A0A087Y8I2_POEFO Loading...

Klotho

AlphaFold DB , UniProt , Accession A0A087Y8I2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 977 aa.

						>A0A087Y8I2_POEFO|A0A087Y8I2
MSGLFALLTFLALSSSDAKPHAGLKTWGRFSKLPYPGDKAFLYDTFPSDFMWAVGTAAYQVEGAFEKDGKGLSIWDTFTRGGNRMATGDVGSDSYHNIHADIRAIRQLGVTHYRFSLSWSRIFPNGTRGSYNEIGTNYYRTLIKRLKEIRVQPVVTLYHWDLPEHLQQSLGGWSNPEMVEIFKDYSDFCFHAFGDDVKYWITIDNPFVVAQHGYGTGVVAPGIKNDPDLPFRVGHNLLKAHAAAWHLYNRHYRPRQQGKLSMALASHWIKPRRTRLESLRECQCSLDHVLGWFARPLFADGDYPPCMRERLGSRLPSFTQEEREQVRGTADFFALSHGATLSFQLINDSLKFGQLEDLDLRMLLYWVNAEYDKPPIFVVQSGWYVLGNTKTEDPKHMYYLKRFIAEALKSIIIDKVNVIGYTAWSLTDGFEWHREYGIRRGLYYVDFNTPDMKREPKTSATFYRNVIHKNGFPELPENRPAQGMFPCDFAWGVSANSIQVETTPTQFADPNVYLWNISNNGELIKLEGLSAPPLHRATHCADYATIRQQVDEIRQVGVNHFHFSLNWSALVPTGDVAYPNTTLLGYYRCFTRQLVQANVTPVVTLWHHTRQRSNLPTPLDTANGWLNSKTPKAFADYARLCYREMGAHVKMWITLNEPNDEMVSYQEGHQMLLAHALAWRAYDQEFRQTQRGRVSLALHMDWVEPAFSFSREDVEPAKRVLDFYVGWLAEPIFGSGDYPVGMRSWLRQLNSLELPVFNEERRQLVRGTYDFFAMSHFSTKLVTHAKEDSYTYTEMLEVQHMIDTTWIMSPRPVVPWGLRKALNWVKQHYSDVPIYVMANGVQEDPARFKDSLRVYYLYNYINEALKAFTLDGVNLKGYFAYALNDQRDPGFGLYGQVHEEVIVKASLSNYRNIIQHNGFPIPGASPQQCPALPQPCPGCHVLIRRPVVGFLTLVGSGVLITLGLIIYYTTKRHKEYY
					

Structure Viewer

Loading PAE data...

(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	41.2	Very low	31.7	Very low	242 Å²	242	150.5 Å²	150.5	100%	1.192	84%	0.835	S	S	*	*				0	69.4	0	-74.9	-178.9	79.9	0	0	109.4
2	S	36.8	Very low	32	Very low	129 Å²	129	144.8 Å²	144.8	90%	0.902	82%	0.821	S	S	*	*			trans	-166.7	97.2	-178.9	12.5	0	0	0	0	105.4
3	G	31.9	Very low	32.2	Very low	71 Å²	71	147.4 Å²	147.4	73%	0.732	83%	0.83	S	S	*	*	S	Bend	trans	165.5	-2.9	-174.2	0	0	0	0	0	117
4	L	30.7	Very low	32	Very low	156 Å²	156	145.3 Å²	145.3	82%	0.817	83%	0.83	S	S	*	*	S	Bend	trans	-113.3	-3.9	179.6	-122	84.7	0	0	0	115.4
5	F	31.1	Very low	32.3	Very low	203 Å²	203	141.1 Å²	141.1	89%	0.89	81%	0.813	S	S	*	*	S	Bend	trans	-100.4	-2.9	-176	-103.1	-84.6	0	0	0	115.1
6	A	29.7	Very low	32.6	Very low	78 Å²	78	137.6 Å²	137.6	65%	0.645	80%	0.8	S	S	*	*	S	Bend	trans	-99.4	-5.5	-178.1	0	0	0	0	0	114.5
7	L	29.1	Very low	33.6	Very low	151 Å²	151	135.3 Å²	135.3	79%	0.791	78%	0.783	S	S	*	*	S	Bend	trans	-103.9	-3.1	-175.7	-122.5	92.1	0	0	0	115
8	L	29.5	Very low	34.8	Very low	157 Å²	157	128.9 Å²	128.9	82%	0.822	75%	0.749	S	S	*	*	S	Bend	trans	-107.1	1.4	-176.2	-89.7	156.9	0	0	0	114.6
9	T	30.5	Very low	36.1	Very low	114 Å²	114	130.9 Å²	130.9	70%	0.699	75%	0.748	S	S	*	*	S	Bend	trans	-108.9	4.8	178	33.5	0	0	0	0	114.5
10	F	28.5	Very low	37.1	Very low	190 Å²	190	127.9 Å²	127.9	83%	0.833	73%	0.733	S	S	*	*	S	Bend	trans	-111.2	13.8	179.2	-99.6	-79.8	0	0	0	114.9
11	L	29.7	Very low	38.8	Very low	165 Å²	165	125.6 Å²	125.6	86%	0.864	72%	0.716	S	S	*	*	S	Bend	trans	-117.3	18.4	179.8	-88.5	163.3	0	0	0	114.5
12	A	35.2	Very low	40.9	Very low	81 Å²	81	115.2 Å²	115.2	67%	0.669	67%	0.669	S	S	*	*	S	Bend	trans	-126.7	128.8	167.8	0	0	0	0	0	109
13	L	35.4	Very low	43.3	Very low	179 Å²	179	109 Å²	109	94%	0.937	63%	0.626	S	S	*	*			trans	88.4	60	-176.6	-53.8	158.5	0	0	0	115.6
14	S	28.5	Very low	46.1	Very low	118 Å²	118	107.6 Å²	107.6	83%	0.825	60%	0.601	S	S	*	*			trans	-105.7	94.2	136.7	64.9	0	0	0	0	107.4	S16	S14-S16 PolarHBondContact O-N 3.4Å
15	S	37	Very low	49	Very low	83 Å²	83	107.6 Å²	107.6	58%	0.58	59%	0.594	S	S	*	*			trans	-59.2	119.7	160.1	51	0	0	0	0	106.7	D17	S15-D17 VanDerWaalsContact C-N 3.3Å; S15-D17 PolarHBondContact O-N 3.22Å
16	S	37.7	Very low	52	Low	85 Å²	85	98 Å²	98	59%	0.594	55%	0.552	S	S	*	*			trans	-64.2	97	167.9	46.7	0	0	0	0	107.5	S14 A18 D372	S14-S16 PolarHBondContact O-N 3.4Å; S16-A18 PolarHBondContact O-N 3.46Å; S16-D372 PolarHBondContact OG-OD2 3.19Å; S16-D372 VanDerWaalsContact OG-OD2 3.06Å
17	D	48.3	Very low	55.1	Low	98 Å²	98	94.8 Å²	94.8	52%	0.524	52%	0.523	S	S	.	.			trans	-57.7	135.4	176.8	-70.4	-28.3	0	0	0	109.8	S15 K19 R327	S15-D17 VanDerWaalsContact C-N 3.3Å; S15-D17 PolarHBondContact O-N 3.22Å; D17-K19 PolarHBondContact O-N 2.95Å; D17-R327 IonicContact OD1-CZ 2.6Å; D17-R327 IonicContact OD1-NH2 3.17Å; D17-R327 PolarHBondContact OD1-NH2 3Å
18	A	55.8	Low	58	Low	20 Å²	20	89.1 Å²	89.1	17%	0.165	50%	0.501	C	S	.	.			trans	-52.2	124.5	172.4	0	0	0	0	0	109.7	S16 P20 A299 D372	S16-A18 PolarHBondContact O-N 3.46Å; A18-P20 WeakPolarHBondContact O-CD 3.48Å; A18-A299 HydrophobicContact CB-CB 4.12Å; A18-D372 HydrophobicContact CB-CB 4.42Å
19	K	59.2	Low	61	Low	168 Å²	168	84.8 Å²	84.8	73%	0.73	47%	0.474	S	S	*	.			trans	-79.6	115.5	-177.9	-67.9	-177.3	-177.5	179.4	0	109.2	D17 H21 A22	D17-K19 PolarHBondContact O-N 2.95Å; K19-H21 PolarHBondContact O-N 2.92Å; K19-A22 WeakPolarHBondContact O-CB 3.23Å; K19-A22 PolarHBondContact O-N 3.38Å
20	P	57	Low	63.9	Low	70 Å²	70	80.2 Å²	80.2	46%	0.455	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	136.8	-177.7	23.1	-32.3	0	0	0	111.3	A18	A18-P20 WeakPolarHBondContact O-CD 3.48Å
21	H	71.5	Confident	66.7	Low	79 Å²	79	75.3 Å²	75.3	37%	0.366	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	17.6	-178.6	-43.8	85	0	0	0	115.5	K19 G23 L24 E370	K19-H21 PolarHBondContact O-N 2.92Å; H21-G23 PolarHBondContact O-N 2.61Å; H21-L24 VanDerWaalsContact O-CB 3.27Å; H21-L24 WeakPolarHBondContact O-CB 3.42Å; H21-L24 PolarHBondContact O-N 3.39Å; H21-E370 WeakPolarHBondContact CA-OE2 3.35Å; H21-E370 PolarHBondContact N-OE1 2.85Å
22	A	85.3	Confident	69.5	Low	24 Å²	24	75.6 Å²	75.6	20%	0.198	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-61.2	-32	172.6	0	0	0	0	0	112.1	K19 L24 K25 A369 E370	K19-A22 WeakPolarHBondContact O-CB 3.23Å; K19-A22 PolarHBondContact O-N 3.38Å; A22-L24 PolarHBondContact O-N 2.83Å; A22-K25 PolarHBondContact O-N 3.16Å; A22-A369 WeakPolarHBondContact CB-O 3.39Å; A22-E370 PolarHBondContact N-OE2 2.96Å; A22-E370 VanDerWaalsContact N-OE2 3.15Å
23	G	88	Confident	72	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-61.9	-24.6	174.8	0	0	0	0	0	114	H21 K25 T26 W366 E370	H21-G23 PolarHBondContact O-N 2.61Å; G23-K25 PolarHBondContact O-N 2.87Å; G23-T26 WeakPolarHBondContact O-CB 3.39Å; G23-T26 PolarHBondContact O-N 2.84Å; G23-T26 PolarHBondContact O-OG1 2.87Å; G23-W366 VanDerWaalsContact C-CD1 3.49Å; G23-W366 VanDerWaalsContact CA-CD1 3.49Å; G23-W366 VanDerWaalsContact O-CD1 3.25Å; G23-E370 WeakPolarHBondContact CA-OE2 3.45Å; G23-E370 PolarHBondContact N-OE2 3.36Å
24	L	91	Very high	74.4	Confident	41 Å²	41	69.2 Å²	69.2	22%	0.215	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-57.5	-26.9	176.1	-170.3	70.2	0	0	0	112.7	H21 A22 T26 W27 L276 L279 Q283	H21-L24 VanDerWaalsContact O-CB 3.27Å; H21-L24 WeakPolarHBondContact O-CB 3.42Å; H21-L24 PolarHBondContact O-N 3.39Å; A22-L24 PolarHBondContact O-N 2.83Å; L24-T26 PolarHBondContact O-N 3.33Å; L24-W27 HydrophobicContact CD1-CE3 4.21Å; L24-W27 HydrophobicContact CD1-CZ3 3.95Å; L24-L276 HydrophobicContact CD2-CD1 4.46Å; L24-L279 HydrophobicContact CD1-CB 3.91Å; L24-L279 WeakPolarHBondContact CD1-O 3.28Å; L24-Q283 HydrophobicContact CD1-CB 3.87Å; L24-Q283 HydrophobicContact CD1-CG 4.46Å
25	K	91.4	Very high	77	Confident	156 Å²	156	66.7 Å²	66.7	68%	0.678	36%	0.362	S	S	*	.	H	α-helix	trans	-71.5	-15.2	178.2	-62.6	177.5	-177.7	175.7	0	113.1	A22 G23 W27 G28 R29	A22-K25 PolarHBondContact O-N 3.16Å; G23-K25 PolarHBondContact O-N 2.87Å; K25-W27 PolarHBondContact O-N 2.86Å; K25-G28 PolarHBondContact O-N 2.87Å; K25-R29 PolarHBondContact O-N 3.12Å
26	T	94.3	Very high	79.4	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-56.8	-53.3	-177.3	-58	0	0	0	0	111.5	G23 L24 G28 R29 F30 W268 M362 Y365 W366	G23-T26 WeakPolarHBondContact O-CB 3.39Å; G23-T26 PolarHBondContact O-N 2.84Å; G23-T26 PolarHBondContact O-OG1 2.87Å; L24-T26 PolarHBondContact O-N 3.33Å; T26-G28 VanDerWaalsContact C-N 3.29Å; T26-G28 PolarHBondContact O-N 3.34Å; T26-R29 PolarHBondContact O-N 3.35Å; T26-R29 VanDerWaalsContact O-N 3.16Å; T26-F30 HydrophobicContact CG2-CD2 3.87Å; T26-F30 HydrophobicContact CG2-CE2 3.97Å; T26-F30 WeakPolarHBondContact O-CD2 3.22Å; T26-F30 PolarHBondContact O-N 3.43Å; T26-W268 HydrophobicContact CG2-CH2 3.85Å; T26-W268 HydrophobicContact CG2-CZ2 4.29Å; T26-M362 HydrophobicContact CG2-CB 4.33Å; T26-M362 HydrophobicContact CG2-CE 4.28Å; T26-Y365 HydrophobicContact CG2-CD1 3.73Å; T26-Y365 HydrophobicContact CG2-CE1 4.48Å; T26-Y365 WeakPolarHBondContact OG1-CD1 3.39Å; T26-W366 HydrophobicContact CG2-CB 4.3Å
27	W	94.2	Very high	81.6	Confident	12 Å²	12	61.3 Å²	61.3	5%	0.045	33%	0.331	C	S	.	.	H	α-helix	trans	-59	-40.5	179.1	-63.7	-78.8	0	0	0	112.6	L24 K25 S31 W268 I269 L279 C282 Q283 L286	L24-W27 HydrophobicContact CD1-CE3 4.21Å; L24-W27 HydrophobicContact CD1-CZ3 3.95Å; K25-W27 PolarHBondContact O-N 2.86Å; W27-S31 WeakPolarHBondContact O-CB 3.2Å; W27-S31 PolarHBondContact O-N 2.88Å; W27-S31 VanDerWaalsContact O-N 3.12Å; W27-S31 PolarHBondContact O-OG 3Å; W27-W268 AromaticContact CE2-CH2 3.87Å; W27-W268 AromaticContact CE2-CZ2 3.82Å; W27-W268 AromaticContact CZ2-CH2 3.79Å; W27-W268 HydrophobicContact CZ2-CH2 3.79Å; W27-W268 HydrophobicContact CZ2-CZ2 4.11Å; W27-W268 HydrophobicContact CZ2-CZ3 4.36Å; W27-W268 AromaticContact NE1-CH2 3.96Å; W27-W268 AromaticContact NE1-CZ2 3.41Å; W27-I269 HydrophobicContact CZ2-CG2 4.12Å; W27-I269 PolarHBondContact NE1-O 2.8Å; W27-L279 HydrophobicContact CB-CD2 3.49Å; W27-L279 VanDerWaalsContact CB-CD2 3.49Å; W27-L279 HydrophobicContact CD2-CD2 4.06Å; W27-L279 HydrophobicContact CE3-CD2 4.27Å; W27-L279 HydrophobicContact CG-CD2 3.73Å; W27-C282 HydrophobicContact CH2-CB 3.76Å; W27-C282 HydrophobicContact CZ2-CB 3.47Å; W27-C282 VanDerWaalsContact CZ2-CB 3.47Å; W27-C282 HydrophobicContact CZ3-CB 4.38Å; W27-Q283 HydrophobicContact CH2-CB 4.3Å; W27-Q283 HydrophobicContact CZ3-CB 4.21Å; W27-L286 HydrophobicContact CH2-CD1 3.81Å; W27-L286 HydrophobicContact CZ2-CD1 3.89Å
28	G	91	Very high	83.3	Confident	31 Å²	31	57.3 Å²	57.3	32%	0.32	31%	0.31	S	S	.	.	H	α-helix	trans	-70.6	-29.5	178.4	0	0	0	0	0	114.4	K25 T26 S31 K32	K25-G28 PolarHBondContact O-N 2.87Å; T26-G28 VanDerWaalsContact C-N 3.29Å; T26-G28 PolarHBondContact O-N 3.34Å; G28-S31 PolarHBondContact O-OG 2.86Å; G28-S31 VanDerWaalsContact O-OG 3.14Å; G28-K32 WeakPolarHBondContact O-CD 3.36Å; G28-K32 WeakPolarHBondContact O-CG 3.42Å
29	R	91.8	Very high	84.8	Confident	66 Å²	66	59.6 Å²	59.6	25%	0.249	32%	0.316	C	S	.	.	H	α-helix	trans	-71.5	-53.5	172.8	175.5	-175	177.6	-85.5	1.7	110.7	K25 T26 S31 K32 L33 Y365 D414	K25-R29 PolarHBondContact O-N 3.12Å; T26-R29 PolarHBondContact O-N 3.35Å; T26-R29 VanDerWaalsContact O-N 3.16Å; R29-S31 VanDerWaalsContact C-N 3.28Å; R29-S31 PolarHBondContact O-N 3.03Å; R29-K32 PolarHBondContact O-N 2.71Å; R29-L33 PolarHBondContact O-N 3.01Å; R29-Y365 VanDerWaalsContact CD-OH 3.29Å; R29-Y365 WeakPolarHBondContact CD-OH 3.38Å; R29-D414 IonicContact CZ-OD1 3.88Å; R29-D414 VanDerWaalsContact CZ-OD1 3.26Å; R29-D414 IonicContact NH1-OD1 2.59Å; R29-D414 PolarHBondContact NH1-OD1 3.24Å; R29-D414 IonicContact NH2-OD1 3.66Å; R29-D414 PolarHBondContact NH2-OD1 3.49Å
30	F	91.8	Very high	86.1	Confident	18 Å²	18	52.3 Å²	52.3	8%	0.079	29%	0.288	C	S	.	.	H	α-helix	trans	-68.2	-27	-173.1	-84.2	-99	0	0	0	112.9	T26 K32 L33 R361 M362 Y365	T26-F30 HydrophobicContact CG2-CD2 3.87Å; T26-F30 HydrophobicContact CG2-CE2 3.97Å; T26-F30 WeakPolarHBondContact O-CD2 3.22Å; T26-F30 PolarHBondContact O-N 3.43Å; F30-K32 PolarHBondContact O-N 3.37Å; F30-L33 HydrophobicContact CB-CD1 4.41Å; F30-L33 HydrophobicContact CD1-CD1 3.5Å; F30-L33 HydrophobicContact CE1-CD1 3.9Å; F30-L33 HydrophobicContact CG-CD1 3.98Å; F30-L33 PolarHBondContact O-N 2.97Å; F30-R361 HydrophobicContact CE1-CG 3.99Å; F30-R361 HydrophobicContact CZ-CG 4.12Å; F30-M362 HydrophobicContact CB-CE 3.64Å; F30-M362 HydrophobicContact CB-CG 4.4Å; F30-M362 HydrophobicContact CB-SD 4.24Å; F30-M362 HydrophobicContact CD1-CG 3.55Å; F30-M362 HydrophobicContact CD1-SD 4.29Å; F30-M362 HydrophobicContact CD2-CE 4.29Å; F30-M362 HydrophobicContact CD2-CG 4.1Å; F30-M362 HydrophobicContact CE1-CG 3.7Å; F30-M362 HydrophobicContact CE2-CG 4.22Å; F30-M362 HydrophobicContact CG-CE 3.94Å; F30-M362 HydrophobicContact CG-CG 3.76Å; F30-M362 HydrophobicContact CG-SD 4.25Å; F30-M362 HydrophobicContact CZ-CG 4.03Å; F30-Y365 AromaticContact CE2-CD1 3.81Å; F30-Y365 HydrophobicContact CE2-CD1 3.81Å; F30-Y365 HydrophobicContact CE2-CD2 4.34Å; F30-Y365 AromaticContact CE2-CG 3.7Å; F30-Y365 HydrophobicContact CE2-CG 3.7Å; F30-Y365 HydrophobicContact CZ-CG 4.27Å
31	S	87.9	Confident	87.7	Confident	88 Å²	88	50.8 Å²	50.8	62%	0.615	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-15	172	65	0	0	0	0	114.2	W27 G28 R29	W27-S31 WeakPolarHBondContact O-CB 3.2Å; W27-S31 PolarHBondContact O-N 2.88Å; W27-S31 VanDerWaalsContact O-N 3.12Å; W27-S31 PolarHBondContact O-OG 3Å; G28-S31 PolarHBondContact O-OG 2.86Å; G28-S31 VanDerWaalsContact O-OG 3.14Å; R29-S31 VanDerWaalsContact C-N 3.28Å; R29-S31 PolarHBondContact O-N 3.03Å
32	K	88.2	Confident	88.6	Confident	170 Å²	170	49 Å²	49	74%	0.739	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-4.1	-178.7	-64	177.7	-176.5	-178.6	0	113.7	G28 R29 F30	G28-K32 WeakPolarHBondContact O-CD 3.36Å; G28-K32 WeakPolarHBondContact O-CG 3.42Å; R29-K32 PolarHBondContact O-N 2.71Å; F30-K32 PolarHBondContact O-N 3.37Å
33	L	87.3	Confident	89	Confident	30 Å²	30	52.1 Å²	52.1	16%	0.157	27%	0.274	C	S	.	.	S	Bend	trans	-62.1	150.5	180	-71.8	178.4	0	0	0	111.4	R29 F30 Y35 D38	R29-L33 PolarHBondContact O-N 3.01Å; F30-L33 HydrophobicContact CB-CD1 4.41Å; F30-L33 HydrophobicContact CD1-CD1 3.5Å; F30-L33 HydrophobicContact CE1-CD1 3.9Å; F30-L33 HydrophobicContact CG-CD1 3.98Å; F30-L33 PolarHBondContact O-N 2.97Å; L33-Y35 PolarHBondContact O-N 2.89Å; L33-Y35 VanDerWaalsContact O-N 3.1Å; L33-D38 HydrophobicContact CB-CB 3.78Å; L33-D38 HydrophobicContact CD1-CB 4.18Å
34	P	84.5	Confident	89.3	Confident	97 Å²	97	54.7 Å²	54.7	63%	0.63	29%	0.288	S	S	*	.			trans	-69	109.2	-178.5	28	-34	0	0	0	110.4	G37 D38	P34-G37 PolarHBondContact O-N 3.49Å; P34-G37 VanDerWaalsContact O-N 3.14Å; P34-D38 PolarHBondContact O-N 3.45Å
35	Y	84.7	Confident	89.6	Confident	64 Å²	64	55.6 Å²	55.6	25%	0.251	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	143.3	173.2	-177.4	-102.2	0	0	0	110.4	L33 D38 K39 I807 S851 L852	L33-Y35 PolarHBondContact O-N 2.89Å; L33-Y35 VanDerWaalsContact O-N 3.1Å; Y35-D38 WeakPolarHBondContact CA-OD1 3.19Å; Y35-K39 HydrophobicContact CD2-CG 4.08Å; Y35-K39 HydrophobicContact CE2-CB 4.44Å; Y35-K39 HydrophobicContact CE2-CG 4.15Å; Y35-I807 HydrophobicContact CE2-CG2 4.43Å; Y35-S851 VanDerWaalsContact O-CB 3.24Å; Y35-S851 WeakPolarHBondContact O-CB 3.33Å; Y35-S851 PolarHBondContact O-OG 3.05Å; Y35-S851 VanDerWaalsContact O-OG 3.1Å; Y35-L852 HydrophobicContact CE1-CB 3.8Å; Y35-L852 HydrophobicContact CE1-CD1 4.43Å; Y35-L852 HydrophobicContact CE1-CD2 4.47Å; Y35-L852 HydrophobicContact CE1-CG 4.47Å
36	P	85.9	Confident	89.9	Confident	7 Å²	7	48.4 Å²	48.4	5%	0.045	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	cis	-87	3.5	-3.9	38.8	-39.9	0	0	0	114.6	D38 K39 A40 I807 S851 L852 Y855	P36-D38 VanDerWaalsContact C-N 3.26Å; P36-D38 PolarHBondContact O-N 3.26Å; P36-K39 CarbonylContact O-C 3.52Å; P36-K39 PolarHBondContact O-N 2.96Å; P36-A40 PolarHBondContact O-N 2.92Å; P36-I807 HydrophobicContact CB-CD1 3.9Å; P36-I807 HydrophobicContact CB-CG2 4.27Å; P36-S851 WeakPolarHBondContact CD-O 3.47Å; P36-L852 HydrophobicContact CB-CD1 3.78Å; P36-L852 HydrophobicContact CG-CD1 3.97Å; P36-Y855 HydrophobicContact CG-CD1 4.08Å; P36-Y855 HydrophobicContact CG-CD2 4.18Å; P36-Y855 HydrophobicContact CG-CG 3.68Å
37	G	84.2	Confident	90.1	Very high	48 Å²	48	50.7 Å²	50.7	50%	0.495	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-34.6	-175.1	0	0	0	0	0	114.3	P34 K39	P34-G37 PolarHBondContact O-N 3.49Å; P34-G37 VanDerWaalsContact O-N 3.14Å; G37-K39 VanDerWaalsContact C-N 3.29Å; G37-K39 PolarHBondContact O-N 3.46Å
38	D	84.1	Confident	90.2	Very high	14 Å²	14	56 Å²	56	8%	0.075	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-25.6	176.2	76.3	-60	0	0	0	113.7	L33 P34 Y35 P36 R361	L33-D38 HydrophobicContact CB-CB 3.78Å; L33-D38 HydrophobicContact CD1-CB 4.18Å; P34-D38 PolarHBondContact O-N 3.45Å; Y35-D38 WeakPolarHBondContact CA-OD1 3.19Å; P36-D38 VanDerWaalsContact C-N 3.26Å; P36-D38 PolarHBondContact O-N 3.26Å; D38-R361 PolarHBondContact O-NH1 2.81Å
39	K	87.1	Confident	90.4	Very high	68 Å²	68	60.8 Å²	60.8	30%	0.296	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-22.2	179	-63.7	-55.6	178.9	-175.8	0	113.3	Y35 P36 G37 D359 K409 I807	Y35-K39 HydrophobicContact CD2-CG 4.08Å; Y35-K39 HydrophobicContact CE2-CB 4.44Å; Y35-K39 HydrophobicContact CE2-CG 4.15Å; P36-K39 CarbonylContact O-C 3.52Å; P36-K39 PolarHBondContact O-N 2.96Å; G37-K39 VanDerWaalsContact C-N 3.29Å; G37-K39 PolarHBondContact O-N 3.46Å; K39-D359 IonicContact NZ-OD2 3.95Å; K39-K409 PolarHBondContact O-NZ 3.49Å; K39-I807 HydrophobicContact CB-CG1 4.37Å
40	A	88.1	Confident	90.7	Very high	16 Å²	16	58 Å²	58	13%	0.132	33%	0.326	C	S	.	.	S	Bend	trans	-52.5	148.2	174.4	0	0	0	0	0	111.8	P36 L42 K409 I807	P36-A40 PolarHBondContact O-N 2.92Å; A40-L42 PolarHBondContact O-N 2.89Å; A40-K409 WeakPolarHBondContact O-CE 3.2Å; A40-K409 PolarHBondContact O-NZ 2.85Å; A40-I807 HydrophobicContact CB-CD1 3.85Å
41	F	89.3	Confident	91	Very high	38 Å²	38	57.8 Å²	57.8	17%	0.167	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-66.8	130.5	176.3	-169.8	-97.3	0	0	0	109.7	Y43 A405 F472 T805	F41-Y43 AromaticContact CD1-CD1 3.87Å; F41-Y43 HydrophobicContact CD1-CD1 3.87Å; F41-Y43 HydrophobicContact CD1-CD2 4.23Å; F41-Y43 AromaticContact CD1-CE1 3.59Å; F41-Y43 HydrophobicContact CD1-CE1 3.59Å; F41-Y43 AromaticContact CD1-CE2 4Å; F41-Y43 HydrophobicContact CD1-CE2 4Å; F41-Y43 HydrophobicContact CD1-CG 4.17Å; F41-Y43 AromaticContact CD1-CZ 3.66Å; F41-Y43 AromaticContact CE1-CD1 3.77Å; F41-Y43 HydrophobicContact CE1-CD1 3.77Å; F41-Y43 AromaticContact CE1-CE1 3.64Å; F41-Y43 HydrophobicContact CE1-CE1 3.64Å; F41-Y43 HydrophobicContact CE1-CG 4.4Å; F41-A405 HydrophobicContact CD2-CB 4.31Å; F41-A405 HydrophobicContact CE2-CB 3.71Å; F41-A405 HydrophobicContact CZ-CB 4.46Å; F41-F472 HydrophobicContact CE1-CB 3.79Å; F41-F472 HydrophobicContact CE1-CD1 4.35Å; F41-F472 HydrophobicContact CE1-CD2 4.28Å; F41-F472 AromaticContact CE1-CG 3.91Å; F41-F472 HydrophobicContact CE1-CG 3.91Å; F41-F472 HydrophobicContact CZ-CB 3.98Å; F41-F472 AromaticContact CZ-CD1 3.78Å; F41-F472 HydrophobicContact CZ-CD1 3.78Å; F41-F472 AromaticContact CZ-CD2 3.7Å; F41-F472 HydrophobicContact CZ-CD2 3.7Å; F41-F472 HydrophobicContact CZ-CE1 4.14Å; F41-F472 HydrophobicContact CZ-CE2 4.07Å; F41-F472 AromaticContact CZ-CG 3.54Å; F41-F472 HydrophobicContact CZ-CG 3.54Å; F41-F472 HydrophobicContact CZ-CZ 4.27Å; F41-T805 HydrophobicContact CD2-CG2 4.26Å; F41-T805 HydrophobicContact CE2-CG2 4.14Å
42	L	90.9	Very high	91.6	Very high	42 Å²	42	53.9 Å²	53.9	22%	0.22	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-94.6	116.9	179.3	177.6	63	0	0	0	109.1	A40 D44 L408 K409 I412 I413	A40-L42 PolarHBondContact O-N 2.89Å; L42-D44 HydrophobicContact CD1-CB 4.41Å; L42-D44 HydrophobicContact CD2-CB 4.37Å; L42-D44 HydrophobicContact CG-CB 4.06Å; L42-L408 HydrophobicContact CD2-CG 4.26Å; L42-K409 HydrophobicContact CB-CG 3.97Å; L42-K409 HydrophobicContact CD2-CG 4.1Å; L42-I412 HydrophobicContact CD2-CB 3.86Å; L42-I412 HydrophobicContact CD2-CG1 4.19Å; L42-I412 HydrophobicContact CD2-CG2 4.01Å; L42-I413 HydrophobicContact CD2-CD1 4.3Å; L42-I413 HydrophobicContact CD2-CG1 4.29Å
43	Y	92.8	Very high	92.1	Very high	88 Å²	88	45.8 Å²	45.8	35%	0.345	26%	0.262	S	S	.	.			trans	-89	102.3	170.2	-64.1	-77	0	0	0	109.6	F41 F472 E474 N478	F41-Y43 AromaticContact CD1-CD1 3.87Å; F41-Y43 HydrophobicContact CD1-CD1 3.87Å; F41-Y43 HydrophobicContact CD1-CD2 4.23Å; F41-Y43 AromaticContact CD1-CE1 3.59Å; F41-Y43 HydrophobicContact CD1-CE1 3.59Å; F41-Y43 AromaticContact CD1-CE2 4Å; F41-Y43 HydrophobicContact CD1-CE2 4Å; F41-Y43 HydrophobicContact CD1-CG 4.17Å; F41-Y43 AromaticContact CD1-CZ 3.66Å; F41-Y43 AromaticContact CE1-CD1 3.77Å; F41-Y43 HydrophobicContact CE1-CD1 3.77Å; F41-Y43 AromaticContact CE1-CE1 3.64Å; F41-Y43 HydrophobicContact CE1-CE1 3.64Å; F41-Y43 HydrophobicContact CE1-CG 4.4Å; Y43-F472 CarbonylContact C-O 3.49Å; Y43-F472 VanDerWaalsContact C-O 3.23Å; Y43-F472 WeakPolarHBondContact CA-O 3.21Å; Y43-F472 WeakPolarHBondContact CB-O 3.25Å; Y43-F472 HydrophobicContact CD1-CB 4.47Å; Y43-E474 HydrophobicContact CG-CB 4.39Å; Y43-E474 HydrophobicContact CG-CG 4.38Å; Y43-N478 WeakPolarHBondContact CE1-ND2 3.39Å; Y43-N478 HydrophobicContact CE2-CB 4.5Å; Y43-N478 VanDerWaalsContact CZ-ND2 3.31Å; Y43-N478 PolarHBondContact OH-ND2 3.24Å
44	D	95.3	Very high	92.6	Very high	55 Å²	55	44.4 Å²	44.4	29%	0.294	25%	0.254	S	S	.	.			trans	-157.3	175.3	179.1	-147.7	-28.2	0	0	0	110.5	L42 L408 F472	L42-D44 HydrophobicContact CD1-CB 4.41Å; L42-D44 HydrophobicContact CD2-CB 4.37Å; L42-D44 HydrophobicContact CG-CB 4.06Å; D44-L408 HydrophobicContact CB-CD1 4.49Å; D44-L408 HydrophobicContact CB-CD2 4.08Å; D44-F472 PolarHBondContact N-O 3.03Å; D44-F472 CarbonylContact O-C 3.55Å; D44-F472 PolarHBondContact O-N 2.56Å
45	T	97.2	Very high	93.3	Very high	59 Å²	59	39.8 Å²	39.8	36%	0.362	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-111.7	149.1	175.8	54.4	0	0	0	0	111.5	N470 P473	T45-N470 CarbonylContact C-O 3.59Å; T45-N470 VanDerWaalsContact CA-O 3.24Å; T45-N470 WeakPolarHBondContact CA-O 3.13Å; T45-N470 WeakPolarHBondContact CB-O 3.04Å; T45-P473 HydrophobicContact CG2-CB 4.33Å
46	F	98.3	Very high	93.9	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.026	21%	0.213	C	C	.	.			trans	-70.4	164.9	171.9	-74.6	-97.7	0	0	0	111	F50 W52 I404 L408 I411 N470	F46-F50 HydrophobicContact CB-CB 3.94Å; F46-F50 HydrophobicContact CB-CD1 4.13Å; F46-F50 HydrophobicContact CB-CD2 4.34Å; F46-F50 HydrophobicContact CB-CG 3.89Å; F46-F50 AromaticContact CD1-CD1 3.89Å; F46-F50 HydrophobicContact CD1-CD1 3.89Å; F46-F50 AromaticContact CD1-CD2 3.75Å; F46-F50 HydrophobicContact CD1-CD2 3.75Å; F46-F50 AromaticContact CD1-CE1 3.72Å; F46-F50 HydrophobicContact CD1-CE1 3.72Å; F46-F50 AromaticContact CD1-CE2 3.57Å; F46-F50 HydrophobicContact CD1-CE2 3.57Å; F46-F50 AromaticContact CD1-CG 3.89Å; F46-F50 HydrophobicContact CD1-CG 3.89Å; F46-F50 AromaticContact CD1-CZ 3.55Å; F46-F50 HydrophobicContact CD1-CZ 3.55Å; F46-F50 AromaticContact CE1-CE1 3.97Å; F46-F50 HydrophobicContact CE1-CE1 3.97Å; F46-F50 AromaticContact CE1-CE2 3.97Å; F46-F50 HydrophobicContact CE1-CE2 3.97Å; F46-F50 AromaticContact CE1-CZ 3.62Å; F46-F50 HydrophobicContact CE1-CZ 3.62Å; F46-F50 HydrophobicContact CG-CD1 4.11Å; F46-F50 HydrophobicContact CG-CD2 4.45Å; F46-F50 HydrophobicContact CG-CE1 4.27Å; F46-F50 HydrophobicContact CG-CG 4.19Å; F46-W52 HydrophobicContact CB-CZ2 4.35Å; F46-W52 AromaticContact CD2-CH2 3.76Å; F46-W52 HydrophobicContact CD2-CH2 3.76Å; F46-W52 AromaticContact CD2-CZ2 3.46Å; F46-W52 HydrophobicContact CD2-CZ2 3.46Å; F46-W52 VanDerWaalsContact CD2-CZ2 3.46Å; F46-W52 AromaticContact CE2-CH2 3.55Å; F46-W52 HydrophobicContact CE2-CH2 3.55Å; F46-W52 AromaticContact CE2-CZ2 3.79Å; F46-W52 HydrophobicContact CE2-CZ2 3.79Å; F46-W52 HydrophobicContact CG-CH2 4.33Å; F46-W52 AromaticContact CG-CZ2 3.87Å; F46-W52 HydrophobicContact CG-CZ2 3.87Å; F46-W52 AromaticContact CZ-CH2 3.95Å; F46-W52 HydrophobicContact CZ-CH2 3.95Å; F46-W52 HydrophobicContact CZ-CZ2 4.44Å; F46-I404 HydrophobicContact CE2-CG2 3.76Å; F46-I404 HydrophobicContact CZ-CG2 3.71Å; F46-L408 HydrophobicContact CD1-CD1 4.17Å; F46-L408 HydrophobicContact CD2-CD1 3.85Å; F46-L408 HydrophobicContact CE1-CB 4.1Å; F46-L408 HydrophobicContact CE1-CD1 4.21Å; F46-L408 HydrophobicContact CE2-CB 3.87Å; F46-L408 HydrophobicContact CE2-CD1 3.88Å; F46-L408 HydrophobicContact CE2-CD2 4.26Å; F46-L408 HydrophobicContact CE2-CG 4.22Å; F46-L408 HydrophobicContact CG-CD1 4.01Å; F46-L408 HydrophobicContact CZ-CB 3.55Å; F46-L408 HydrophobicContact CZ-CD1 4.08Å; F46-L408 HydrophobicContact CZ-CG 4.31Å; F46-I411 HydrophobicContact CD1-CD1 3.52Å; F46-I411 HydrophobicContact CE1-CD1 3.67Å; F46-N470 PolarHBondContact N-O 3.15Å; F46-N470 PolarHBondContact O-ND2 2.63Å
47	P	97.3	Very high	94.5	Very high	48 Å²	48	36.6 Å²	36.6	31%	0.312	21%	0.211	S	C	.	.			trans	-50.2	149.1	169	-27.1	35.9	0	0	0	112.2	D49 F50 I411 N470	P47-D49 WeakPolarHBondContact CB-OD1 3.43Å; P47-D49 PolarHBondContact O-N 2.98Å; P47-F50 WeakPolarHBondContact O-CB 3.42Å; P47-F50 PolarHBondContact O-N 2.63Å; P47-F50 VanDerWaalsContact O-N 3.13Å; P47-I411 HydrophobicContact CG-CG2 4.3Å; P47-N470 PolarHBondContact O-ND2 3.12Å
48	S	95.9	Very high	95.2	Very high	123 Å²	123	34.5 Å²	34.5	86%	0.86	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-24.8	-175.4	52.2	0	0	0	0	113.9
49	D	95.8	Very high	95.9	Very high	131 Å²	131	34.5 Å²	34.5	70%	0.701	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	10.9	178.2	63.6	-29.6	0	0	0	113	P47 M51	P47-D49 WeakPolarHBondContact CB-OD1 3.43Å; P47-D49 PolarHBondContact O-N 2.98Å; D49-M51 PolarHBondContact O-N 3.36Å
50	F	98.5	Very high	96.4	Very high	9 Å²	9	31.4 Å²	31.4	4%	0.039	18%	0.175	C	C	.	.			trans	-62.9	131.1	-178.5	-169.6	-99.2	0	0	0	112.2	F46 P47 W52 I411 V418	F46-F50 HydrophobicContact CB-CB 3.94Å; F46-F50 HydrophobicContact CB-CD1 4.13Å; F46-F50 HydrophobicContact CB-CD2 4.34Å; F46-F50 HydrophobicContact CB-CG 3.89Å; F46-F50 AromaticContact CD1-CD1 3.89Å; F46-F50 HydrophobicContact CD1-CD1 3.89Å; F46-F50 AromaticContact CD1-CD2 3.75Å; F46-F50 HydrophobicContact CD1-CD2 3.75Å; F46-F50 AromaticContact CD1-CE1 3.72Å; F46-F50 HydrophobicContact CD1-CE1 3.72Å; F46-F50 AromaticContact CD1-CE2 3.57Å; F46-F50 HydrophobicContact CD1-CE2 3.57Å; F46-F50 AromaticContact CD1-CG 3.89Å; F46-F50 HydrophobicContact CD1-CG 3.89Å; F46-F50 AromaticContact CD1-CZ 3.55Å; F46-F50 HydrophobicContact CD1-CZ 3.55Å; F46-F50 AromaticContact CE1-CE1 3.97Å; F46-F50 HydrophobicContact CE1-CE1 3.97Å; F46-F50 AromaticContact CE1-CE2 3.97Å; F46-F50 HydrophobicContact CE1-CE2 3.97Å; F46-F50 AromaticContact CE1-CZ 3.62Å; F46-F50 HydrophobicContact CE1-CZ 3.62Å; F46-F50 HydrophobicContact CG-CD1 4.11Å; F46-F50 HydrophobicContact CG-CD2 4.45Å; F46-F50 HydrophobicContact CG-CE1 4.27Å; F46-F50 HydrophobicContact CG-CG 4.19Å; P47-F50 WeakPolarHBondContact O-CB 3.42Å; P47-F50 PolarHBondContact O-N 2.63Å; P47-F50 VanDerWaalsContact O-N 3.13Å; F50-W52 AromaticContact CD1-CD2 3.92Å; F50-W52 HydrophobicContact CD1-CD2 3.92Å; F50-W52 AromaticContact CD1-CE2 3.61Å; F50-W52 HydrophobicContact CD1-CE3 4.42Å; F50-W52 HydrophobicContact CD1-CG 4.29Å; F50-W52 HydrophobicContact CD1-CH2 4.41Å; F50-W52 AromaticContact CD1-CZ2 3.9Å; F50-W52 HydrophobicContact CD1-CZ2 3.9Å; F50-W52 AromaticContact CD1-NE1 3.77Å; F50-W52 HydrophobicContact CE1-CD2 4.05Å; F50-W52 AromaticContact CE1-CE2 3.98Å; F50-W52 HydrophobicContact CE1-CE3 4.07Å; F50-W52 HydrophobicContact CE1-CH2 4.03Å; F50-W52 AromaticContact CE1-CZ2 3.99Å; F50-W52 HydrophobicContact CE1-CZ2 3.99Å; F50-W52 HydrophobicContact CE1-CZ3 4.07Å; F50-W52 PolarHBondContact O-N 3.47Å; F50-I411 HydrophobicContact CD2-CD1 4.41Å; F50-I411 HydrophobicContact CE2-CD1 3.94Å; F50-V418 HydrophobicContact CE2-CG1 4.13Å; F50-V418 WeakPolarHBondContact CE2-O 3.35Å; F50-V418 HydrophobicContact CZ-CG1 4.47Å
51	M	98.6	Very high	96.8	Very high	12 Å²	12	30.9 Å²	30.9	6%	0.059	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	101.2	-176.6	-57.9	-176.6	-68.7	0	0	111.3	D49 H112 Y199 F377 I419 G420 Y421	D49-M51 PolarHBondContact O-N 3.36Å; M51-H112 VanDerWaalsContact CG-CE1 3.45Å; M51-H112 WeakPolarHBondContact CG-CE1 3.33Å; M51-Y199 HydrophobicContact CE-CE1 4.28Å; M51-Y199 HydrophobicContact SD-CE1 4.25Å; M51-Y199 HydrophobicContact SD-CE2 3.82Å; M51-Y199 VanDerWaalsContact SD-CZ 3.58Å; M51-Y199 PolarHBondContact SD-OH 3.42Å; M51-Y199 VanDerWaalsContact SD-OH 3.41Å; M51-F377 HydrophobicContact CE-CD1 3.92Å; M51-F377 HydrophobicContact CE-CD2 4.45Å; M51-F377 HydrophobicContact CE-CE1 4.09Å; M51-F377 HydrophobicContact CE-CG 4.12Å; M51-F377 HydrophobicContact CE-CZ 4.44Å; M51-I419 HydrophobicContact CE-CB 4.11Å; M51-I419 HydrophobicContact CE-CD1 3.65Å; M51-I419 HydrophobicContact CE-CG1 3.68Å; M51-I419 WeakPolarHBondContact CE-O 3.48Å; M51-I419 PolarHBondContact N-O 3.03Å; M51-G420 CarbonylContact O-C 3.52Å; M51-G420 WeakPolarHBondContact O-CA 3.28Å; M51-Y421 PolarHBondContact O-N 3.05Å
52	W	98.8	Very high	97.3	Very high	7 Å²	7	29.4 Å²	29.4	3%	0.027	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	120.9	168.8	-67.1	105.1	0	0	0	111.1	F46 F50 T111 H112 I404 Y421 Y463 V466 I467 N470	F46-W52 HydrophobicContact CB-CZ2 4.35Å; F46-W52 AromaticContact CD2-CH2 3.76Å; F46-W52 HydrophobicContact CD2-CH2 3.76Å; F46-W52 AromaticContact CD2-CZ2 3.46Å; F46-W52 HydrophobicContact CD2-CZ2 3.46Å; F46-W52 VanDerWaalsContact CD2-CZ2 3.46Å; F46-W52 AromaticContact CE2-CH2 3.55Å; F46-W52 HydrophobicContact CE2-CH2 3.55Å; F46-W52 AromaticContact CE2-CZ2 3.79Å; F46-W52 HydrophobicContact CE2-CZ2 3.79Å; F46-W52 HydrophobicContact CG-CH2 4.33Å; F46-W52 AromaticContact CG-CZ2 3.87Å; F46-W52 HydrophobicContact CG-CZ2 3.87Å; F46-W52 AromaticContact CZ-CH2 3.95Å; F46-W52 HydrophobicContact CZ-CH2 3.95Å; F46-W52 HydrophobicContact CZ-CZ2 4.44Å; F50-W52 AromaticContact CD1-CD2 3.92Å; F50-W52 HydrophobicContact CD1-CD2 3.92Å; F50-W52 AromaticContact CD1-CE2 3.61Å; F50-W52 HydrophobicContact CD1-CE3 4.42Å; F50-W52 HydrophobicContact CD1-CG 4.29Å; F50-W52 HydrophobicContact CD1-CH2 4.41Å; F50-W52 AromaticContact CD1-CZ2 3.9Å; F50-W52 HydrophobicContact CD1-CZ2 3.9Å; F50-W52 AromaticContact CD1-NE1 3.77Å; F50-W52 HydrophobicContact CE1-CD2 4.05Å; F50-W52 AromaticContact CE1-CE2 3.98Å; F50-W52 HydrophobicContact CE1-CE3 4.07Å; F50-W52 HydrophobicContact CE1-CH2 4.03Å; F50-W52 AromaticContact CE1-CZ2 3.99Å; F50-W52 HydrophobicContact CE1-CZ2 3.99Å; F50-W52 HydrophobicContact CE1-CZ3 4.07Å; F50-W52 PolarHBondContact O-N 3.47Å; W52-T111 PolarHBondContact N-OG1 2.96Å; W52-T111 VanDerWaalsContact N-OG1 3.14Å; W52-T111 PolarHBondContact O-N 3.22Å; W52-T111 PolarHBondContact O-OG1 2.87Å; W52-H112 PolarHBondContact O-N 3.18Å; W52-H112 VanDerWaalsContact O-N 3.08Å; W52-I404 HydrophobicContact CH2-CG2 3.78Å; W52-I404 HydrophobicContact CZ3-CD1 4.32Å; W52-I404 HydrophobicContact CZ3-CG1 4.49Å; W52-I404 HydrophobicContact CZ3-CG2 4.12Å; W52-Y421 HydrophobicContact CZ3-CD1 4.4Å; W52-Y463 AromaticContact CE3-CE2 3.73Å; W52-Y463 HydrophobicContact CE3-CE2 3.73Å; W52-Y463 AromaticContact CZ3-CE2 3.88Å; W52-Y463 HydrophobicContact CZ3-CE2 3.88Å; W52-V466 HydrophobicContact CH2-CG1 3.71Å; W52-V466 HydrophobicContact CZ2-CG1 4.16Å; W52-V466 HydrophobicContact CZ3-CG1 4.2Å; W52-I467 HydrophobicContact CB-CD1 4.23Å; W52-I467 HydrophobicContact CB-CG1 3.9Å; W52-I467 HydrophobicContact CB-CG2 4.14Å; W52-I467 HydrophobicContact CD2-CG1 3.89Å; W52-I467 HydrophobicContact CE3-CG1 4.12Å; W52-I467 HydrophobicContact CG-CB 4.37Å; W52-I467 HydrophobicContact CG-CG1 3.81Å; W52-I467 HydrophobicContact CG-CG2 4.06Å; W52-N470 PolarHBondContact NE1-OD1 2.99Å
53	A	98.8	Very high	97.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	163.4	-174	0	0	0	0	0	113.1	H112 F377 Y421 T422 A423 Y463	A53-H112 VanDerWaalsContact CA-O 3.24Å; A53-H112 WeakPolarHBondContact CA-O 3.42Å; A53-H112 HydrophobicContact CB-CB 3.79Å; A53-F377 HydrophobicContact CB-CE2 4.42Å; A53-F377 HydrophobicContact CB-CZ 4.2Å; A53-Y421 PolarHBondContact N-O 2.92Å; A53-T422 HydrophobicContact CB-CG2 4.03Å; A53-T422 WeakPolarHBondContact CB-OG1 3.47Å; A53-T422 WeakPolarHBondContact O-CA 3.48Å; A53-A423 PolarHBondContact O-N 3.49Å; A53-Y463 WeakPolarHBondContact O-CE1 3.4Å; A53-Y463 PolarHBondContact O-OH 3.02Å
54	V	98.8	Very high	97.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	148.9	168.1	67.8	0	0	0	0	109.2	L108 V110 H112 Y113 R114 A423 L426 L442	V54-L108 HydrophobicContact CB-CD1 4.26Å; V54-L108 HydrophobicContact CG1-CD1 4.11Å; V54-L108 HydrophobicContact CG2-CD1 4.17Å; V54-V110 HydrophobicContact CB-CG1 4.23Å; V54-V110 HydrophobicContact CG1-CG1 4.21Å; V54-V110 HydrophobicContact CG1-CG2 4.05Å; V54-H112 PolarHBondContact N-O 3.09Å; V54-Y113 HydrophobicContact CG1-CD2 3.82Å; V54-Y113 HydrophobicContact CG1-CE2 4.36Å; V54-Y113 VanDerWaalsContact O-CD2 3.27Å; V54-Y113 WeakPolarHBondContact O-CD2 3.03Å; V54-R114 PolarHBondContact O-N 3.37Å; V54-A423 WeakPolarHBondContact CA-O 3.3Å; V54-L426 HydrophobicContact CG1-CB 4.43Å; V54-L426 HydrophobicContact CG1-CD1 3.89Å; V54-L426 HydrophobicContact CG2-CB 3.81Å; V54-L426 HydrophobicContact CG2-CD1 4.08Å; V54-L442 HydrophobicContact CG2-CD1 3.99Å
55	G	98.4	Very high	97.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	151.3	-170.2	0	0	0	0	0	116.2	R114 A423 S425 L426	G55-R114 CarbonylContact C-O 3.58Å; G55-R114 VanDerWaalsContact CA-O 3.23Å; G55-R114 WeakPolarHBondContact CA-O 3.21Å; G55-A423 PolarHBondContact N-O 3.41Å; G55-S425 CarbonylContact O-C 3.31Å; G55-S425 VanDerWaalsContact O-CA 3.29Å; G55-S425 WeakPolarHBondContact O-CA 3.36Å; G55-S425 WeakPolarHBondContact O-CB 3.29Å; G55-L426 PolarHBondContact O-N 2.97Å
56	T	98.6	Very high	97.4	Very high	4 Å²	4	25.9 Å²	25.9	3%	0.025	15%	0.146	C	C	.	.			trans	-140.8	165.5	167.4	58.6	0	0	0	0	111.3	V61 Y113 R114 F115 W424 L426	T56-V61 HydrophobicContact CG2-CG1 4.08Å; T56-V61 HydrophobicContact CG2-CG2 4.26Å; T56-Y113 HydrophobicContact CG2-CE2 4.04Å; T56-Y113 VanDerWaalsContact CG2-OH 3.27Å; T56-Y113 WeakPolarHBondContact CG2-OH 3.25Å; T56-Y113 PolarHBondContact OG1-OH 3.3Å; T56-R114 PolarHBondContact N-O 3.3Å; T56-F115 WeakPolarHBondContact O-CA 3.3Å; T56-W424 WeakPolarHBondContact O-CH2 3.46Å; T56-L426 HydrophobicContact CG2-CB 3.57Å; T56-L426 HydrophobicContact CG2-CD2 4.29Å
57	A	98.2	Very high	97.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.			trans	-128.3	143.9	172.1	0	0	0	0	0	110.6	Y59 Q60 V61 H159 W424 W432	A57-Y59 PolarHBondContact O-N 2.99Å; A57-Q60 HydrophobicContact CB-CB 4.41Å; A57-Q60 HydrophobicContact CB-CG 3.9Å; A57-Q60 WeakPolarHBondContact O-CB 3.46Å; A57-Q60 PolarHBondContact O-N 3.05Å; A57-V61 PolarHBondContact O-N 3.41Å; A57-V61 VanDerWaalsContact O-N 3.16Å; A57-H159 HydrophobicContact CB-CB 4.49Å; A57-H159 VanDerWaalsContact CB-CE1 3.48Å; A57-H159 WeakPolarHBondContact CB-CE1 3.46Å; A57-H159 WeakPolarHBondContact CB-ND1 3.4Å; A57-W424 HydrophobicContact CB-CH2 4.24Å; A57-W424 HydrophobicContact CB-CZ2 3.97Å; A57-W432 HydrophobicContact CB-CZ2 4.22Å
58	A	98.4	Very high	97.3	Very high	4 Å²	4	32.5 Å²	32.5	3%	0.033	17%	0.173	C	C	.	.	H	α-helix	trans	-54.7	-55.4	-170	0	0	0	0	0	112.4	Q60 V61 E62 S116	A58-Q60 PolarHBondContact O-N 3.12Å; A58-V61 PolarHBondContact O-N 3.24Å; A58-E62 HydrophobicContact CB-CG 4.22Å; A58-E62 WeakPolarHBondContact CB-OE1 3.42Å; A58-E62 VanDerWaalsContact O-CB 3.24Å; A58-E62 WeakPolarHBondContact O-CB 3.44Å; A58-E62 WeakPolarHBondContact O-CG 3.45Å; A58-E62 PolarHBondContact O-N 3.33Å; A58-S116 VanDerWaalsContact CB-OG 3.29Å; A58-S116 WeakPolarHBondContact CB-OG 3.16Å; A58-S116 PolarHBondContact N-OG 2.05Å
59	Y	98.1	Very high	97.3	Very high	15 Å²	15	29.2 Å²	29.2	6%	0.059	16%	0.158	C	C	.	.	H	α-helix	trans	-64.2	-25.9	-179.8	-163.4	-99.7	0	0	0	113.5	A57 W75 D76 T79 F430 W432	A57-Y59 PolarHBondContact O-N 2.99Å; Y59-W75 HydrophobicContact CD1-CB 3.82Å; Y59-W75 HydrophobicContact CD1-CD2 4.48Å; Y59-W75 HydrophobicContact CD1-CG 4.09Å; Y59-W75 HydrophobicContact CD2-CB 3.85Å; Y59-W75 HydrophobicContact CE1-CB 3.53Å; Y59-W75 HydrophobicContact CE1-CD2 4.42Å; Y59-W75 HydrophobicContact CE1-CE3 4.38Å; Y59-W75 HydrophobicContact CE1-CG 4.12Å; Y59-W75 HydrophobicContact CE2-CB 3.55Å; Y59-W75 HydrophobicContact CG-CB 3.98Å; Y59-W75 HydrophobicContact CG-CG 4.39Å; Y59-W75 VanDerWaalsContact OH-C 3.29Å; Y59-W75 PolarHBondContact OH-O 3.47Å; Y59-W75 VanDerWaalsContact OH-O 3.08Å; Y59-D76 WeakPolarHBondContact CE2-OD1 3.23Å; Y59-T79 HydrophobicContact CE1-CG2 4.36Å; Y59-T79 PolarHBondContact OH-OG1 3.27Å; Y59-F430 AromaticContact CD1-CD1 3.93Å; Y59-F430 HydrophobicContact CD1-CD1 3.93Å; Y59-F430 HydrophobicContact CD1-CE1 4.33Å; Y59-F430 AromaticContact CE1-CD1 3.69Å; Y59-F430 HydrophobicContact CE1-CD1 3.69Å; Y59-F430 AromaticContact CE1-CE1 3.78Å; Y59-F430 HydrophobicContact CE1-CE1 3.78Å; Y59-W432 HydrophobicContact CD1-CE3 4.35Å; Y59-W432 AromaticContact CD1-CZ3 3.92Å; Y59-W432 HydrophobicContact CD1-CZ3 3.92Å; Y59-W432 HydrophobicContact CG-CZ3 4.28Å
60	Q	97.6	Very high	97.4	Very high	3 Å²	3	23.8 Å²	23.8	1%	0.014	13%	0.129	C	C	.	.	H	α-helix	trans	-73.6	-38.6	178.8	-57.6	-165.6	-80.1	0	0	112.1	A57 A58 G429 F430 E431 W432	A57-Q60 HydrophobicContact CB-CB 4.41Å; A57-Q60 HydrophobicContact CB-CG 3.9Å; A57-Q60 WeakPolarHBondContact O-CB 3.46Å; A57-Q60 PolarHBondContact O-N 3.05Å; A58-Q60 PolarHBondContact O-N 3.12Å; Q60-G429 CarbonylContact O-C 3.56Å; Q60-G429 VanDerWaalsContact O-CA 3.27Å; Q60-G429 WeakPolarHBondContact O-CA 3.43Å; Q60-F430 VanDerWaalsContact CG-O 3.27Å; Q60-F430 WeakPolarHBondContact CG-O 3.38Å; Q60-F430 PolarHBondContact NE2-O 3.27Å; Q60-F430 VanDerWaalsContact NE2-O 3.13Å; Q60-F430 PolarHBondContact O-N 2.89Å; Q60-E431 VanDerWaalsContact NE2-CD 3.3Å; Q60-E431 PolarHBondContact NE2-OE1 3.31Å; Q60-E431 PolarHBondContact NE2-OE2 3.46Å; Q60-W432 HydrophobicContact CG-CH2 4.12Å; Q60-W432 HydrophobicContact CG-CZ2 3.53Å
61	V	98.2	Very high	97.3	Very high	5 Å²	5	24 Å²	24	3%	0.03	13%	0.133	C	C	.	.	H	α-helix	trans	-122.4	-24.9	-165.2	-50.2	0	0	0	0	115.5	T56 A57 A58 S92 D93 S94	T56-V61 HydrophobicContact CG2-CG1 4.08Å; T56-V61 HydrophobicContact CG2-CG2 4.26Å; A57-V61 PolarHBondContact O-N 3.41Å; A57-V61 VanDerWaalsContact O-N 3.16Å; A58-V61 PolarHBondContact O-N 3.24Å; V61-S92 WeakPolarHBondContact CA-OG 3.27Å; V61-S92 CarbonylContact O-C 3.51Å; V61-S92 PolarHBondContact O-N 3.39Å; V61-D93 PolarHBondContact O-N 3.32Å; V61-S94 WeakPolarHBondContact CB-OG 3.44Å; V61-S94 WeakPolarHBondContact CG2-OG 3.34Å; V61-S94 WeakPolarHBondContact O-CB 3.43Å; V61-S94 PolarHBondContact O-N 3.32Å; V61-S94 PolarHBondContact O-OG 3.07Å
62	E	98.3	Very high	97.3	Very high	6 Å²	6	26.4 Å²	26.4	3%	0.028	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-49.5	-173.1	-74.5	-176.5	-174.1	0	0	113	A58 D93 S94 Y95 R121 Y138 Y139	A58-E62 HydrophobicContact CB-CG 4.22Å; A58-E62 WeakPolarHBondContact CB-OE1 3.42Å; A58-E62 VanDerWaalsContact O-CB 3.24Å; A58-E62 WeakPolarHBondContact O-CB 3.44Å; A58-E62 WeakPolarHBondContact O-CG 3.45Å; A58-E62 PolarHBondContact O-N 3.33Å; E62-D93 CarbonylContact O-C 2.96Å; E62-S94 PolarHBondContact O-N 3.15Å; E62-Y95 VanDerWaalsContact O-CB 3.26Å; E62-Y95 WeakPolarHBondContact O-CB 3.32Å; E62-Y95 PolarHBondContact O-N 3.34Å; E62-Y95 VanDerWaalsContact O-N 3.07Å; E62-R121 IonicContact OE2-CZ 2.84Å; E62-R121 IonicContact OE2-NE 2.99Å; E62-R121 PolarHBondContact OE2-NE 3.3Å; E62-R121 IonicContact OE2-NH2 3.01Å; E62-R121 PolarHBondContact OE2-NH2 2.92Å; E62-Y138 HydrophobicContact CG-CE1 4.45Å; E62-Y139 VanDerWaalsContact CD-OH 3.25Å; E62-Y139 WeakPolarHBondContact OE1-CE1 3.26Å; E62-Y139 VanDerWaalsContact OE1-CZ 3.28Å; E62-Y139 PolarHBondContact OE1-OH 3.25Å; E62-Y139 PolarHBondContact OE2-OH 3.38Å
63	G	96	Very high	97.2	Very high	5 Å²	5	26.1 Å²	26.1	5%	0.052	15%	0.145	C	C	.	.			trans	64.6	-147.9	-168	0	0	0	0	0	112.9	F65 D89 V90 R121	G63-F65 VanDerWaalsContact C-N 3.26Å; G63-F65 PolarHBondContact O-N 3.42Å; G63-D89 CarbonylContact C-O 3.36Å; G63-D89 VanDerWaalsContact C-O 3.28Å; G63-D89 VanDerWaalsContact CA-O 3.25Å; G63-D89 WeakPolarHBondContact CA-O 3.39Å; G63-V90 VanDerWaalsContact CA-C 3.48Å; G63-V90 WeakPolarHBondContact CA-O 3.46Å; G63-R121 PolarHBondContact O-NH2 2.83Å
64	A	95.8	Very high	97.2	Very high	9 Å²	9	26.2 Å²	26.2	7%	0.074	15%	0.145	C	C	.	.			trans	51.6	47	177.6	0	0	0	0	0	111.8	E66 K67 D89 Y95 R121	A64-E66 PolarHBondContact O-N 3.47Å; A64-K67 HydrophobicContact CB-CB 3.92Å; A64-K67 HydrophobicContact CB-CG 3.81Å; A64-K67 PolarHBondContact O-N 2.88Å; A64-D89 PolarHBondContact N-O 3Å; A64-Y95 HydrophobicContact CB-CD1 3.43Å; A64-Y95 VanDerWaalsContact CB-CD1 3.43Å; A64-Y95 HydrophobicContact CB-CE1 4.21Å; A64-Y95 HydrophobicContact CB-CG 3.79Å; A64-R121 PolarHBondContact O-NH1 3.3Å
65	F	94.4	Very high	97.1	Very high	34 Å²	34	26.3 Å²	26.3	15%	0.149	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-25.4	-164.1	81.5	-74.5	0	0	0	114.9	G63 K70 L72 D76 D89	G63-F65 VanDerWaalsContact C-N 3.26Å; G63-F65 PolarHBondContact O-N 3.42Å; F65-K70 VanDerWaalsContact O-CD 3.28Å; F65-K70 WeakPolarHBondContact O-CD 3.26Å; F65-K70 VanDerWaalsContact O-CG 3.32Å; F65-K70 WeakPolarHBondContact O-CG 3.21Å; F65-K70 PolarHBondContact O-NZ 3.47Å; F65-L72 HydrophobicContact CD2-CD2 4.04Å; F65-L72 HydrophobicContact CE2-CD2 4.11Å; F65-D76 WeakPolarHBondContact CB-OD1 3.25Å; F65-D76 HydrophobicContact CD2-CB 4.49Å; F65-D89 HydrophobicContact CD1-CB 3.45Å; F65-D89 VanDerWaalsContact CD1-CB 3.45Å; F65-D89 HydrophobicContact CE1-CB 3.84Å; F65-D89 HydrophobicContact CG-CB 4.19Å; F65-D89 PolarHBondContact N-O 3.32Å
66	E	93.3	Very high	97	Very high	123 Å²	123	26.4 Å²	26.4	58%	0.575	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.1	17.3	178.5	-88.9	174.7	-176.6	0	0	112.8	A64 L72	A64-E66 PolarHBondContact O-N 3.47Å; E66-L72 HydrophobicContact CG-CD2 4.21Å
67	K	96.8	Very high	96.8	Very high	119 Å²	119	28.3 Å²	28.3	52%	0.517	16%	0.158	S	C	.	.	S	Bend	trans	-88.6	150.6	178.9	-62.4	-61.5	-176.3	-178	0	112	A64 G69 K70 Y95	A64-K67 HydrophobicContact CB-CB 3.92Å; A64-K67 HydrophobicContact CB-CG 3.81Å; A64-K67 PolarHBondContact O-N 2.88Å; K67-G69 PolarHBondContact O-N 3.23Å; K67-G69 VanDerWaalsContact O-N 3.12Å; K67-K70 WeakPolarHBondContact O-CB 3.41Å; K67-K70 PolarHBondContact O-N 3.46Å; K67-Y95 HydrophobicContact CB-CE1 4.49Å
68	D	96.5	Very high	96.6	Very high	74 Å²	74	30 Å²	30	40%	0.396	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	49	40.5	172.1	-56.1	-29.9	0	0	0	114.4	K70 Y95 N132 I134	D68-K70 VanDerWaalsContact C-N 3.32Å; D68-K70 PolarHBondContact O-N 3.33Å; D68-Y95 WeakPolarHBondContact CB-OH 3.44Å; D68-Y95 VanDerWaalsContact OD2-CE1 3.31Å; D68-Y95 WeakPolarHBondContact OD2-CE1 3.45Å; D68-Y95 PolarHBondContact OD2-OH 3.09Å; D68-N132 PolarHBondContact O-ND2 3Å; D68-N132 PolarHBondContact O-OD1 3.17Å; D68-I134 HydrophobicContact CB-CB 4.16Å; D68-I134 HydrophobicContact CB-CD1 4.47Å; D68-I134 HydrophobicContact CB-CG2 3.65Å
69	G	95.1	Very high	96.4	Very high	53 Å²	53	30.1 Å²	30.1	55%	0.546	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	12	176.5	0	0	0	0	0	115.3	K67 G71 P124	K67-G69 PolarHBondContact O-N 3.23Å; K67-G69 VanDerWaalsContact O-N 3.12Å; G69-G71 PolarHBondContact O-N 3.08Å; G69-P124 WeakPolarHBondContact O-CG 3.37Å
70	K	97.9	Very high	96	Very high	18 Å²	18	34.9 Å²	34.9	8%	0.078	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-58	133.6	170	171.7	173.3	170.1	-56.6	0	110.6	F65 K67 D68 D76 R121	F65-K70 VanDerWaalsContact O-CD 3.28Å; F65-K70 WeakPolarHBondContact O-CD 3.26Å; F65-K70 VanDerWaalsContact O-CG 3.32Å; F65-K70 WeakPolarHBondContact O-CG 3.21Å; F65-K70 PolarHBondContact O-NZ 3.47Å; K67-K70 WeakPolarHBondContact O-CB 3.41Å; K67-K70 PolarHBondContact O-N 3.46Å; D68-K70 VanDerWaalsContact C-N 3.32Å; D68-K70 PolarHBondContact O-N 3.33Å; K70-D76 IonicContact NZ-OD1 3.08Å; K70-D76 IonicContact NZ-OD2 2.73Å; K70-D76 PolarHBondContact NZ-OD2 3.27Å; K70-R121 HydrophobicContact CB-CB 4.41Å; K70-R121 HydrophobicContact CB-CG 4.19Å; K70-R121 HydrophobicContact CD-CB 4.06Å; K70-R121 HydrophobicContact CD-CG 4.33Å; K70-R121 VanDerWaalsContact CD-CZ 3.42Å; K70-R121 HydrophobicContact CG-CB 4.1Å; K70-R121 HydrophobicContact CG-CG 4.37Å
71	G	97.4	Very high	95.2	Very high	12 Å²	12	36.6 Å²	36.6	12%	0.124	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-82.2	161.6	170	0	0	0	0	0	112.9	G69 S120	G69-G71 PolarHBondContact O-N 3.08Å; G71-S120 PolarHBondContact N-O 3.45Å; G71-S120 VanDerWaalsContact O-CB 3.25Å; G71-S120 WeakPolarHBondContact O-CB 3.49Å; G71-S120 PolarHBondContact O-OG 3.37Å
72	L	97.7	Very high	94.1	Very high	64 Å²	64	40.1 Å²	40.1	34%	0.335	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-66.2	139.8	174.4	-59.9	-179.6	0	0	0	110.7	F65 E66 D76 T77 E164	F65-L72 HydrophobicContact CD2-CD2 4.04Å; F65-L72 HydrophobicContact CE2-CD2 4.11Å; E66-L72 HydrophobicContact CG-CD2 4.21Å; L72-D76 HydrophobicContact CB-CB 4.33Å; L72-D76 HydrophobicContact CD2-CB 4Å; L72-T77 HydrophobicContact CD1-CG2 4.42Å; L72-E164 HydrophobicContact CB-CB 3.96Å; L72-E164 WeakPolarHBondContact O-CB 3.32Å; L72-E164 PolarHBondContact O-N 3Å
73	S	97.9	Very high	92.9	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.007	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-97.5	164.8	165.7	70.2	0	0	0	0	110.4	W75 D76 T77 L162	S73-W75 PolarHBondContact O-N 3.46Å; S73-W75 VanDerWaalsContact O-N 3.11Å; S73-W75 PolarHBondContact OG-N 3.46Å; S73-D76 WeakPolarHBondContact CB-OD2 3.37Å; S73-D76 PolarHBondContact N-OD2 3.1Å; S73-D76 WeakPolarHBondContact O-CB 3.01Å; S73-D76 PolarHBondContact O-N 3.04Å; S73-D76 PolarHBondContact OG-N 3.09Å; S73-D76 PolarHBondContact OG-OD2 3.47Å; S73-T77 PolarHBondContact O-N 2.92Å; S73-T77 PolarHBondContact O-OG1 3.28Å; S73-L162 CarbonylContact C-O 3.42Å; S73-L162 WeakPolarHBondContact CA-O 3.34Å
74	I	97.6	Very high	92.1	Very high	2 Å²	2	51 Å²	51	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-58.3	-24	174.3	60.1	169.2	0	0	0	113	T77 F78 L162 E164 Q167 A220	I74-T77 WeakPolarHBondContact CA-OG1 3.33Å; I74-T77 PolarHBondContact O-OG1 3.48Å; I74-T77 VanDerWaalsContact O-OG1 3.07Å; I74-F78 WeakPolarHBondContact O-CB 3.46Å; I74-F78 PolarHBondContact O-N 3.31Å; I74-L162 HydrophobicContact CD1-CB 3.86Å; I74-L162 HydrophobicContact CG1-CB 3.99Å; I74-L162 HydrophobicContact CG2-CB 4.03Å; I74-L162 HydrophobicContact CG2-CD2 4.26Å; I74-L162 HydrophobicContact CG2-CG 4.41Å; I74-L162 PolarHBondContact N-O 3.05Å; I74-E164 WeakPolarHBondContact CA-OE2 3.28Å; I74-Q167 HydrophobicContact CG2-CB 3.56Å; I74-Q167 HydrophobicContact CG2-CG 3.86Å; I74-A220 HydrophobicContact CB-CB 4.23Å; I74-A220 HydrophobicContact CD1-CB 3.81Å; I74-A220 HydrophobicContact CG1-CB 3.85Å
75	W	96.6	Very high	91.4	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.008	33%	0.329	C	S	.	.	H	α-helix	trans	-79.8	-32.6	175.4	-81.7	100.8	0	0	0	112.4	Y59 S73 T77 F78 T79 W160 V219 A220 F430 W432	Y59-W75 HydrophobicContact CD1-CB 3.82Å; Y59-W75 HydrophobicContact CD1-CD2 4.48Å; Y59-W75 HydrophobicContact CD1-CG 4.09Å; Y59-W75 HydrophobicContact CD2-CB 3.85Å; Y59-W75 HydrophobicContact CE1-CB 3.53Å; Y59-W75 HydrophobicContact CE1-CD2 4.42Å; Y59-W75 HydrophobicContact CE1-CE3 4.38Å; Y59-W75 HydrophobicContact CE1-CG 4.12Å; Y59-W75 HydrophobicContact CE2-CB 3.55Å; Y59-W75 HydrophobicContact CG-CB 3.98Å; Y59-W75 HydrophobicContact CG-CG 4.39Å; Y59-W75 VanDerWaalsContact OH-C 3.29Å; Y59-W75 PolarHBondContact OH-O 3.47Å; Y59-W75 VanDerWaalsContact OH-O 3.08Å; S73-W75 PolarHBondContact O-N 3.46Å; S73-W75 VanDerWaalsContact O-N 3.11Å; S73-W75 PolarHBondContact OG-N 3.46Å; W75-T77 VanDerWaalsContact C-N 3.29Å; W75-T77 PolarHBondContact O-N 3.12Å; W75-F78 AromaticContact CE3-CD1 3.82Å; W75-F78 HydrophobicContact CE3-CD1 3.82Å; W75-F78 HydrophobicContact CE3-CE1 4.49Å; W75-F78 HydrophobicContact CH2-CD1 4.47Å; W75-F78 HydrophobicContact CH2-CE1 4.41Å; W75-F78 AromaticContact CZ3-CD1 3.7Å; W75-F78 HydrophobicContact CZ3-CD1 3.7Å; W75-F78 AromaticContact CZ3-CE1 3.91Å; W75-F78 HydrophobicContact CZ3-CE1 3.91Å; W75-F78 PolarHBondContact O-N 3.29Å; W75-T79 HydrophobicContact CE3-CG2 4.13Å; W75-T79 WeakPolarHBondContact O-CB 3Å; W75-T79 VanDerWaalsContact O-CG2 3.31Å; W75-T79 WeakPolarHBondContact O-CG2 3.48Å; W75-T79 PolarHBondContact O-N 2.95Å; W75-T79 PolarHBondContact O-OG1 2.98Å; W75-W160 HydrophobicContact CZ2-CE3 4.32Å; W75-W160 PolarHBondContact NE1-O 3.34Å; W75-V219 HydrophobicContact CH2-CB 3.75Å; W75-V219 HydrophobicContact CH2-CG1 4.03Å; W75-V219 HydrophobicContact CZ2-CB 3.66Å; W75-V219 HydrophobicContact CZ2-CG1 4.17Å; W75-A220 HydrophobicContact CD2-CB 3.67Å; W75-A220 HydrophobicContact CE3-CB 4.19Å; W75-A220 HydrophobicContact CG-CB 3.87Å; W75-A220 HydrophobicContact CZ2-CB 4.23Å; W75-F430 HydrophobicContact CE3-CE1 4.4Å; W75-F430 HydrophobicContact CZ3-CE1 4.43Å; W75-W432 AromaticContact CD1-CZ3 3.94Å; W75-W432 AromaticContact CD2-CE3 3.92Å; W75-W432 HydrophobicContact CD2-CE3 3.92Å; W75-W432 HydrophobicContact CD2-CZ3 4.08Å; W75-W432 AromaticContact CE2-CE3 3.44Å; W75-W432 VanDerWaalsContact CE2-CE3 3.44Å; W75-W432 AromaticContact CE2-CZ3 3.64Å; W75-W432 HydrophobicContact CE3-CE3 4.3Å; W75-W432 HydrophobicContact CG-CZ3 4.26Å; W75-W432 HydrophobicContact CH2-CB 3.8Å; W75-W432 HydrophobicContact CH2-CD2 4.47Å; W75-W432 AromaticContact CH2-CE3 3.85Å; W75-W432 HydrophobicContact CH2-CE3 3.85Å; W75-W432 HydrophobicContact CZ2-CB 4.3Å; W75-W432 HydrophobicContact CZ2-CD2 4.17Å; W75-W432 AromaticContact CZ2-CE3 3.39Å; W75-W432 HydrophobicContact CZ2-CE3 3.39Å; W75-W432 HydrophobicContact CZ2-CZ3 4.03Å; W75-W432 HydrophobicContact CZ3-CB 4.41Å; W75-W432 HydrophobicContact CZ3-CE3 4.27Å; W75-W432 AromaticContact NE1-CE3 3.87Å; W75-W432 AromaticContact NE1-CZ3 3.55Å
76	D	95.9	Very high	91.3	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-60.1	-44.4	174	-63.9	-58.6	0	0	0	109.5	Y59 F65 K70 L72 S73 T79 R80	Y59-D76 WeakPolarHBondContact CE2-OD1 3.23Å; F65-D76 WeakPolarHBondContact CB-OD1 3.25Å; F65-D76 HydrophobicContact CD2-CB 4.49Å; K70-D76 IonicContact NZ-OD1 3.08Å; K70-D76 IonicContact NZ-OD2 2.73Å; K70-D76 PolarHBondContact NZ-OD2 3.27Å; L72-D76 HydrophobicContact CB-CB 4.33Å; L72-D76 HydrophobicContact CD2-CB 4Å; S73-D76 WeakPolarHBondContact CB-OD2 3.37Å; S73-D76 PolarHBondContact N-OD2 3.1Å; S73-D76 WeakPolarHBondContact O-CB 3.01Å; S73-D76 PolarHBondContact O-N 3.04Å; S73-D76 PolarHBondContact OG-N 3.09Å; S73-D76 PolarHBondContact OG-OD2 3.47Å; D76-T79 PolarHBondContact O-OG1 3.37Å; D76-R80 WeakPolarHBondContact O-CD 3.18Å; D76-R80 WeakPolarHBondContact O-CG 3.4Å; D76-R80 PolarHBondContact O-NH1 3.27Å
77	T	94.7	Very high	91.3	Very high	44 Å²	44	55 Å²	55	27%	0.27	32%	0.318	S	S	.	.	H	α-helix	trans	-73.6	-44.8	175.5	40.7	0	0	0	0	112.6	L72 S73 I74 W75 T79 R80 G81 E164	L72-T77 HydrophobicContact CD1-CG2 4.42Å; S73-T77 PolarHBondContact O-N 2.92Å; S73-T77 PolarHBondContact O-OG1 3.28Å; I74-T77 WeakPolarHBondContact CA-OG1 3.33Å; I74-T77 PolarHBondContact O-OG1 3.48Å; I74-T77 VanDerWaalsContact O-OG1 3.07Å; W75-T77 VanDerWaalsContact C-N 3.29Å; W75-T77 PolarHBondContact O-N 3.12Å; T77-T79 PolarHBondContact O-N 2.99Å; T77-R80 PolarHBondContact O-N 2.96Å; T77-R80 VanDerWaalsContact O-N 3.16Å; T77-G81 PolarHBondContact O-N 2.04Å; T77-E164 HydrophobicContact CG2-CB 4.49Å; T77-E164 HydrophobicContact CG2-CG 3.68Å; T77-E164 VanDerWaalsContact OG1-CD 3.24Å; T77-E164 PolarHBondContact OG1-OE2 3.47Å
78	F	94.1	Very high	91.1	Very high	37 Å²	37	49.4 Å²	49.4	16%	0.162	29%	0.294	C	S	.	.	H	α-helix	trans	-62.6	-39.4	-178	-178.3	-105.3	0	0	0	113.4	I74 W75 R80 G81 A220	I74-F78 WeakPolarHBondContact O-CB 3.46Å; I74-F78 PolarHBondContact O-N 3.31Å; W75-F78 AromaticContact CE3-CD1 3.82Å; W75-F78 HydrophobicContact CE3-CD1 3.82Å; W75-F78 HydrophobicContact CE3-CE1 4.49Å; W75-F78 HydrophobicContact CH2-CD1 4.47Å; W75-F78 HydrophobicContact CH2-CE1 4.41Å; W75-F78 AromaticContact CZ3-CD1 3.7Å; W75-F78 HydrophobicContact CZ3-CD1 3.7Å; W75-F78 AromaticContact CZ3-CE1 3.91Å; W75-F78 HydrophobicContact CZ3-CE1 3.91Å; W75-F78 PolarHBondContact O-N 3.29Å; F78-R80 PolarHBondContact O-N 3.02Å; F78-G81 PolarHBondContact O-N 3.33Å; F78-A220 HydrophobicContact CB-CB 3.69Å; F78-A220 HydrophobicContact CD1-CB 4Å; F78-A220 HydrophobicContact CD2-CB 4.37Å; F78-A220 HydrophobicContact CG-CB 3.78Å
79	T	93.9	Very high	91	Very high	6 Å²	6	47.3 Å²	47.3	4%	0.037	28%	0.283	C	S	.	.	H	α-helix	trans	-68.5	-19.9	178.5	51.8	0	0	0	0	113.5	Y59 W75 D76 T77 F430	Y59-T79 HydrophobicContact CE1-CG2 4.36Å; Y59-T79 PolarHBondContact OH-OG1 3.27Å; W75-T79 HydrophobicContact CE3-CG2 4.13Å; W75-T79 WeakPolarHBondContact O-CB 3Å; W75-T79 VanDerWaalsContact O-CG2 3.31Å; W75-T79 WeakPolarHBondContact O-CG2 3.48Å; W75-T79 PolarHBondContact O-N 2.95Å; W75-T79 PolarHBondContact O-OG1 2.98Å; D76-T79 PolarHBondContact O-OG1 3.37Å; T77-T79 PolarHBondContact O-N 2.99Å; T79-F430 HydrophobicContact CG2-CE1 3.97Å; T79-F430 HydrophobicContact CG2-CE2 4.45Å; T79-F430 HydrophobicContact CG2-CZ 3.58Å
80	R	91.3	Very high	91	Very high	115 Å²	115	48.1 Å²	48.1	43%	0.434	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-4.8	176.3	-67.2	171	172.3	69.7	5.9	113.4	D76 T77 F78 D89	D76-R80 WeakPolarHBondContact O-CD 3.18Å; D76-R80 WeakPolarHBondContact O-CG 3.4Å; D76-R80 PolarHBondContact O-NH1 3.27Å; T77-R80 PolarHBondContact O-N 2.96Å; T77-R80 VanDerWaalsContact O-N 3.16Å; F78-R80 PolarHBondContact O-N 3.02Å; R80-D89 IonicContact CZ-OD1 3.36Å; R80-D89 IonicContact CZ-OD2 3.84Å; R80-D89 IonicContact NH1-OD1 3.09Å; R80-D89 PolarHBondContact NH1-OD1 2.75Å; R80-D89 VanDerWaalsContact NH1-OD1 3.09Å; R80-D89 IonicContact NH2-OD1 2.74Å; R80-D89 PolarHBondContact NH2-OD1 3.08Å; R80-D89 IonicContact NH2-OD2 2.97Å; R80-D89 PolarHBondContact NH2-OD2 3.01Å
81	G	79.2	Confident	90.8	Very high	38 Å²	38	47.3 Å²	47.3	39%	0.392	27%	0.274	S	S	.	.	S	Bend	trans	-105.5	152.6	178.6	0	0	0	0	0	113.6	T77 F78	T77-G81 PolarHBondContact O-N 2.04Å; F78-G81 PolarHBondContact O-N 3.33Å
82	G	74.9	Confident	90.7	Very high	79 Å²	79	46.8 Å²	46.8	81%	0.814	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	-146.4	172.3	0	0	0	0	0	114.8
83	N	73.6	Confident	90.7	Very high	169 Å²	169	44.9 Å²	44.9	90%	0.904	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	21.1	-175.4	-65.2	-13.3	0	0	0	113.6
84	R	80.4	Confident	90.7	Very high	72 Å²	72	44.9 Å²	44.9	27%	0.272	26%	0.258	S	S	.	.			trans	-72.6	143.4	-179.8	-65.1	-67.1	-177.8	-174.6	-0.9	110.5	V218 H433 E435	R84-V218 PolarHBondContact NH2-O 3.27Å; R84-V218 VanDerWaalsContact NH2-O 3.1Å; R84-H433 PolarHBondContact NH1-O 3.29Å; R84-E435 WeakPolarHBondContact CD-OE1 3.3Å; R84-E435 IonicContact NH1-OE1 3.92Å; R84-E435 PolarHBondContact NH1-OE1 3.32Å
85	M	81	Confident	90.8	Very high	179 Å²	179	45.8 Å²	45.8	88%	0.882	26%	0.262	S	S	*	.			trans	-106.3	-22.2	-174.7	-63.2	-171.2	-64.8	0	0	113.5	E435	M85-E435 PolarHBondContact N-OE2 3.18Å; M85-E435 VanDerWaalsContact N-OE2 3.07Å
86	A	90.7	Very high	90.7	Very high	25 Å²	25	50.6 Å²	50.6	21%	0.207	28%	0.284	C	S	.	.			trans	-134.3	156	-179.7	0	0	0	0	0	113.5	E435 Y436	A86-E435 HydrophobicContact CB-CB 4.24Å; A86-E435 PolarHBondContact N-OE2 3.03Å; A86-Y436 HydrophobicContact CB-CD2 3.73Å; A86-Y436 HydrophobicContact CB-CE2 3.91Å
87	T	93.9	Very high	90.8	Very high	44 Å²	44	52.4 Å²	52.4	27%	0.27	29%	0.294	S	S	.	.			trans	-113.1	163.5	176.5	66	0	0	0	0	111.9	D89 Y436	T87-D89 VanDerWaalsContact C-N 3.31Å; T87-D89 WeakPolarHBondContact CB-OD2 3.33Å; T87-D89 PolarHBondContact OG1-OD2 2.72Å; T87-Y436 WeakPolarHBondContact O-CE2 3.42Å; T87-Y436 PolarHBondContact O-OH 3.29Å
88	G	93.1	Very high	90.9	Very high	2 Å²	2	51.2 Å²	51.2	2%	0.021	29%	0.286	C	S	.	.	S	Bend	trans	-91.4	15.5	172.9	0	0	0	0	0	113.5	V90 G91	G88-V90 PolarHBondContact O-N 3.3Å; G88-V90 VanDerWaalsContact O-N 3.15Å; G88-G91 PolarHBondContact O-N 3.28Å
89	D	94.7	Very high	91	Very high	31 Å²	31	54.8 Å²	54.8	17%	0.166	30%	0.302	C	S	.	.	S	Bend	trans	-59.3	-33.6	-167.7	-66.8	-21.3	0	0	0	113.5	G63 A64 F65 R80 T87	G63-D89 CarbonylContact C-O 3.36Å; G63-D89 VanDerWaalsContact C-O 3.28Å; G63-D89 VanDerWaalsContact CA-O 3.25Å; G63-D89 WeakPolarHBondContact CA-O 3.39Å; A64-D89 PolarHBondContact N-O 3Å; F65-D89 HydrophobicContact CD1-CB 3.45Å; F65-D89 VanDerWaalsContact CD1-CB 3.45Å; F65-D89 HydrophobicContact CE1-CB 3.84Å; F65-D89 HydrophobicContact CG-CB 4.19Å; F65-D89 PolarHBondContact N-O 3.32Å; R80-D89 IonicContact CZ-OD1 3.36Å; R80-D89 IonicContact CZ-OD2 3.84Å; R80-D89 IonicContact NH1-OD1 3.09Å; R80-D89 PolarHBondContact NH1-OD1 2.75Å; R80-D89 VanDerWaalsContact NH1-OD1 3.09Å; R80-D89 IonicContact NH2-OD1 2.74Å; R80-D89 PolarHBondContact NH2-OD1 3.08Å; R80-D89 IonicContact NH2-OD2 2.97Å; R80-D89 PolarHBondContact NH2-OD2 3.01Å; T87-D89 VanDerWaalsContact C-N 3.31Å; T87-D89 WeakPolarHBondContact CB-OD2 3.33Å; T87-D89 PolarHBondContact OG1-OD2 2.72Å
90	V	94.4	Very high	91.1	Very high	70 Å²	70	54.8 Å²	54.8	42%	0.424	30%	0.303	S	S	.	.	S	Bend	trans	-109.8	-37.8	175.8	-172.8	0	0	0	0	111.2	G63 G88 S92 D93 M452	G63-V90 VanDerWaalsContact CA-C 3.48Å; G63-V90 WeakPolarHBondContact CA-O 3.46Å; G88-V90 PolarHBondContact O-N 3.3Å; G88-V90 VanDerWaalsContact O-N 3.15Å; V90-S92 PolarHBondContact O-N 2.83Å; V90-D93 HydrophobicContact CG1-CB 3.96Å; V90-D93 WeakPolarHBondContact O-CA 3.47Å; V90-D93 PolarHBondContact O-N 3Å; V90-M452 HydrophobicContact CG1-CE 3.46Å; V90-M452 VanDerWaalsContact CG1-CE 3.46Å; V90-M452 HydrophobicContact CG1-SD 4.16Å
91	G	93.3	Very high	91.5	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.01	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	-125.8	-178.4	0	0	0	0	0	111.5	G88 F447	G88-G91 PolarHBondContact O-N 3.28Å; G91-F447 WeakPolarHBondContact O-CD1 3.5Å
92	S	96.7	Very high	92.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	4	171.2	-33.9	0	0	0	0	113.3	V61 V90 S94 T427 D428 R454	V61-S92 WeakPolarHBondContact CA-OG 3.27Å; V61-S92 CarbonylContact O-C 3.51Å; V61-S92 PolarHBondContact O-N 3.39Å; V90-S92 PolarHBondContact O-N 2.83Å; S92-S94 VanDerWaalsContact C-N 3.28Å; S92-S94 PolarHBondContact O-N 3.02Å; S92-T427 PolarHBondContact OG-OG1 2.94Å; S92-D428 PolarHBondContact OG-O 2.83Å; S92-R454 PolarHBondContact O-NH1 3.32Å; S92-R454 PolarHBondContact O-NH2 3.45Å
93	D	97.5	Very high	93.5	Very high	24 Å²	24	52.4 Å²	52.4	13%	0.128	26%	0.259	C	S	.	.			trans	53.9	37.3	-175.9	-160.8	42	0	0	0	114.7	V61 E62 V90 Y95 H96 N97 M452	V61-D93 PolarHBondContact O-N 3.32Å; E62-D93 CarbonylContact O-C 2.96Å; V90-D93 HydrophobicContact CG1-CB 3.96Å; V90-D93 WeakPolarHBondContact O-CA 3.47Å; V90-D93 PolarHBondContact O-N 3Å; D93-Y95 PolarHBondContact O-N 3.19Å; D93-H96 PolarHBondContact O-N 2.83Å; D93-H96 IonicContact OD1-CE1 2.63Å; D93-H96 IonicContact OD1-CG 2.88Å; D93-H96 IonicContact OD1-ND1 3.96Å; D93-H96 PolarHBondContact OD1-ND1 3.4Å; D93-H96 IonicContact OD2-CG 3.7Å; D93-H96 IonicContact OD2-ND1 3.28Å; D93-H96 PolarHBondContact OD2-ND1 3.26Å; D93-N97 VanDerWaalsContact O-CB 3.31Å; D93-N97 WeakPolarHBondContact O-CB 3.45Å; D93-N97 PolarHBondContact O-N 3.17Å; D93-N97 VanDerWaalsContact O-N 3.16Å; D93-N97 PolarHBondContact O-ND2 2.84Å; D93-N97 PolarHBondContact OD2-ND2 3.26Å; D93-M452 HydrophobicContact CB-SD 3.73Å
94	S	98	Very high	94.7	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.007	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-24.8	-179.2	-52.7	0	0	0	0	112.4	V61 E62 S92 H96 N97 I98 D101 Y138 R454	V61-S94 WeakPolarHBondContact CB-OG 3.44Å; V61-S94 WeakPolarHBondContact CG2-OG 3.34Å; V61-S94 WeakPolarHBondContact O-CB 3.43Å; V61-S94 PolarHBondContact O-N 3.32Å; V61-S94 PolarHBondContact O-OG 3.07Å; E62-S94 PolarHBondContact O-N 3.15Å; S92-S94 VanDerWaalsContact C-N 3.28Å; S92-S94 PolarHBondContact O-N 3.02Å; S94-H96 VanDerWaalsContact C-N 3.29Å; S94-H96 PolarHBondContact O-N 2.88Å; S94-N97 PolarHBondContact O-N 3.22Å; S94-N97 VanDerWaalsContact O-N 3.16Å; S94-I98 PolarHBondContact O-N 3.35Å; S94-D101 WeakPolarHBondContact CB-OD2 3.35Å; S94-D101 PolarHBondContact OG-OD2 3.18Å; S94-Y138 PolarHBondContact O-OH 2.93Å; S94-R454 PolarHBondContact OG-NH2 2.73Å; S94-R454 VanDerWaalsContact OG-NH2 3.08Å
95	Y	97.9	Very high	95.6	Very high	21 Å²	21	41 Å²	41	8%	0.082	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-42.1	177.4	-175.6	-105.3	0	0	0	112	E62 A64 K67 D68 D93 Y138	E62-Y95 VanDerWaalsContact O-CB 3.26Å; E62-Y95 WeakPolarHBondContact O-CB 3.32Å; E62-Y95 PolarHBondContact O-N 3.34Å; E62-Y95 VanDerWaalsContact O-N 3.07Å; A64-Y95 HydrophobicContact CB-CD1 3.43Å; A64-Y95 VanDerWaalsContact CB-CD1 3.43Å; A64-Y95 HydrophobicContact CB-CE1 4.21Å; A64-Y95 HydrophobicContact CB-CG 3.79Å; K67-Y95 HydrophobicContact CB-CE1 4.49Å; D68-Y95 WeakPolarHBondContact CB-OH 3.44Å; D68-Y95 VanDerWaalsContact OD2-CE1 3.31Å; D68-Y95 WeakPolarHBondContact OD2-CE1 3.45Å; D68-Y95 PolarHBondContact OD2-OH 3.09Å; D93-Y95 PolarHBondContact O-N 3.19Å; Y95-Y138 HydrophobicContact CD2-CD1 4.11Å; Y95-Y138 AromaticContact CD2-CD2 3.65Å; Y95-Y138 HydrophobicContact CD2-CD2 3.65Å; Y95-Y138 HydrophobicContact CD2-CE1 4.37Å; Y95-Y138 AromaticContact CD2-CE2 3.97Å; Y95-Y138 HydrophobicContact CD2-CE2 3.97Å; Y95-Y138 AromaticContact CD2-CG 3.76Å; Y95-Y138 HydrophobicContact CD2-CG 3.76Å; Y95-Y138 HydrophobicContact CE2-CD1 4.33Å; Y95-Y138 AromaticContact CE2-CD2 3.92Å; Y95-Y138 HydrophobicContact CE2-CD2 3.92Å; Y95-Y138 AromaticContact CE2-CG 3.75Å; Y95-Y138 HydrophobicContact CE2-CG 3.75Å; Y95-Y138 HydrophobicContact CG-CD2 4.45Å; Y95-Y138 WeakPolarHBondContact O-CE2 3.33Å
96	H	96.6	Very high	96.4	Very high	103 Å²	103	40.5 Å²	40.5	48%	0.477	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-18.3	176.1	-53.4	109.6	0	0	0	112.9	D93 S94	D93-H96 PolarHBondContact O-N 2.83Å; D93-H96 IonicContact OD1-CE1 2.63Å; D93-H96 IonicContact OD1-CG 2.88Å; D93-H96 IonicContact OD1-ND1 3.96Å; D93-H96 PolarHBondContact OD1-ND1 3.4Å; D93-H96 IonicContact OD2-CG 3.7Å; D93-H96 IonicContact OD2-ND1 3.28Å; D93-H96 PolarHBondContact OD2-ND1 3.26Å; S94-H96 VanDerWaalsContact C-N 3.29Å; S94-H96 PolarHBondContact O-N 2.88Å
97	N	96.2	Very high	96.7	Very high	39 Å²	39	43.1 Å²	43.1	21%	0.209	20%	0.201	C	C	.	.			trans	-113.4	34.1	-168.8	-68.1	-71.5	0	0	0	115.7	D93 S94 H99 A100 D101	D93-N97 VanDerWaalsContact O-CB 3.31Å; D93-N97 WeakPolarHBondContact O-CB 3.45Å; D93-N97 PolarHBondContact O-N 3.17Å; D93-N97 VanDerWaalsContact O-N 3.16Å; D93-N97 PolarHBondContact O-ND2 2.84Å; D93-N97 PolarHBondContact OD2-ND2 3.26Å; S94-N97 PolarHBondContact O-N 3.22Å; S94-N97 VanDerWaalsContact O-N 3.16Å; N97-H99 PolarHBondContact O-N 2.97Å; N97-A100 HydrophobicContact CB-CB 4.25Å; N97-A100 WeakPolarHBondContact O-CB 3.34Å; N97-A100 PolarHBondContact O-N 3.03Å; N97-D101 PolarHBondContact O-N 2.93Å
98	I	96.7	Very high	96.9	Very high	20 Å²	20	41.1 Å²	41.1	10%	0.103	19%	0.188	C	C	.	.	H	α-helix	trans	-46.7	-42.1	175.9	-59.1	176.5	0	0	0	112.1	S94 A100 D101 I102 Y138 T141 L142 R145	S94-I98 PolarHBondContact O-N 3.35Å; I98-A100 VanDerWaalsContact C-N 3.29Å; I98-A100 PolarHBondContact O-N 3.24Å; I98-D101 PolarHBondContact O-N 3.48Å; I98-I102 HydrophobicContact CG2-CG1 3.94Å; I98-I102 WeakPolarHBondContact O-CB 3.46Å; I98-I102 VanDerWaalsContact O-CG1 3.24Å; I98-I102 WeakPolarHBondContact O-CG1 3.29Å; I98-I102 PolarHBondContact O-N 3.08Å; I98-Y138 HydrophobicContact CD1-CD2 3.58Å; I98-Y138 HydrophobicContact CD1-CE2 3.55Å; I98-Y138 HydrophobicContact CG1-CD2 4.01Å; I98-Y138 HydrophobicContact CG1-CE2 3.44Å; I98-Y138 VanDerWaalsContact CG1-CE2 3.44Å; I98-T141 HydrophobicContact CD1-CG2 4.06Å; I98-L142 HydrophobicContact CG2-CD1 4.15Å; I98-R145 HydrophobicContact CG2-CG 4.39Å
99	H	96.9	Very high	97.1	Very high	111 Å²	111	43.1 Å²	43.1	51%	0.514	21%	0.209	S	C	.	.	H	α-helix	trans	-62.6	-34.4	-178.9	-71.4	-65.2	0	0	0	113.3	N97 R103	N97-H99 PolarHBondContact O-N 2.97Å; H99-R103 VanDerWaalsContact O-CG 3.31Å; H99-R103 WeakPolarHBondContact O-CG 3.41Å; H99-R103 PolarHBondContact O-N 3.3Å; H99-R103 PolarHBondContact O-NH1 3.4Å
100	A	97.2	Very high	97.3	Very high	7 Å²	7	42 Å²	42	6%	0.058	20%	0.203	C	C	.	.	H	α-helix	trans	-70.9	-43.2	177.5	0	0	0	0	0	111.3	N97 I98 R103 A104	N97-A100 HydrophobicContact CB-CB 4.25Å; N97-A100 WeakPolarHBondContact O-CB 3.34Å; N97-A100 PolarHBondContact O-N 3.03Å; I98-A100 VanDerWaalsContact C-N 3.29Å; I98-A100 PolarHBondContact O-N 3.24Å; A100-R103 WeakPolarHBondContact O-CB 3.28Å; A100-R103 PolarHBondContact O-N 3.27Å; A100-A104 PolarHBondContact O-N 2.89Å
101	D	98.3	Very high	97.5	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-66.2	-42.5	178.4	-62	-23.8	0	0	0	111.7	S94 N97 I98 R103 A104 I105 L426 R454	S94-D101 WeakPolarHBondContact CB-OD2 3.35Å; S94-D101 PolarHBondContact OG-OD2 3.18Å; N97-D101 PolarHBondContact O-N 2.93Å; I98-D101 PolarHBondContact O-N 3.48Å; D101-R103 VanDerWaalsContact C-N 3.28Å; D101-R103 PolarHBondContact O-N 3.04Å; D101-A104 WeakPolarHBondContact O-CB 3.36Å; D101-A104 PolarHBondContact O-N 2.83Å; D101-A104 VanDerWaalsContact O-N 3.14Å; D101-I105 VanDerWaalsContact O-CG1 3.26Å; D101-I105 WeakPolarHBondContact O-CG1 3.43Å; D101-I105 PolarHBondContact O-N 3.35Å; D101-L426 HydrophobicContact CB-CD2 4.25Å; D101-R454 IonicContact OD1-CZ 2.67Å; D101-R454 VanDerWaalsContact OD1-CZ 3.29Å; D101-R454 IonicContact OD1-NE 3.73Å; D101-R454 PolarHBondContact OD1-NE 3.05Å; D101-R454 IonicContact OD1-NH2 3.62Å; D101-R454 PolarHBondContact OD1-NH2 2.8Å; D101-R454 IonicContact OD2-NH2 3.74Å
102	I	98.5	Very high	97.8	Very high	17 Å²	17	41.7 Å²	41.7	9%	0.087	20%	0.2	C	C	.	.	H	α-helix	trans	-61.2	-37.1	175.4	-68.6	-66.4	0	0	0	111.4	I98 R106 L142 R145 L146 I149	I98-I102 HydrophobicContact CG2-CG1 3.94Å; I98-I102 WeakPolarHBondContact O-CB 3.46Å; I98-I102 VanDerWaalsContact O-CG1 3.24Å; I98-I102 WeakPolarHBondContact O-CG1 3.29Å; I98-I102 PolarHBondContact O-N 3.08Å; I102-R106 VanDerWaalsContact O-CB 3.31Å; I102-R106 WeakPolarHBondContact O-CB 3.48Å; I102-R106 PolarHBondContact O-N 3.14Å; I102-L142 HydrophobicContact CD1-CD1 4.1Å; I102-R145 HydrophobicContact CD1-CB 3.72Å; I102-R145 HydrophobicContact CG1-CB 3.83Å; I102-L146 HydrophobicContact CD1-CD2 3.65Å; I102-L146 HydrophobicContact CD1-CG 3.99Å; I102-I149 HydrophobicContact CG2-CD1 4.16Å; I102-I149 HydrophobicContact CG2-CG2 4.19Å
103	R	98.3	Very high	97.9	Very high	160 Å²	160	41.9 Å²	41.9	60%	0.604	20%	0.201	S	C	*	.	H	α-helix	trans	-64.4	-45.2	173.3	-76.6	-171.8	-53.7	-96	5.7	111.6	H99 A100 D101 R106 Q107	H99-R103 VanDerWaalsContact O-CG 3.31Å; H99-R103 WeakPolarHBondContact O-CG 3.41Å; H99-R103 PolarHBondContact O-N 3.3Å; H99-R103 PolarHBondContact O-NH1 3.4Å; A100-R103 WeakPolarHBondContact O-CB 3.28Å; A100-R103 PolarHBondContact O-N 3.27Å; D101-R103 VanDerWaalsContact C-N 3.28Å; D101-R103 PolarHBondContact O-N 3.04Å; R103-R106 PolarHBondContact O-N 3.04Å; R103-Q107 WeakPolarHBondContact O-CB 3.39Å; R103-Q107 PolarHBondContact O-N 2.92Å
104	A	98.4	Very high	98	Very high	3 Å²	3	40.8 Å²	40.8	3%	0.025	20%	0.195	C	C	.	.	H	α-helix	trans	-60.9	-47.8	177.7	0	0	0	0	0	111.7	A100 D101 R106 Q107 L108 L426 Y443 R454	A100-A104 PolarHBondContact O-N 2.89Å; D101-A104 WeakPolarHBondContact O-CB 3.36Å; D101-A104 PolarHBondContact O-N 2.83Å; D101-A104 VanDerWaalsContact O-N 3.14Å; A104-R106 VanDerWaalsContact C-N 3.33Å; A104-R106 PolarHBondContact O-N 3.34Å; A104-Q107 PolarHBondContact O-N 3.34Å; A104-L108 PolarHBondContact O-N 3.38Å; A104-L426 HydrophobicContact CB-CD1 4.11Å; A104-Y443 HydrophobicContact CB-CD1 4Å; A104-Y443 HydrophobicContact CB-CD2 3.91Å; A104-Y443 HydrophobicContact CB-CE1 3.76Å; A104-Y443 HydrophobicContact CB-CE2 3.7Å; A104-Y443 HydrophobicContact CB-CG 4.06Å; A104-Y443 PolarHBondContact O-OH 2.61Å; A104-Y443 VanDerWaalsContact O-OH 3.12Å; A104-R454 HydrophobicContact CB-CB 4.31Å
105	I	98.8	Very high	98	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-57.7	-46.6	176.5	-68.2	164.6	0	0	0	110.8	D101 Q107 L108 G109 V110 Y113 L146 I149 V151 L426	D101-I105 VanDerWaalsContact O-CG1 3.26Å; D101-I105 WeakPolarHBondContact O-CG1 3.43Å; D101-I105 PolarHBondContact O-N 3.35Å; I105-Q107 VanDerWaalsContact C-N 3.34Å; I105-Q107 PolarHBondContact O-N 3.48Å; I105-L108 PolarHBondContact O-N 2.62Å; I105-G109 PolarHBondContact O-N 2.75Å; I105-V110 HydrophobicContact CG2-CG2 3.67Å; I105-Y113 HydrophobicContact CD1-CD1 3.71Å; I105-Y113 HydrophobicContact CD1-CD2 3.7Å; I105-Y113 HydrophobicContact CD1-CE1 3.82Å; I105-Y113 HydrophobicContact CD1-CE2 3.85Å; I105-Y113 HydrophobicContact CD1-CG 3.62Å; I105-Y113 HydrophobicContact CG1-CD2 4.11Å; I105-Y113 HydrophobicContact CG1-CE2 4.35Å; I105-Y113 HydrophobicContact CG1-CG 4.38Å; I105-L146 HydrophobicContact CD1-CD2 3.9Å; I105-L146 HydrophobicContact CG2-CD2 4.45Å; I105-I149 HydrophobicContact CB-CD1 4.4Å; I105-I149 HydrophobicContact CG2-CD1 3.84Å; I105-V151 HydrophobicContact CG2-CB 4.49Å; I105-V151 HydrophobicContact CG2-CG1 4.15Å; I105-V151 HydrophobicContact CG2-CG2 3.93Å; I105-L426 HydrophobicContact CD1-CD2 3.98Å; I105-L426 HydrophobicContact CG1-CD1 3.97Å; I105-L426 HydrophobicContact CG1-CD2 3.68Å
106	R	98.1	Very high	98	Very high	168 Å²	168	40 Å²	40	63%	0.634	19%	0.192	S	C	*	.	H	α-helix	trans	-62.8	-40.6	178.1	-170.1	179.6	-143.4	151.4	8.4	112.2	I102 R103 A104 L108 G109 I149	I102-R106 VanDerWaalsContact O-CB 3.31Å; I102-R106 WeakPolarHBondContact O-CB 3.48Å; I102-R106 PolarHBondContact O-N 3.14Å; R103-R106 PolarHBondContact O-N 3.04Å; A104-R106 VanDerWaalsContact C-N 3.33Å; A104-R106 PolarHBondContact O-N 3.34Å; R106-L108 VanDerWaalsContact C-N 3.33Å; R106-G109 PolarHBondContact O-N 3.24Å; R106-I149 HydrophobicContact CB-CD1 4.25Å
107	Q	97.8	Very high	98.2	Very high	80 Å²	80	35.1 Å²	35.1	37%	0.374	17%	0.17	S	C	.	.	H	α-helix	trans	-66.6	-34.2	179.5	178.1	-175.9	6.3	0	0	112.2	R103 A104 I105 G109 Y443 R464	R103-Q107 WeakPolarHBondContact O-CB 3.39Å; R103-Q107 PolarHBondContact O-N 2.92Å; A104-Q107 PolarHBondContact O-N 3.34Å; I105-Q107 VanDerWaalsContact C-N 3.34Å; I105-Q107 PolarHBondContact O-N 3.48Å; Q107-G109 VanDerWaalsContact C-N 3.29Å; Q107-G109 PolarHBondContact O-N 3.36Å; Q107-Y443 WeakPolarHBondContact CB-OH 3.33Å; Q107-Y443 WeakPolarHBondContact CG-OH 3.44Å; Q107-Y443 PolarHBondContact OE1-OH 2.92Å; Q107-R464 WeakPolarHBondContact O-CD 2.97Å; Q107-R464 WeakPolarHBondContact O-CG 3.19Å
108	L	98.2	Very high	98.3	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-68.1	-28.6	174.3	-70.2	174.8	0	0	0	113	V54 A104 I105 R106 V110 L426 L442 Y443 A460 Y463	V54-L108 HydrophobicContact CB-CD1 4.26Å; V54-L108 HydrophobicContact CG1-CD1 4.11Å; V54-L108 HydrophobicContact CG2-CD1 4.17Å; A104-L108 PolarHBondContact O-N 3.38Å; I105-L108 PolarHBondContact O-N 2.62Å; R106-L108 VanDerWaalsContact C-N 3.33Å; L108-V110 VanDerWaalsContact C-N 3.31Å; L108-V110 HydrophobicContact CB-CG1 4.05Å; L108-V110 HydrophobicContact CD1-CG1 4.49Å; L108-L426 HydrophobicContact CD1-CD1 3.76Å; L108-L442 HydrophobicContact CD1-CD1 4.03Å; L108-L442 HydrophobicContact CD2-CD1 4.26Å; L108-Y443 HydrophobicContact CD1-CE2 3.94Å; L108-Y443 HydrophobicContact CD2-CE2 3.95Å; L108-Y443 HydrophobicContact CG-CE2 3.78Å; L108-A460 HydrophobicContact CD2-CB 3.88Å; L108-Y463 HydrophobicContact CD2-CD1 4.47Å
109	G	97.8	Very high	98.4	Very high	44 Å²	44	32.5 Å²	32.5	45%	0.454	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	22.1	-176.2	0	0	0	0	0	113.8	I105 R106 Q107 I467	I105-G109 PolarHBondContact O-N 2.75Å; R106-G109 PolarHBondContact O-N 3.24Å; Q107-G109 VanDerWaalsContact C-N 3.29Å; Q107-G109 PolarHBondContact O-N 3.36Å; G109-I467 WeakPolarHBondContact O-CG2 3.43Å
110	V	98.6	Very high	98.4	Very high	8 Å²	8	27.2 Å²	27.2	5%	0.048	13%	0.132	C	C	.	.			trans	-63.6	153.9	175.7	-68.9	0	0	0	0	111.6	V54 I105 L108 Y463 I467	V54-V110 HydrophobicContact CB-CG1 4.23Å; V54-V110 HydrophobicContact CG1-CG1 4.21Å; V54-V110 HydrophobicContact CG1-CG2 4.05Å; I105-V110 HydrophobicContact CG2-CG2 3.67Å; L108-V110 VanDerWaalsContact C-N 3.31Å; L108-V110 HydrophobicContact CB-CG1 4.05Å; L108-V110 HydrophobicContact CD1-CG1 4.49Å; V110-Y463 HydrophobicContact CG1-CE1 3.94Å; V110-I467 HydrophobicContact CG1-CD1 3.64Å
111	T	98.6	Very high	98.5	Very high	54 Å²	54	27 Å²	27	33%	0.331	13%	0.13	S	C	.	.	S	Bend	trans	-91.5	-27.7	176.6	60.6	0	0	0	0	112.4	W52 V151 Q152	W52-T111 PolarHBondContact N-OG1 2.96Å; W52-T111 VanDerWaalsContact N-OG1 3.14Å; W52-T111 PolarHBondContact O-N 3.22Å; W52-T111 PolarHBondContact O-OG1 2.87Å; T111-V151 WeakPolarHBondContact O-CA 3.46Å; T111-Q152 PolarHBondContact O-N 3.48Å
112	H	98.8	Very high	98.5	Very high	10 Å²	10	26.8 Å²	26.8	5%	0.046	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	148.3	-176.8	-66.4	72.1	0	0	0	110.8	M51 W52 A53 V54 Q152 V154 Y199	M51-H112 VanDerWaalsContact CG-CE1 3.45Å; M51-H112 WeakPolarHBondContact CG-CE1 3.33Å; W52-H112 PolarHBondContact O-N 3.18Å; W52-H112 VanDerWaalsContact O-N 3.08Å; A53-H112 VanDerWaalsContact CA-O 3.24Å; A53-H112 WeakPolarHBondContact CA-O 3.42Å; A53-H112 HydrophobicContact CB-CB 3.79Å; V54-H112 PolarHBondContact N-O 3.09Å; H112-Q152 CarbonylContact C-O 3.56Å; H112-Q152 VanDerWaalsContact CA-O 3.23Å; H112-Q152 WeakPolarHBondContact CA-O 3.23Å; H112-Q152 PolarHBondContact NE2-OE1 2.92Å; H112-V154 HydrophobicContact CB-CG2 4.05Å; H112-Y199 AromaticContact NE2-CE2 3.83Å
113	Y	98.9	Very high	98.5	Very high	5 Å²	5	26.1 Å²	26.1	2%	0.02	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	121.6	171.7	177	-124.2	0	0	0	110	V54 T56 I105 F115 L142 L146 Q152 V154 L426	V54-Y113 HydrophobicContact CG1-CD2 3.82Å; V54-Y113 HydrophobicContact CG1-CE2 4.36Å; V54-Y113 VanDerWaalsContact O-CD2 3.27Å; V54-Y113 WeakPolarHBondContact O-CD2 3.03Å; T56-Y113 HydrophobicContact CG2-CE2 4.04Å; T56-Y113 VanDerWaalsContact CG2-OH 3.27Å; T56-Y113 WeakPolarHBondContact CG2-OH 3.25Å; T56-Y113 PolarHBondContact OG1-OH 3.3Å; I105-Y113 HydrophobicContact CD1-CD1 3.71Å; I105-Y113 HydrophobicContact CD1-CD2 3.7Å; I105-Y113 HydrophobicContact CD1-CE1 3.82Å; I105-Y113 HydrophobicContact CD1-CE2 3.85Å; I105-Y113 HydrophobicContact CD1-CG 3.62Å; I105-Y113 HydrophobicContact CG1-CD2 4.11Å; I105-Y113 HydrophobicContact CG1-CE2 4.35Å; I105-Y113 HydrophobicContact CG1-CG 4.38Å; Y113-F115 HydrophobicContact CD1-CB 4.33Å; Y113-F115 AromaticContact CD1-CD1 3.7Å; Y113-F115 HydrophobicContact CD1-CD1 3.7Å; Y113-F115 HydrophobicContact CD1-CG 4.38Å; Y113-F115 HydrophobicContact CE1-CB 3.76Å; Y113-F115 AromaticContact CE1-CD1 3.85Å; Y113-F115 HydrophobicContact CE1-CD1 3.85Å; Y113-F115 HydrophobicContact CE1-CG 4.07Å; Y113-L142 HydrophobicContact CE1-CD2 4.46Å; Y113-L146 HydrophobicContact CD1-CD1 3.77Å; Y113-L146 HydrophobicContact CD1-CD2 3.79Å; Y113-L146 HydrophobicContact CD1-CG 4.4Å; Y113-L146 HydrophobicContact CG-CD2 4.19Å; Y113-Q152 PolarHBondContact N-O 3.13Å; Y113-V154 PolarHBondContact O-N 3.4Å; Y113-L426 HydrophobicContact CE2-CB 4.36Å; Y113-L426 HydrophobicContact CE2-CD2 3.77Å
114	R	98.8	Very high	98.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	122.6	178.1	-174.9	179	-178.3	-143.1	-9.7	110.1	V54 G55 T56 V154 T156 D204 V379 T422	V54-R114 PolarHBondContact O-N 3.37Å; G55-R114 CarbonylContact C-O 3.58Å; G55-R114 VanDerWaalsContact CA-O 3.23Å; G55-R114 WeakPolarHBondContact CA-O 3.21Å; T56-R114 PolarHBondContact N-O 3.3Å; R114-V154 VanDerWaalsContact CA-O 3.25Å; R114-V154 WeakPolarHBondContact CA-O 2.98Å; R114-V154 HydrophobicContact CB-CB 4.02Å; R114-V154 HydrophobicContact CB-CG1 4.33Å; R114-V154 HydrophobicContact CG-CB 4.19Å; R114-V154 HydrophobicContact CG-CG1 4.03Å; R114-T156 PolarHBondContact NE-OG1 3.38Å; R114-T156 PolarHBondContact NH2-OG1 2.94Å; R114-T156 VanDerWaalsContact NH2-OG1 3.12Å; R114-D204 IonicContact CZ-OD2 2.67Å; R114-D204 VanDerWaalsContact CZ-OD2 3.25Å; R114-D204 IonicContact NH1-OD2 2.59Å; R114-D204 PolarHBondContact NH1-OD2 2.94Å; R114-D204 VanDerWaalsContact NH1-OD2 3.17Å; R114-D204 IonicContact NH2-OD2 3.09Å; R114-D204 PolarHBondContact NH2-OD2 3.47Å; R114-V379 VanDerWaalsContact CD-O 3.29Å; R114-V379 WeakPolarHBondContact CD-O 3.43Å; R114-V379 PolarHBondContact NH1-O 3.21Å; R114-T422 HydrophobicContact CB-CG2 4.18Å
115	F	98.9	Very high	98.4	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.018	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	163	174.1	67.8	-82.6	0	0	0	110.2	T56 Y113 L117 Y139 L142 I143 L146 P153 V154 V155 T156	T56-F115 WeakPolarHBondContact O-CA 3.3Å; Y113-F115 HydrophobicContact CD1-CB 4.33Å; Y113-F115 AromaticContact CD1-CD1 3.7Å; Y113-F115 HydrophobicContact CD1-CD1 3.7Å; Y113-F115 HydrophobicContact CD1-CG 4.38Å; Y113-F115 HydrophobicContact CE1-CB 3.76Å; Y113-F115 AromaticContact CE1-CD1 3.85Å; Y113-F115 HydrophobicContact CE1-CD1 3.85Å; Y113-F115 HydrophobicContact CE1-CG 4.07Å; F115-L117 HydrophobicContact CE2-CD2 3.9Å; F115-Y139 HydrophobicContact CD2-CD1 4.43Å; F115-Y139 AromaticContact CE2-CD1 3.96Å; F115-Y139 HydrophobicContact CE2-CD1 3.96Å; F115-L142 HydrophobicContact CD1-CD2 4.28Å; F115-L142 HydrophobicContact CD2-CD2 3.84Å; F115-L142 HydrophobicContact CE1-CD2 4.29Å; F115-L142 HydrophobicContact CE2-CD2 3.86Å; F115-L142 HydrophobicContact CG-CD2 4.06Å; F115-L142 HydrophobicContact CZ-CD2 4.08Å; F115-I143 HydrophobicContact CE1-CG1 4.36Å; F115-I143 HydrophobicContact CZ-CD1 4.14Å; F115-I143 HydrophobicContact CZ-CG1 3.73Å; F115-L146 HydrophobicContact CD1-CD1 4.39Å; F115-L146 HydrophobicContact CE1-CD1 3.91Å; F115-P153 HydrophobicContact CE1-CB 3.92Å; F115-V154 PolarHBondContact N-O 3.41Å; F115-V154 VanDerWaalsContact N-O 3.14Å; F115-V155 HydrophobicContact CE1-CG2 3.89Å; F115-V155 HydrophobicContact CE2-CG2 4.32Å; F115-V155 HydrophobicContact CZ-CG2 3.66Å; F115-T156 PolarHBondContact O-N 3.44Å
116	S	98.9	Very high	98.3	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.014	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	153.5	174.3	73.5	0	0	0	0	112.4	A58 T156 H159	A58-S116 VanDerWaalsContact CB-OG 3.29Å; A58-S116 WeakPolarHBondContact CB-OG 3.16Å; A58-S116 PolarHBondContact N-OG 2.05Å; S116-T156 CarbonylContact C-O 3.48Å; S116-T156 WeakPolarHBondContact CA-O 3.41Å; S116-T156 WeakPolarHBondContact CB-O 3.42Å; S116-H159 VanDerWaalsContact CB-CB 3.49Å; S116-H159 WeakPolarHBondContact OG-CB 3.24Å
117	L	98.8	Very high	98.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.104	C	C	.	.			trans	-88.1	134.5	168.9	-56.8	179.2	0	0	0	108.9	F115 W119 I122 Y139 V155 T156 L157 Y185 C189 F193	F115-L117 HydrophobicContact CE2-CD2 3.9Å; L117-W119 PolarHBondContact O-N 3.24Å; L117-I122 HydrophobicContact CB-CD1 4.04Å; L117-I122 HydrophobicContact CD1-CD1 4.1Å; L117-I122 HydrophobicContact CG-CD1 4.47Å; L117-Y139 HydrophobicContact CD2-CD1 3.44Å; L117-Y139 VanDerWaalsContact CD2-CD1 3.44Å; L117-Y139 HydrophobicContact CD2-CD2 3.88Å; L117-Y139 HydrophobicContact CD2-CE1 3.81Å; L117-Y139 HydrophobicContact CD2-CE2 4.22Å; L117-Y139 HydrophobicContact CD2-CG 3.48Å; L117-Y139 VanDerWaalsContact CD2-CG 3.48Å; L117-V155 HydrophobicContact CD1-CG1 3.84Å; L117-V155 HydrophobicContact CD2-CG1 4.07Å; L117-V155 HydrophobicContact CG-CG1 3.64Å; L117-T156 PolarHBondContact N-O 3.27Å; L117-L157 HydrophobicContact CD1-CD2 4.1Å; L117-Y185 WeakPolarHBondContact CB-OH 3.39Å; L117-C189 HydrophobicContact CD1-CB 4.1Å; L117-C189 VanDerWaalsContact CD1-SG 3.56Å; L117-F193 HydrophobicContact CD1-CD2 4.06Å; L117-F193 HydrophobicContact CD1-CE2 3.83Å; L117-F193 HydrophobicContact CD2-CE2 4.36Å
118	S	98.6	Very high	98	Very high	5 Å²	5	18.4 Å²	18.4	4%	0.035	11%	0.106	C	C	.	.			trans	-79.8	108.7	170.2	-179	0	0	0	0	109.4	S120 R121 I122 Y139 D161	S118-S120 VanDerWaalsContact C-N 3.31Å; S118-S120 PolarHBondContact O-N 3.5Å; S118-R121 WeakPolarHBondContact O-CB 3.27Å; S118-R121 PolarHBondContact O-N 3.39Å; S118-I122 PolarHBondContact O-N 3.39Å; S118-I122 VanDerWaalsContact O-N 3.16Å; S118-Y139 VanDerWaalsContact CB-OH 3.25Å; S118-Y139 WeakPolarHBondContact CB-OH 3.28Å; S118-Y139 PolarHBondContact N-OH 2.87Å; S118-D161 WeakPolarHBondContact CA-OD2 3.47Å
119	W	98.6	Very high	97.8	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-57.9	-46.2	-179.8	-172.3	-2.4	0	0	0	110.7	L117 R121 I122 F123 G126 Y158 L162 P163 L166 W173 M178 I181 F182 Y185	L117-W119 PolarHBondContact O-N 3.24Å; W119-R121 PolarHBondContact O-N 3.11Å; W119-I122 PolarHBondContact O-N 2.8Å; W119-I122 VanDerWaalsContact O-N 3.14Å; W119-F123 AromaticContact NE1-CD2 3.94Å; W119-F123 CarbonylContact O-C 3.23Å; W119-F123 PolarHBondContact O-N 3.13Å; W119-G126 PolarHBondContact NE1-O 3.06Å; W119-Y158 HydrophobicContact CE3-CD2 4.13Å; W119-L162 HydrophobicContact CE3-CD1 4.02Å; W119-L162 HydrophobicContact CH2-CD1 4.45Å; W119-L162 HydrophobicContact CZ3-CD1 3.68Å; W119-P163 HydrophobicContact CB-CG 4.04Å; W119-P163 HydrophobicContact CD2-CG 3.82Å; W119-P163 HydrophobicContact CE3-CG 4.39Å; W119-P163 HydrophobicContact CG-CG 3.62Å; W119-L166 HydrophobicContact CH2-CD1 4Å; W119-L166 HydrophobicContact CZ2-CD1 3.9Å; W119-W173 HydrophobicContact CZ3-CH2 4.48Å; W119-W173 HydrophobicContact CZ3-CZ2 4.2Å; W119-M178 HydrophobicContact CH2-CE 3.73Å; W119-M178 HydrophobicContact CZ3-CE 4.03Å; W119-I181 HydrophobicContact CH2-CG2 4.01Å; W119-I181 HydrophobicContact CZ2-CG2 3.68Å; W119-F182 HydrophobicContact CE3-CD2 4.39Å; W119-F182 HydrophobicContact CH2-CB 4.03Å; W119-F182 AromaticContact CH2-CD2 3.92Å; W119-F182 HydrophobicContact CH2-CD2 3.92Å; W119-F182 HydrophobicContact CH2-CG 4.5Å; W119-F182 AromaticContact CZ3-CD2 3.77Å; W119-F182 HydrophobicContact CZ3-CD2 3.77Å; W119-Y185 HydrophobicContact CB-CE1 4.2Å; W119-Y185 HydrophobicContact CB-CE2 4.35Å; W119-Y185 AromaticContact CD1-CD2 3.59Å; W119-Y185 AromaticContact CD1-CE2 3.72Å; W119-Y185 AromaticContact CD1-CG 3.84Å; W119-Y185 AromaticContact CD2-CD1 3.95Å; W119-Y185 HydrophobicContact CD2-CD1 3.95Å; W119-Y185 HydrophobicContact CD2-CE1 4.16Å; W119-Y185 HydrophobicContact CD2-CG 4.18Å; W119-Y185 AromaticContact CE2-CD1 3.95Å; W119-Y185 AromaticContact CE2-CG 3.78Å; W119-Y185 HydrophobicContact CE3-CD1 4.4Å; W119-Y185 HydrophobicContact CG-CD1 4.13Å; W119-Y185 HydrophobicContact CG-CD2 4.2Å; W119-Y185 HydrophobicContact CG-CE1 4Å; W119-Y185 HydrophobicContact CG-CE2 4.08Å; W119-Y185 HydrophobicContact CG-CG 4.21Å; W119-Y185 AromaticContact CG-CZ 3.97Å; W119-Y185 HydrophobicContact CZ2-CD1 4.38Å; W119-Y185 HydrophobicContact CZ2-CG 4.25Å; W119-Y185 AromaticContact NE1-CD2 3.72Å; W119-Y185 AromaticContact NE1-CG 3.62Å
120	S	98.1	Very high	97.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-68.6	-14.4	178.9	79.3	0	0	0	0	113.7	G71 S118 P124	G71-S120 PolarHBondContact N-O 3.45Å; G71-S120 VanDerWaalsContact O-CB 3.25Å; G71-S120 WeakPolarHBondContact O-CB 3.49Å; G71-S120 PolarHBondContact O-OG 3.37Å; S118-S120 VanDerWaalsContact C-N 3.31Å; S118-S120 PolarHBondContact O-N 3.5Å; S120-P124 VanDerWaalsContact O-CA 3.24Å; S120-P124 WeakPolarHBondContact O-CA 3.26Å
121	R	98.5	Very high	97.7	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-81.4	-38	171.2	-166.9	179.3	-58.8	-76.2	1.6	112.2	E62 G63 A64 K70 S118 W119 N132	E62-R121 IonicContact OE2-CZ 2.84Å; E62-R121 IonicContact OE2-NE 2.99Å; E62-R121 PolarHBondContact OE2-NE 3.3Å; E62-R121 IonicContact OE2-NH2 3.01Å; E62-R121 PolarHBondContact OE2-NH2 2.92Å; G63-R121 PolarHBondContact O-NH2 2.83Å; A64-R121 PolarHBondContact O-NH1 3.3Å; K70-R121 HydrophobicContact CB-CB 4.41Å; K70-R121 HydrophobicContact CB-CG 4.19Å; K70-R121 HydrophobicContact CD-CB 4.06Å; K70-R121 HydrophobicContact CD-CG 4.33Å; K70-R121 VanDerWaalsContact CD-CZ 3.42Å; K70-R121 HydrophobicContact CG-CB 4.1Å; K70-R121 HydrophobicContact CG-CG 4.37Å; S118-R121 WeakPolarHBondContact O-CB 3.27Å; S118-R121 PolarHBondContact O-N 3.39Å; W119-R121 PolarHBondContact O-N 3.11Å; R121-N132 VanDerWaalsContact O-CB 3.24Å; R121-N132 WeakPolarHBondContact O-CB 3.45Å; R121-N132 PolarHBondContact O-ND2 3.02Å
122	I	98.6	Very high	97.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-79	-44.9	178.6	-65.6	175	0	0	0	110.9	L117 S118 W119 N132 Y139 Y185 F188 F193	L117-I122 HydrophobicContact CB-CD1 4.04Å; L117-I122 HydrophobicContact CD1-CD1 4.1Å; L117-I122 HydrophobicContact CG-CD1 4.47Å; S118-I122 PolarHBondContact O-N 3.39Å; S118-I122 VanDerWaalsContact O-N 3.16Å; W119-I122 PolarHBondContact O-N 2.8Å; W119-I122 VanDerWaalsContact O-N 3.14Å; I122-N132 PolarHBondContact O-N 2.89Å; I122-Y139 HydrophobicContact CD1-CD2 4.07Å; I122-Y139 HydrophobicContact CD1-CE2 4.05Å; I122-Y139 HydrophobicContact CG1-CD2 4.18Å; I122-Y139 HydrophobicContact CG1-CE2 3.95Å; I122-Y185 HydrophobicContact CB-CE2 4.34Å; I122-Y185 HydrophobicContact CD1-CE2 4.09Å; I122-Y185 HydrophobicContact CG2-CE2 4.36Å; I122-F188 HydrophobicContact CG2-CD1 3.88Å; I122-F188 HydrophobicContact CG2-CE1 3.64Å; I122-F193 HydrophobicContact CD1-CE2 4.33Å
123	F	98.5	Very high	97.6	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.009	16%	0.159	C	C	.	.	S	Bend	trans	-127.8	91.6	176.6	-62.6	-44.4	0	0	0	109.4	W119 N125 G126 T127 R128 S130 Y131 Y185 F188	W119-F123 AromaticContact NE1-CD2 3.94Å; W119-F123 CarbonylContact O-C 3.23Å; W119-F123 PolarHBondContact O-N 3.13Å; F123-N125 VanDerWaalsContact C-N 3.27Å; F123-N125 PolarHBondContact O-N 3.31Å; F123-G126 WeakPolarHBondContact O-CA 3.26Å; F123-G126 PolarHBondContact O-N 3.32Å; F123-T127 WeakPolarHBondContact CD1-O 3.29Å; F123-R128 HydrophobicContact CE1-CB 4.44Å; F123-R128 HydrophobicContact CE1-CG 4.33Å; F123-R128 HydrophobicContact CE2-CG 4.27Å; F123-R128 HydrophobicContact CZ-CB 4.47Å; F123-R128 HydrophobicContact CZ-CG 3.88Å; F123-S130 WeakPolarHBondContact CA-OG 3.27Å; F123-Y131 HydrophobicContact CD1-CD2 4.33Å; F123-Y131 AromaticContact CE1-CD2 3.67Å; F123-Y131 HydrophobicContact CE1-CD2 3.67Å; F123-Y131 HydrophobicContact CE1-CG 4.21Å; F123-Y185 AromaticContact CD2-CD2 3.66Å; F123-Y185 HydrophobicContact CD2-CD2 3.66Å; F123-Y185 HydrophobicContact CD2-CE2 4.47Å; F123-Y185 HydrophobicContact CD2-CG 4.47Å; F123-Y185 AromaticContact CE2-CD2 3.76Å; F123-Y185 HydrophobicContact CE2-CD2 3.76Å; F123-F188 HydrophobicContact CE2-CB 4.08Å; F123-F188 HydrophobicContact CE2-CD1 4.22Å; F123-F188 HydrophobicContact CE2-CG 4.15Å; F123-F188 HydrophobicContact CZ-CB 3.89Å; F123-F188 AromaticContact CZ-CD1 3.84Å; F123-F188 HydrophobicContact CZ-CD1 3.84Å; F123-F188 AromaticContact CZ-CD2 3.98Å; F123-F188 HydrophobicContact CZ-CD2 3.98Å; F123-F188 HydrophobicContact CZ-CE1 4.44Å; F123-F188 AromaticContact CZ-CG 3.6Å; F123-F188 HydrophobicContact CZ-CG 3.6Å
124	P	98	Very high	97.6	Very high	29 Å²	29	33 Å²	33	19%	0.188	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-39	178.6	-32.2	38.6	0	0	0	116	G69 S120 S130 N132	G69-P124 WeakPolarHBondContact O-CG 3.37Å; S120-P124 VanDerWaalsContact O-CA 3.24Å; S120-P124 WeakPolarHBondContact O-CA 3.26Å; P124-S130 WeakPolarHBondContact CD-O 3.1Å; P124-S130 WeakPolarHBondContact CD-OG 3.49Å; P124-N132 HydrophobicContact CG-CB 4.21Å
125	N	96.6	Very high	97.4	Very high	52 Å²	52	33 Å²	33	28%	0.278	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	3.7	175.1	77.7	6.3	0	0	0	113.6	F123 T127 S130 H165	F123-N125 VanDerWaalsContact C-N 3.27Å; F123-N125 PolarHBondContact O-N 3.31Å; N125-T127 PolarHBondContact OD1-N 3Å; N125-T127 PolarHBondContact OD1-O 2.73Å; N125-T127 PolarHBondContact OD1-OG1 2.85Å; N125-S130 VanDerWaalsContact CG-CB 3.41Å; N125-S130 PolarHBondContact N-OG 2.89Å; N125-S130 VanDerWaalsContact N-OG 3.1Å; N125-S130 VanDerWaalsContact OD1-CB 3.25Å; N125-S130 WeakPolarHBondContact OD1-CB 3.13Å; N125-S130 PolarHBondContact OD1-OG 2.84Å; N125-H165 HydrophobicContact CB-CB 4.27Å; N125-H165 PolarHBondContact O-ND1 2.78Å
126	G	96.1	Very high	97.4	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.01	18%	0.181	C	C	.	.	S	Bend	trans	88	-9.4	-179	0	0	0	0	0	116.1	W119 F123	W119-G126 PolarHBondContact NE1-O 3.06Å; F123-G126 WeakPolarHBondContact O-CA 3.26Å; F123-G126 PolarHBondContact O-N 3.32Å
127	T	96.3	Very high	97.3	Very high	56 Å²	56	36.7 Å²	36.7	34%	0.344	20%	0.202	S	C	.	.	S	Bend	trans	-115.9	158.8	-178.8	71.2	0	0	0	0	112.4	F123 N125 G129 S130 L166	F123-T127 WeakPolarHBondContact CD1-O 3.29Å; N125-T127 PolarHBondContact OD1-N 3Å; N125-T127 PolarHBondContact OD1-O 2.73Å; N125-T127 PolarHBondContact OD1-OG1 2.85Å; T127-G129 PolarHBondContact O-N 3.44Å; T127-G129 VanDerWaalsContact O-N 3.08Å; T127-S130 PolarHBondContact O-N 2.8Å; T127-S130 PolarHBondContact O-OG 2.96Å; T127-L166 HydrophobicContact CG2-CD2 4.45Å
128	R	93.9	Very high	97.3	Very high	111 Å²	111	37.7 Å²	37.7	42%	0.419	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-53.5	-30.6	-179	-72.6	-174.7	173.2	-169	-3.8	114.6	F123 S130 Y131 D184 D187	F123-R128 HydrophobicContact CE1-CB 4.44Å; F123-R128 HydrophobicContact CE1-CG 4.33Å; F123-R128 HydrophobicContact CE2-CG 4.27Å; F123-R128 HydrophobicContact CZ-CB 4.47Å; F123-R128 HydrophobicContact CZ-CG 3.88Å; R128-S130 PolarHBondContact O-N 2.86Å; R128-S130 VanDerWaalsContact O-N 3.14Å; R128-Y131 WeakPolarHBondContact O-CB 3.36Å; R128-Y131 PolarHBondContact O-N 3.01Å; R128-Y131 VanDerWaalsContact O-N 3.09Å; R128-D184 PolarHBondContact NE-O 3.48Å; R128-D184 PolarHBondContact NH2-O 3.49Å; R128-D187 IonicContact CZ-OD2 2.92Å; R128-D187 IonicContact NH1-OD2 2.85Å; R128-D187 VanDerWaalsContact NH2-CB 3.32Å; R128-D187 IonicContact NH2-OD2 3.33Å; R128-D187 PolarHBondContact NH2-OD2 3.02Å
129	G	94	Very high	97.3	Very high	78 Å²	78	37.4 Å²	37.4	80%	0.804	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-63	-17.2	179	0	0	0	0	0	114.2	T127	T127-G129 PolarHBondContact O-N 3.44Å; T127-G129 VanDerWaalsContact O-N 3.08Å
130	S	96.6	Very high	97.3	Very high	26 Å²	26	42 Å²	42	18%	0.182	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-98.1	8.8	176.3	65.1	0	0	0	0	114.4	F123 P124 N125 T127 R128 N132	F123-S130 WeakPolarHBondContact CA-OG 3.27Å; P124-S130 WeakPolarHBondContact CD-O 3.1Å; P124-S130 WeakPolarHBondContact CD-OG 3.49Å; N125-S130 VanDerWaalsContact CG-CB 3.41Å; N125-S130 PolarHBondContact N-OG 2.89Å; N125-S130 VanDerWaalsContact N-OG 3.1Å; N125-S130 VanDerWaalsContact OD1-CB 3.25Å; N125-S130 WeakPolarHBondContact OD1-CB 3.13Å; N125-S130 PolarHBondContact OD1-OG 2.84Å; T127-S130 PolarHBondContact O-N 2.8Å; T127-S130 PolarHBondContact O-OG 2.96Å; R128-S130 PolarHBondContact O-N 2.86Å; R128-S130 VanDerWaalsContact O-N 3.14Å; S130-N132 PolarHBondContact O-N 3.43Å
131	Y	98	Very high	97.3	Very high	85 Å²	85	44.2 Å²	44.2	33%	0.333	24%	0.235	S	C	.	.			trans	-38.6	121.2	-172.2	178.3	-124.5	0	0	0	115.2	F123 R128 E133 T136 F188	F123-Y131 HydrophobicContact CD1-CD2 4.33Å; F123-Y131 AromaticContact CE1-CD2 3.67Å; F123-Y131 HydrophobicContact CE1-CD2 3.67Å; F123-Y131 HydrophobicContact CE1-CG 4.21Å; R128-Y131 WeakPolarHBondContact O-CB 3.36Å; R128-Y131 PolarHBondContact O-N 3.01Å; R128-Y131 VanDerWaalsContact O-N 3.09Å; Y131-E133 HydrophobicContact CE1-CB 3.93Å; Y131-T136 HydrophobicContact CE2-CG2 4.28Å; Y131-T136 WeakPolarHBondContact CE2-OG1 3.44Å; Y131-F188 HydrophobicContact CD2-CE2 4.12Å; Y131-F188 AromaticContact CD2-CZ 3.92Å; Y131-F188 HydrophobicContact CD2-CZ 3.92Å; Y131-F188 HydrophobicContact CE2-CE1 4.01Å; Y131-F188 AromaticContact CE2-CE2 3.73Å; Y131-F188 HydrophobicContact CE2-CE2 3.73Å; Y131-F188 AromaticContact CE2-CZ 3.22Å; Y131-F188 HydrophobicContact CE2-CZ 3.22Å; Y131-F188 AromaticContact CZ-CZ 3.84Å
132	N	97.9	Very high	97.4	Very high	17 Å²	17	44.4 Å²	44.4	9%	0.091	24%	0.236	C	C	.	.			trans	-104.3	104.5	175.4	-179.9	6.7	0	0	0	110.8	D68 R121 I122 P124 S130 I134 G135 T136	D68-N132 PolarHBondContact O-ND2 3Å; D68-N132 PolarHBondContact O-OD1 3.17Å; R121-N132 VanDerWaalsContact O-CB 3.24Å; R121-N132 WeakPolarHBondContact O-CB 3.45Å; R121-N132 PolarHBondContact O-ND2 3.02Å; I122-N132 PolarHBondContact O-N 2.89Å; P124-N132 HydrophobicContact CG-CB 4.21Å; S130-N132 PolarHBondContact O-N 3.43Å; N132-I134 PolarHBondContact OD1-N 3.39Å; N132-I134 VanDerWaalsContact OD1-N 3.11Å; N132-G135 PolarHBondContact OD1-N 3.26Å; N132-T136 WeakPolarHBondContact O-CB 3.42Å; N132-T136 PolarHBondContact O-N 2.89Å; N132-T136 VanDerWaalsContact O-N 3.14Å; N132-T136 PolarHBondContact O-OG1 3.25Å
133	E	97.9	Very high	97.4	Very high	125 Å²	125	44.6 Å²	44.6	58%	0.584	24%	0.237	S	C	*	.	H	α-helix	trans	-66.2	-39.4	178.5	-176	170.7	-152.5	0	0	112.6	Y131 T136 N137	Y131-E133 HydrophobicContact CE1-CB 3.93Å; E133-T136 PolarHBondContact O-N 2.86Å; E133-N137 WeakPolarHBondContact O-CB 3.4Å; E133-N137 PolarHBondContact O-N 2.83Å
134	I	97.6	Very high	97.4	Very high	99 Å²	99	50.7 Å²	50.7	51%	0.508	26%	0.263	S	S	.	.	H	α-helix	trans	-64.6	-49.2	-177.3	-56.4	173.6	0	0	0	109.8	D68 N132 T136 N137 Y138	D68-I134 HydrophobicContact CB-CB 4.16Å; D68-I134 HydrophobicContact CB-CD1 4.47Å; D68-I134 HydrophobicContact CB-CG2 3.65Å; N132-I134 PolarHBondContact OD1-N 3.39Å; N132-I134 VanDerWaalsContact OD1-N 3.11Å; I134-T136 VanDerWaalsContact C-N 3.28Å; I134-T136 PolarHBondContact O-N 3.21Å; I134-N137 PolarHBondContact O-N 2.9Å; I134-N137 VanDerWaalsContact O-N 3.12Å; I134-Y138 PolarHBondContact O-N 3.43Å
135	G	95.4	Very high	97.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.7	-36.5	175.2	0	0	0	0	0	113.2	N132 Y138 Y139	N132-G135 PolarHBondContact OD1-N 3.26Å; G135-Y138 WeakPolarHBondContact O-CB 3.4Å; G135-Y139 WeakPolarHBondContact O-CD2 3.29Å
136	T	97.9	Very high	97.5	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-70.1	-37.1	175.7	-58.4	0	0	0	0	112.1	Y131 N132 E133 I134 Y138 Y139 R140 F188 F193	Y131-T136 HydrophobicContact CE2-CG2 4.28Å; Y131-T136 WeakPolarHBondContact CE2-OG1 3.44Å; N132-T136 WeakPolarHBondContact O-CB 3.42Å; N132-T136 PolarHBondContact O-N 2.89Å; N132-T136 VanDerWaalsContact O-N 3.14Å; N132-T136 PolarHBondContact O-OG1 3.25Å; E133-T136 PolarHBondContact O-N 2.86Å; I134-T136 VanDerWaalsContact C-N 3.28Å; I134-T136 PolarHBondContact O-N 3.21Å; T136-Y138 VanDerWaalsContact C-N 3.29Å; T136-Y138 PolarHBondContact O-N 3.06Å; T136-Y139 PolarHBondContact O-N 2.99Å; T136-R140 PolarHBondContact O-N 3.28Å; T136-R140 VanDerWaalsContact O-N 3.14Å; T136-F188 HydrophobicContact CG2-CE1 4.06Å; T136-F188 HydrophobicContact CG2-CZ 3.98Å; T136-F193 HydrophobicContact CG2-CE1 4.27Å; T136-F193 HydrophobicContact CG2-CZ 3.83Å
137	N	98.3	Very high	97.5	Very high	83 Å²	83	55.8 Å²	55.8	44%	0.444	28%	0.277	S	S	.	.	H	α-helix	trans	-68.1	-27.9	-179.3	-167.7	50.4	0	0	0	112.9	E133 I134 R140 T141	E133-N137 WeakPolarHBondContact O-CB 3.4Å; E133-N137 PolarHBondContact O-N 2.83Å; I134-N137 PolarHBondContact O-N 2.9Å; I134-N137 VanDerWaalsContact O-N 3.12Å; N137-R140 PolarHBondContact O-N 3.09Å; N137-T141 WeakPolarHBondContact O-CB 3.23Å; N137-T141 PolarHBondContact O-N 3.09Å; N137-T141 PolarHBondContact O-OG1 2.93Å
138	Y	98.4	Very high	97.6	Very high	20 Å²	20	57.7 Å²	57.7	8%	0.078	28%	0.282	C	S	.	.	H	α-helix	trans	-54.3	-51.4	168.3	165.8	-100.3	0	0	0	111.3	E62 S94 Y95 I98 I134 G135 T136 T141 L142	E62-Y138 HydrophobicContact CG-CE1 4.45Å; S94-Y138 PolarHBondContact O-OH 2.93Å; Y95-Y138 HydrophobicContact CD2-CD1 4.11Å; Y95-Y138 AromaticContact CD2-CD2 3.65Å; Y95-Y138 HydrophobicContact CD2-CD2 3.65Å; Y95-Y138 HydrophobicContact CD2-CE1 4.37Å; Y95-Y138 AromaticContact CD2-CE2 3.97Å; Y95-Y138 HydrophobicContact CD2-CE2 3.97Å; Y95-Y138 AromaticContact CD2-CG 3.76Å; Y95-Y138 HydrophobicContact CD2-CG 3.76Å; Y95-Y138 HydrophobicContact CE2-CD1 4.33Å; Y95-Y138 AromaticContact CE2-CD2 3.92Å; Y95-Y138 HydrophobicContact CE2-CD2 3.92Å; Y95-Y138 AromaticContact CE2-CG 3.75Å; Y95-Y138 HydrophobicContact CE2-CG 3.75Å; Y95-Y138 HydrophobicContact CG-CD2 4.45Å; Y95-Y138 WeakPolarHBondContact O-CE2 3.33Å; I98-Y138 HydrophobicContact CD1-CD2 3.58Å; I98-Y138 HydrophobicContact CD1-CE2 3.55Å; I98-Y138 HydrophobicContact CG1-CD2 4.01Å; I98-Y138 HydrophobicContact CG1-CE2 3.44Å; I98-Y138 VanDerWaalsContact CG1-CE2 3.44Å; I134-Y138 PolarHBondContact O-N 3.43Å; G135-Y138 WeakPolarHBondContact O-CB 3.4Å; T136-Y138 VanDerWaalsContact C-N 3.29Å; T136-Y138 PolarHBondContact O-N 3.06Å; Y138-T141 WeakPolarHBondContact O-CB 3.42Å; Y138-T141 PolarHBondContact O-N 2.88Å; Y138-L142 PolarHBondContact O-N 3.08Å
139	Y	98.7	Very high	97.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-68.1	-38.1	179.4	-61.3	-64.9	0	0	0	113	E62 F115 L117 S118 I122 G135 T136 T141 L142 I143	E62-Y139 VanDerWaalsContact CD-OH 3.25Å; E62-Y139 WeakPolarHBondContact OE1-CE1 3.26Å; E62-Y139 VanDerWaalsContact OE1-CZ 3.28Å; E62-Y139 PolarHBondContact OE1-OH 3.25Å; E62-Y139 PolarHBondContact OE2-OH 3.38Å; F115-Y139 HydrophobicContact CD2-CD1 4.43Å; F115-Y139 AromaticContact CE2-CD1 3.96Å; F115-Y139 HydrophobicContact CE2-CD1 3.96Å; L117-Y139 HydrophobicContact CD2-CD1 3.44Å; L117-Y139 VanDerWaalsContact CD2-CD1 3.44Å; L117-Y139 HydrophobicContact CD2-CD2 3.88Å; L117-Y139 HydrophobicContact CD2-CE1 3.81Å; L117-Y139 HydrophobicContact CD2-CE2 4.22Å; L117-Y139 HydrophobicContact CD2-CG 3.48Å; L117-Y139 VanDerWaalsContact CD2-CG 3.48Å; S118-Y139 VanDerWaalsContact CB-OH 3.25Å; S118-Y139 WeakPolarHBondContact CB-OH 3.28Å; S118-Y139 PolarHBondContact N-OH 2.87Å; I122-Y139 HydrophobicContact CD1-CD2 4.07Å; I122-Y139 HydrophobicContact CD1-CE2 4.05Å; I122-Y139 HydrophobicContact CG1-CD2 4.18Å; I122-Y139 HydrophobicContact CG1-CE2 3.95Å; G135-Y139 WeakPolarHBondContact O-CD2 3.29Å; T136-Y139 PolarHBondContact O-N 2.99Å; Y139-T141 VanDerWaalsContact C-N 3.26Å; Y139-T141 PolarHBondContact O-N 2.81Å; Y139-L142 PolarHBondContact O-N 3.01Å; Y139-I143 WeakPolarHBondContact O-CB 3.5Å; Y139-I143 WeakPolarHBondContact O-CG1 3.47Å; Y139-I143 PolarHBondContact O-N 3.49Å
140	R	98.6	Very high	98	Very high	95 Å²	95	60.8 Å²	60.8	36%	0.358	27%	0.271	S	S	.	.	H	α-helix	trans	-57.7	-43.1	172.3	-67.2	-175.2	-178.1	152.1	2.5	110.9	T136 N137 K144 F193	T136-R140 PolarHBondContact O-N 3.28Å; T136-R140 VanDerWaalsContact O-N 3.14Å; N137-R140 PolarHBondContact O-N 3.09Å; R140-K144 VanDerWaalsContact O-CB 3.29Å; R140-K144 WeakPolarHBondContact O-CB 3.37Å; R140-K144 PolarHBondContact O-N 2.93Å; R140-F193 HydrophobicContact CG-CD1 4.24Å; R140-F193 HydrophobicContact CG-CE1 3.73Å
141	T	98.5	Very high	98.1	Very high	48 Å²	48	59.9 Å²	59.9	29%	0.294	27%	0.265	S	S	.	.	H	α-helix	trans	-65	-47.2	177.9	-59.8	0	0	0	0	111.2	I98 N137 Y138 Y139 I143 K144 R145	I98-T141 HydrophobicContact CD1-CG2 4.06Å; N137-T141 WeakPolarHBondContact O-CB 3.23Å; N137-T141 PolarHBondContact O-N 3.09Å; N137-T141 PolarHBondContact O-OG1 2.93Å; Y138-T141 WeakPolarHBondContact O-CB 3.42Å; Y138-T141 PolarHBondContact O-N 2.88Å; Y139-T141 VanDerWaalsContact C-N 3.26Å; Y139-T141 PolarHBondContact O-N 2.81Å; T141-I143 PolarHBondContact O-N 3.33Å; T141-K144 PolarHBondContact O-N 2.89Å; T141-R145 HydrophobicContact CG2-CG 4.47Å; T141-R145 WeakPolarHBondContact O-CG 3.43Å; T141-R145 PolarHBondContact O-N 2.9Å
142	L	98.6	Very high	98.1	Very high	6 Å²	6	60.3 Å²	60.3	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-57.3	-51.2	176.9	176.6	60.5	0	0	0	111.6	I98 I102 Y113 F115 Y138 Y139 K144 R145 L146	I98-L142 HydrophobicContact CG2-CD1 4.15Å; I102-L142 HydrophobicContact CD1-CD1 4.1Å; Y113-L142 HydrophobicContact CE1-CD2 4.46Å; F115-L142 HydrophobicContact CD1-CD2 4.28Å; F115-L142 HydrophobicContact CD2-CD2 3.84Å; F115-L142 HydrophobicContact CE1-CD2 4.29Å; F115-L142 HydrophobicContact CE2-CD2 3.86Å; F115-L142 HydrophobicContact CG-CD2 4.06Å; F115-L142 HydrophobicContact CZ-CD2 4.08Å; Y138-L142 PolarHBondContact O-N 3.08Å; Y139-L142 PolarHBondContact O-N 3.01Å; L142-K144 VanDerWaalsContact C-N 3.32Å; L142-K144 PolarHBondContact O-N 3.06Å; L142-R145 PolarHBondContact O-N 2.85Å; L142-R145 VanDerWaalsContact O-N 3.14Å; L142-L146 HydrophobicContact CD1-CD1 4.4Å; L142-L146 HydrophobicContact CD1-CG 4.38Å; L142-L146 HydrophobicContact CG-CD1 4.23Å; L142-L146 WeakPolarHBondContact O-CG 3.48Å; L142-L146 PolarHBondContact O-N 3.01Å
143	I	98.8	Very high	98.1	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-59.9	-43.3	179.1	-69	168	0	0	0	111.1	F115 Y139 T141 R145 L146 K147 P153 F193 D196 V197	F115-I143 HydrophobicContact CE1-CG1 4.36Å; F115-I143 HydrophobicContact CZ-CD1 4.14Å; F115-I143 HydrophobicContact CZ-CG1 3.73Å; Y139-I143 WeakPolarHBondContact O-CB 3.5Å; Y139-I143 WeakPolarHBondContact O-CG1 3.47Å; Y139-I143 PolarHBondContact O-N 3.49Å; T141-I143 PolarHBondContact O-N 3.33Å; I143-R145 PolarHBondContact O-N 3.41Å; I143-L146 PolarHBondContact O-N 3.25Å; I143-K147 HydrophobicContact CG2-CD 4.43Å; I143-K147 PolarHBondContact O-N 3.04Å; I143-P153 HydrophobicContact CG2-CG 4.37Å; I143-F193 HydrophobicContact CD1-CB 3.88Å; I143-F193 HydrophobicContact CD1-CD1 3.67Å; I143-F193 HydrophobicContact CD1-CE1 4.44Å; I143-F193 HydrophobicContact CD1-CG 3.94Å; I143-D196 HydrophobicContact CG2-CB 3.62Å; I143-V197 HydrophobicContact CD1-CG2 4.05Å
144	K	98.4	Very high	98.2	Very high	129 Å²	129	53.7 Å²	53.7	56%	0.561	24%	0.239	S	C	*	.	H	α-helix	trans	-58.9	-46.4	175	-176.3	-176.1	175.1	-179.1	0	111.6	R140 T141 L142 L146 K147 E148	R140-K144 VanDerWaalsContact O-CB 3.29Å; R140-K144 WeakPolarHBondContact O-CB 3.37Å; R140-K144 PolarHBondContact O-N 2.93Å; T141-K144 PolarHBondContact O-N 2.89Å; L142-K144 VanDerWaalsContact C-N 3.32Å; L142-K144 PolarHBondContact O-N 3.06Å; K144-L146 PolarHBondContact O-N 3.46Å; K144-K147 WeakPolarHBondContact O-CB 3.31Å; K144-K147 PolarHBondContact O-N 3.3Å; K144-E148 WeakPolarHBondContact CE-OE1 3.44Å; K144-E148 WeakPolarHBondContact O-CG 3.4Å; K144-E148 PolarHBondContact O-N 3.43Å
145	R	98.4	Very high	98.2	Very high	87 Å²	87	49 Å²	49	33%	0.328	22%	0.215	S	C	.	.	H	α-helix	trans	-64.7	-37.5	178.3	-67.2	-53.6	-169.8	176.4	0.5	112.7	I98 I102 T141 L142 I143 E148 I149	I98-R145 HydrophobicContact CG2-CG 4.39Å; I102-R145 HydrophobicContact CD1-CB 3.72Å; I102-R145 HydrophobicContact CG1-CB 3.83Å; T141-R145 HydrophobicContact CG2-CG 4.47Å; T141-R145 WeakPolarHBondContact O-CG 3.43Å; T141-R145 PolarHBondContact O-N 2.9Å; L142-R145 PolarHBondContact O-N 2.85Å; L142-R145 VanDerWaalsContact O-N 3.14Å; I143-R145 PolarHBondContact O-N 3.41Å; R145-E148 WeakPolarHBondContact CD-OE2 3.44Å; R145-E148 IonicContact CZ-OE2 2.7Å; R145-E148 IonicContact NE-OE2 3.73Å; R145-E148 IonicContact NH1-OE1 2.63Å; R145-E148 IonicContact NH1-OE2 3.8Å; R145-E148 PolarHBondContact NH1-OE2 2.95Å; R145-E148 WeakPolarHBondContact O-CB 3.46Å; R145-E148 PolarHBondContact O-N 2.55Å; R145-I149 PolarHBondContact O-N 3.41Å
146	L	98.6	Very high	98.4	Very high	0 Å²	0	49 Å²	49	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.6	-44.2	174.1	-67.5	168.2	0	0	0	111.2	I102 I105 Y113 F115 L142 I143 K144 E148 I149 R150 V151 P153	I102-L146 HydrophobicContact CD1-CD2 3.65Å; I102-L146 HydrophobicContact CD1-CG 3.99Å; I105-L146 HydrophobicContact CD1-CD2 3.9Å; I105-L146 HydrophobicContact CG2-CD2 4.45Å; Y113-L146 HydrophobicContact CD1-CD1 3.77Å; Y113-L146 HydrophobicContact CD1-CD2 3.79Å; Y113-L146 HydrophobicContact CD1-CG 4.4Å; Y113-L146 HydrophobicContact CG-CD2 4.19Å; F115-L146 HydrophobicContact CD1-CD1 4.39Å; F115-L146 HydrophobicContact CE1-CD1 3.91Å; L142-L146 HydrophobicContact CD1-CD1 4.4Å; L142-L146 HydrophobicContact CD1-CG 4.38Å; L142-L146 HydrophobicContact CG-CD1 4.23Å; L142-L146 WeakPolarHBondContact O-CG 3.48Å; L142-L146 PolarHBondContact O-N 3.01Å; I143-L146 PolarHBondContact O-N 3.25Å; K144-L146 PolarHBondContact O-N 3.46Å; L146-E148 VanDerWaalsContact C-N 3.35Å; L146-E148 PolarHBondContact O-N 3.13Å; L146-I149 CarbonylContact O-C 3.6Å; L146-I149 WeakPolarHBondContact O-CG1 3.33Å; L146-I149 PolarHBondContact O-N 3.35Å; L146-I149 VanDerWaalsContact O-N 3.15Å; L146-R150 PolarHBondContact O-N 3.36Å; L146-R150 VanDerWaalsContact O-N 3.1Å; L146-V151 CarbonylContact C-O 3.48Å; L146-V151 HydrophobicContact CB-CB 4.41Å; L146-V151 HydrophobicContact CD2-CB 4.22Å; L146-V151 HydrophobicContact CD2-CG1 4.02Å; L146-V151 PolarHBondContact O-N 3.45Å; L146-P153 HydrophobicContact CD1-CB 4.19Å
147	K	97.1	Very high	98.4	Very high	102 Å²	102	49 Å²	49	44%	0.443	22%	0.215	S	C	.	.	H	α-helix	trans	-60.8	-41.4	174.7	-74.2	175	52.9	-179.8	0	112.7	I143 K144 I149 R150 D196	I143-K147 HydrophobicContact CG2-CD 4.43Å; I143-K147 PolarHBondContact O-N 3.04Å; K144-K147 WeakPolarHBondContact O-CB 3.31Å; K144-K147 PolarHBondContact O-N 3.3Å; K147-I149 PolarHBondContact O-N 3.07Å; K147-R150 PolarHBondContact O-N 2.84Å; K147-D196 HydrophobicContact CD-CB 3.83Å; K147-D196 VanDerWaalsContact CD-OD2 3.29Å; K147-D196 WeakPolarHBondContact CD-OD2 3.18Å; K147-D196 WeakPolarHBondContact CE-OD1 3.41Å; K147-D196 IonicContact NZ-OD1 2.83Å; K147-D196 PolarHBondContact NZ-OD1 2.86Å; K147-D196 IonicContact NZ-OD2 3.46Å; K147-D196 PolarHBondContact NZ-OD2 2.92Å
148	E	97.8	Very high	98.5	Very high	96 Å²	96	45.1 Å²	45.1	45%	0.449	19%	0.194	S	C	.	.	H	α-helix	trans	-58.2	-31.8	176.4	-72.3	169.3	-169.9	0	0	112.3	K144 R145 L146	K144-E148 WeakPolarHBondContact CE-OE1 3.44Å; K144-E148 WeakPolarHBondContact O-CG 3.4Å; K144-E148 PolarHBondContact O-N 3.43Å; R145-E148 WeakPolarHBondContact CD-OE2 3.44Å; R145-E148 IonicContact CZ-OE2 2.7Å; R145-E148 IonicContact NE-OE2 3.73Å; R145-E148 IonicContact NH1-OE1 2.63Å; R145-E148 IonicContact NH1-OE2 3.8Å; R145-E148 PolarHBondContact NH1-OE2 2.95Å; R145-E148 WeakPolarHBondContact O-CB 3.46Å; R145-E148 PolarHBondContact O-N 2.55Å; L146-E148 VanDerWaalsContact C-N 3.35Å; L146-E148 PolarHBondContact O-N 3.13Å
149	I	98	Very high	98.5	Very high	26 Å²	26	44.3 Å²	44.3	13%	0.133	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	10.2	175.4	66.7	161.5	0	0	0	113.9	I102 I105 R106 R145 L146 K147 V151	I102-I149 HydrophobicContact CG2-CD1 4.16Å; I102-I149 HydrophobicContact CG2-CG2 4.19Å; I105-I149 HydrophobicContact CB-CD1 4.4Å; I105-I149 HydrophobicContact CG2-CD1 3.84Å; R106-I149 HydrophobicContact CB-CD1 4.25Å; R145-I149 PolarHBondContact O-N 3.41Å; L146-I149 CarbonylContact O-C 3.6Å; L146-I149 WeakPolarHBondContact O-CG1 3.33Å; L146-I149 PolarHBondContact O-N 3.35Å; L146-I149 VanDerWaalsContact O-N 3.15Å; K147-I149 PolarHBondContact O-N 3.07Å; I149-V151 VanDerWaalsContact C-N 3.3Å; I149-V151 HydrophobicContact CD1-CB 4.24Å; I149-V151 HydrophobicContact CD1-CG2 3.63Å; I149-V151 HydrophobicContact CG1-CB 4.12Å; I149-V151 HydrophobicContact CG1-CG2 3.76Å; I149-V151 PolarHBondContact O-N 2.96Å
150	R	97.9	Very high	98.4	Very high	228 Å²	228	44.8 Å²	44.8	86%	0.86	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	33	-179.8	-53.6	-179.7	-176.5	166.3	-0	114.5	L146 K147	L146-R150 PolarHBondContact O-N 3.36Å; L146-R150 VanDerWaalsContact O-N 3.1Å; K147-R150 PolarHBondContact O-N 2.84Å
151	V	98.6	Very high	98.3	Very high	8 Å²	8	40.3 Å²	40.3	5%	0.048	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-100.4	128.2	174	175.4	0	0	0	0	109.1	I105 T111 L146 I149	I105-V151 HydrophobicContact CG2-CB 4.49Å; I105-V151 HydrophobicContact CG2-CG1 4.15Å; I105-V151 HydrophobicContact CG2-CG2 3.93Å; T111-V151 WeakPolarHBondContact O-CA 3.46Å; L146-V151 CarbonylContact C-O 3.48Å; L146-V151 HydrophobicContact CB-CB 4.41Å; L146-V151 HydrophobicContact CD2-CB 4.22Å; L146-V151 HydrophobicContact CD2-CG1 4.02Å; L146-V151 PolarHBondContact O-N 3.45Å; I149-V151 VanDerWaalsContact C-N 3.3Å; I149-V151 HydrophobicContact CD1-CB 4.24Å; I149-V151 HydrophobicContact CD1-CG2 3.63Å; I149-V151 HydrophobicContact CG1-CB 4.12Å; I149-V151 HydrophobicContact CG1-CG2 3.76Å; I149-V151 PolarHBondContact O-N 2.96Å
152	Q	98.5	Very high	98.3	Very high	93 Å²	93	38 Å²	38	44%	0.435	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	131.2	179.3	-65	-167	19.1	0	0	111.1	T111 H112 Y113	T111-Q152 PolarHBondContact O-N 3.48Å; H112-Q152 CarbonylContact C-O 3.56Å; H112-Q152 VanDerWaalsContact CA-O 3.23Å; H112-Q152 WeakPolarHBondContact CA-O 3.23Å; H112-Q152 PolarHBondContact NE2-OE1 2.92Å; Y113-Q152 PolarHBondContact N-O 3.13Å
153	P	98.7	Very high	98.3	Very high	4 Å²	4	37.8 Å²	37.8	3%	0.026	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	134.9	176.9	31.1	-34.6	0	0	0	111.5	F115 I143 L146 V155 D196 V197	F115-P153 HydrophobicContact CE1-CB 3.92Å; I143-P153 HydrophobicContact CG2-CG 4.37Å; L146-P153 HydrophobicContact CD1-CB 4.19Å; P153-V155 HydrophobicContact CB-CG2 4.19Å; P153-D196 WeakPolarHBondContact CG-O 3.48Å; P153-V197 HydrophobicContact CB-CG2 4.3Å; P153-V197 HydrophobicContact CG-CB 4.38Å; P153-V197 HydrophobicContact CG-CG2 3.84Å
154	V	98.8	Very high	98.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	101	167.2	-178.3	0	0	0	0	107.2	H112 Y113 R114 F115 Y199 I201 F377	H112-V154 HydrophobicContact CB-CG2 4.05Å; Y113-V154 PolarHBondContact O-N 3.4Å; R114-V154 VanDerWaalsContact CA-O 3.25Å; R114-V154 WeakPolarHBondContact CA-O 2.98Å; R114-V154 HydrophobicContact CB-CB 4.02Å; R114-V154 HydrophobicContact CB-CG1 4.33Å; R114-V154 HydrophobicContact CG-CB 4.19Å; R114-V154 HydrophobicContact CG-CG1 4.03Å; F115-V154 PolarHBondContact N-O 3.41Å; F115-V154 VanDerWaalsContact N-O 3.14Å; V154-Y199 CarbonylContact C-O 3.43Å; V154-Y199 WeakPolarHBondContact CA-O 3.35Å; V154-I201 HydrophobicContact CG1-CG1 4.36Å; V154-F377 HydrophobicContact CG1-CE1 4.34Å; V154-F377 HydrophobicContact CG2-CE1 4.1Å; V154-F377 HydrophobicContact CG2-CZ 4.4Å
155	V	98.9	Very high	98.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	128.6	-169	-178.9	0	0	0	0	110.9	F115 L117 P153 V197 Y199 W200 I201	F115-V155 HydrophobicContact CE1-CG2 3.89Å; F115-V155 HydrophobicContact CE2-CG2 4.32Å; F115-V155 HydrophobicContact CZ-CG2 3.66Å; L117-V155 HydrophobicContact CD1-CG1 3.84Å; L117-V155 HydrophobicContact CD2-CG1 4.07Å; L117-V155 HydrophobicContact CG-CG1 3.64Å; P153-V155 HydrophobicContact CB-CG2 4.19Å; V155-V197 HydrophobicContact CB-CG1 3.96Å; V155-V197 HydrophobicContact CG2-CB 4.31Å; V155-V197 HydrophobicContact CG2-CG1 3.67Å; V155-V197 HydrophobicContact CG2-CG2 3.59Å; V155-Y199 PolarHBondContact N-O 2.89Å; V155-W200 HydrophobicContact CB-CE3 3.76Å; V155-W200 HydrophobicContact CB-CH2 4.37Å; V155-W200 HydrophobicContact CB-CZ3 3.64Å; V155-W200 HydrophobicContact CG1-CE3 3.96Å; V155-W200 HydrophobicContact CG1-CH2 4.32Å; V155-W200 HydrophobicContact CG1-CZ3 3.48Å; V155-W200 VanDerWaalsContact CG1-CZ3 3.48Å; V155-W200 HydrophobicContact CG2-CZ3 4.47Å; V155-W200 CarbonylContact O-C 3.55Å; V155-W200 WeakPolarHBondContact O-CA 3.32Å; V155-I201 PolarHBondContact O-N 3.01Å
156	T	98.9	Very high	98.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	121.9	172.2	-54.6	0	0	0	0	109.7	R114 F115 S116 L117 H159 I201 D204	R114-T156 PolarHBondContact NE-OG1 3.38Å; R114-T156 PolarHBondContact NH2-OG1 2.94Å; R114-T156 VanDerWaalsContact NH2-OG1 3.12Å; F115-T156 PolarHBondContact O-N 3.44Å; S116-T156 CarbonylContact C-O 3.48Å; S116-T156 WeakPolarHBondContact CA-O 3.41Å; S116-T156 WeakPolarHBondContact CB-O 3.42Å; L117-T156 PolarHBondContact N-O 3.27Å; T156-H159 HydrophobicContact CG2-CB 4.27Å; T156-I201 CarbonylContact C-O 3.56Å; T156-I201 VanDerWaalsContact CA-O 3.23Å; T156-I201 WeakPolarHBondContact CA-O 3.38Å; T156-I201 HydrophobicContact CG2-CB 4.24Å; T156-I201 HydrophobicContact CG2-CG2 4.06Å; T156-D204 HydrophobicContact CG2-CB 4.06Å
157	L	98.9	Very high	98.2	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-41.2	-176.4	-63	178	0	0	0	112.5	L117 F182 Y185 S186 C189 F190 W200 I201 T202	L117-L157 HydrophobicContact CD1-CD2 4.1Å; L157-F182 HydrophobicContact CB-CE2 4.32Å; L157-F182 HydrophobicContact CB-CZ 4.05Å; L157-F182 HydrophobicContact CD1-CZ 4.29Å; L157-Y185 HydrophobicContact CB-CE1 4.17Å; L157-Y185 WeakPolarHBondContact O-CE1 3.36Å; L157-Y185 PolarHBondContact O-OH 2.9Å; L157-S186 WeakPolarHBondContact CD1-OG 3.4Å; L157-C189 HydrophobicContact CD2-CB 3.55Å; L157-F190 HydrophobicContact CD1-CE1 3.92Å; L157-F190 HydrophobicContact CD1-CZ 3.87Å; L157-W200 HydrophobicContact CD2-CE3 3.77Å; L157-W200 HydrophobicContact CD2-CZ3 3.45Å; L157-W200 VanDerWaalsContact CD2-CZ3 3.45Å; L157-W200 HydrophobicContact CG-CE3 4.19Å; L157-W200 HydrophobicContact CG-CZ3 4.35Å; L157-I201 PolarHBondContact N-O 3.24Å; L157-T202 WeakPolarHBondContact CB-O 3.43Å; L157-T202 HydrophobicContact CD1-CG2 4.29Å
158	Y	98.8	Very high	98.2	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	118.2	-178.4	179.1	-107.8	0	0	0	111.2	W119 L162 W173 T202 I203 D204 V209	W119-Y158 HydrophobicContact CE3-CD2 4.13Å; Y158-L162 HydrophobicContact CE2-CB 3.93Å; Y158-L162 HydrophobicContact CE2-CD1 4.44Å; Y158-W173 HydrophobicContact CD1-CZ2 4.13Å; Y158-W173 HydrophobicContact CD2-CZ2 4.37Å; Y158-W173 HydrophobicContact CE1-CZ2 4.05Å; Y158-W173 AromaticContact CE1-NE1 3.53Å; Y158-W173 HydrophobicContact CE2-CZ2 4.29Å; Y158-W173 AromaticContact CE2-NE1 3.92Å; Y158-W173 HydrophobicContact CG-CZ2 4.29Å; Y158-W173 AromaticContact CZ-CE2 3.98Å; Y158-W173 AromaticContact CZ-NE1 3.21Å; Y158-W173 PolarHBondContact OH-NE1 3.01Å; Y158-T202 WeakPolarHBondContact CB-O 3.18Å; Y158-T202 PolarHBondContact N-O 3Å; Y158-I203 HydrophobicContact CD1-CB 4.5Å; Y158-I203 HydrophobicContact CD1-CG1 4.17Å; Y158-I203 HydrophobicContact CD1-CG2 4.08Å; Y158-D204 PolarHBondContact O-N 2.87Å; Y158-V209 HydrophobicContact CE1-CG1 4.3Å; Y158-V209 HydrophobicContact CE1-CG2 4.12Å
159	H	98.4	Very high	98.1	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.009	16%	0.159	C	C	.	.	S	Bend	trans	-128.9	62.4	177.4	-157.5	138.9	0	0	0	109.8	A57 S116 T156 D161 D204 W424 W432	A57-H159 HydrophobicContact CB-CB 4.49Å; A57-H159 VanDerWaalsContact CB-CE1 3.48Å; A57-H159 WeakPolarHBondContact CB-CE1 3.46Å; A57-H159 WeakPolarHBondContact CB-ND1 3.4Å; S116-H159 VanDerWaalsContact CB-CB 3.49Å; S116-H159 WeakPolarHBondContact OG-CB 3.24Å; T156-H159 HydrophobicContact CG2-CB 4.27Å; H159-D161 PolarHBondContact N-OD1 2.93Å; H159-D161 PolarHBondContact O-N 3.09Å; H159-D204 HydrophobicContact CB-CB 4.39Å; H159-D204 VanDerWaalsContact CE1-CG 3.46Å; H159-D204 IonicContact CE1-OD2 3.56Å; H159-D204 PolarHBondContact CE1-OD2 3.08Å; H159-D204 VanDerWaalsContact CE1-OD2 3.31Å; H159-D204 IonicContact ND1-OD2 3.41Å; H159-D204 IonicContact NE2-OD2 3.9Å; H159-W424 AromaticContact CE1-CH2 3.71Å; H159-W424 AromaticContact CE1-CZ2 3.93Å; H159-W432 AromaticContact CD2-CZ2 3.82Å; H159-W432 AromaticContact NE2-CZ2 3.9Å
160	W	97.7	Very high	98.1	Very high	11 Å²	11	35.3 Å²	35.3	4%	0.042	16%	0.164	C	C	.	.	S	Bend	trans	71.5	2.6	171.9	-45.5	-13.5	0	0	0	115.5	W75 L162 D204 N205 V208 V209 T340 W432	W75-W160 HydrophobicContact CZ2-CE3 4.32Å; W75-W160 PolarHBondContact NE1-O 3.34Å; W160-L162 PolarHBondContact O-N 3.07Å; W160-D204 PolarHBondContact NE1-O 2.94Å; W160-N205 HydrophobicContact CZ2-CB 3.92Å; W160-V208 HydrophobicContact CH2-CB 4.36Å; W160-V208 HydrophobicContact CH2-CG1 3.85Å; W160-V208 HydrophobicContact CZ2-CB 3.98Å; W160-V208 HydrophobicContact CZ2-CG1 3.89Å; W160-V208 HydrophobicContact CZ2-CG2 4.39Å; W160-V208 HydrophobicContact CZ3-CG1 4.24Å; W160-V209 HydrophobicContact CG-CG2 4.06Å; W160-T340 HydrophobicContact CH2-CG2 3.79Å; W160-T340 HydrophobicContact CZ2-CG2 4.27Å; W160-W432 HydrophobicContact CB-CH2 4.39Å; W160-W432 HydrophobicContact CB-CZ3 4.47Å; W160-W432 HydrophobicContact CD2-CH2 4.39Å; W160-W432 HydrophobicContact CD2-CZ2 4.32Å; W160-W432 AromaticContact CE3-CD2 3.59Å; W160-W432 HydrophobicContact CE3-CD2 3.59Å; W160-W432 AromaticContact CE3-CE2 3.51Å; W160-W432 AromaticContact CE3-CE3 3.82Å; W160-W432 HydrophobicContact CE3-CE3 3.82Å; W160-W432 HydrophobicContact CE3-CG 4.2Å; W160-W432 AromaticContact CE3-CH2 3.82Å; W160-W432 HydrophobicContact CE3-CH2 3.82Å; W160-W432 AromaticContact CE3-CZ2 3.63Å; W160-W432 HydrophobicContact CE3-CZ2 3.63Å; W160-W432 AromaticContact CE3-CZ3 3.93Å; W160-W432 HydrophobicContact CE3-CZ3 3.93Å; W160-W432 AromaticContact CZ3-CD1 3.68Å; W160-W432 AromaticContact CZ3-CD2 3.56Å; W160-W432 HydrophobicContact CZ3-CD2 3.56Å; W160-W432 AromaticContact CZ3-CE2 3.4Å; W160-W432 VanDerWaalsContact CZ3-CE2 3.4Å; W160-W432 HydrophobicContact CZ3-CE3 4.25Å; W160-W432 AromaticContact CZ3-CG 3.69Å; W160-W432 HydrophobicContact CZ3-CG 3.69Å; W160-W432 AromaticContact CZ3-CZ2 3.94Å; W160-W432 HydrophobicContact CZ3-CZ2 3.94Å; W160-W432 AromaticContact CZ3-NE1 3.49Å
161	D	96.8	Very high	98	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	13%	0.134	C	C	.	.			trans	-100.6	55.9	-171.9	52.6	-9.8	0	0	0	112.5	S118 H159	S118-D161 WeakPolarHBondContact CA-OD2 3.47Å; H159-D161 PolarHBondContact N-OD1 2.93Å; H159-D161 PolarHBondContact O-N 3.09Å
162	L	98.6	Very high	97.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.132	C	C	.	.			trans	-61.7	135.6	179.5	-176.6	70.4	0	0	0	110.1	S73 I74 W119 Y158 W160 E164 L166 Q167 M178	S73-L162 CarbonylContact C-O 3.42Å; S73-L162 WeakPolarHBondContact CA-O 3.34Å; I74-L162 HydrophobicContact CD1-CB 3.86Å; I74-L162 HydrophobicContact CG1-CB 3.99Å; I74-L162 HydrophobicContact CG2-CB 4.03Å; I74-L162 HydrophobicContact CG2-CD2 4.26Å; I74-L162 HydrophobicContact CG2-CG 4.41Å; I74-L162 PolarHBondContact N-O 3.05Å; W119-L162 HydrophobicContact CE3-CD1 4.02Å; W119-L162 HydrophobicContact CH2-CD1 4.45Å; W119-L162 HydrophobicContact CZ3-CD1 3.68Å; Y158-L162 HydrophobicContact CE2-CB 3.93Å; Y158-L162 HydrophobicContact CE2-CD1 4.44Å; W160-L162 PolarHBondContact O-N 3.07Å; L162-E164 PolarHBondContact O-N 3.26Å; L162-L166 HydrophobicContact CD1-CD1 4.34Å; L162-Q167 HydrophobicContact CD2-CB 4.26Å; L162-M178 HydrophobicContact CD1-CE 3.63Å
163	P	98.6	Very high	97.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-57	127	171.5	-24.6	34.8	0	0	0	111.3	W119 H165 L166 Q167	W119-P163 HydrophobicContact CB-CG 4.04Å; W119-P163 HydrophobicContact CD2-CG 3.82Å; W119-P163 HydrophobicContact CE3-CG 4.39Å; W119-P163 HydrophobicContact CG-CG 3.62Å; P163-H165 PolarHBondContact O-N 2.93Å; P163-L166 HydrophobicContact CB-CD1 4.48Å; P163-L166 HydrophobicContact CB-CG 4.4Å; P163-L166 HydrophobicContact CG-CD1 4.34Å; P163-L166 PolarHBondContact O-N 3.42Å; P163-Q167 PolarHBondContact O-N 3.34Å
164	E	97.6	Very high	97.8	Very high	26 Å²	26	22.4 Å²	22.4	12%	0.121	12%	0.123	C	C	.	.	H	α-helix	trans	-57.2	-37.5	-176.2	175.3	62.8	-169.4	0	0	111.5	L72 I74 T77 L162 L166 Q167 Q168	L72-E164 HydrophobicContact CB-CB 3.96Å; L72-E164 WeakPolarHBondContact O-CB 3.32Å; L72-E164 PolarHBondContact O-N 3Å; I74-E164 WeakPolarHBondContact CA-OE2 3.28Å; T77-E164 HydrophobicContact CG2-CB 4.49Å; T77-E164 HydrophobicContact CG2-CG 3.68Å; T77-E164 VanDerWaalsContact OG1-CD 3.24Å; T77-E164 PolarHBondContact OG1-OE2 3.47Å; L162-E164 PolarHBondContact O-N 3.26Å; E164-L166 VanDerWaalsContact C-N 3.28Å; E164-L166 PolarHBondContact O-N 2.82Å; E164-Q167 WeakPolarHBondContact O-CA 3.45Å; E164-Q167 WeakPolarHBondContact O-CB 2.96Å; E164-Q167 PolarHBondContact O-N 2.85Å; E164-Q168 HydrophobicContact CG-CG 4.16Å; E164-Q168 WeakPolarHBondContact O-CG 3.36Å; E164-Q168 PolarHBondContact O-N 2.97Å; E164-Q168 WeakPolarHBondContact OE1-CG 3.32Å; E164-Q168 PolarHBondContact OE1-NE2 2.92Å
165	H	97.7	Very high	97.7	Very high	89 Å²	89	24.1 Å²	24.1	41%	0.412	13%	0.132	S	C	.	.	H	α-helix	trans	-54.1	-43.6	177.4	178.4	-95.8	0	0	0	112.3	N125 P163 Q167 Q168 S169	N125-H165 HydrophobicContact CB-CB 4.27Å; N125-H165 PolarHBondContact O-ND1 2.78Å; P163-H165 PolarHBondContact O-N 2.93Å; H165-Q167 VanDerWaalsContact C-N 3.33Å; H165-Q167 PolarHBondContact O-N 2.71Å; H165-Q168 PolarHBondContact O-N 3.39Å; H165-S169 WeakPolarHBondContact O-CB 3.32Å; H165-S169 PolarHBondContact O-N 2.8Å; H165-S169 PolarHBondContact O-OG 3.28Å
166	L	98.3	Very high	97.6	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.016	16%	0.157	C	C	.	.	H	α-helix	trans	-68.8	-32.7	178.1	-63.2	-178.9	0	0	0	112.2	W119 T127 L162 P163 E164 L170 G171 G172 M178 I181	W119-L166 HydrophobicContact CH2-CD1 4Å; W119-L166 HydrophobicContact CZ2-CD1 3.9Å; T127-L166 HydrophobicContact CG2-CD2 4.45Å; L162-L166 HydrophobicContact CD1-CD1 4.34Å; P163-L166 HydrophobicContact CB-CD1 4.48Å; P163-L166 HydrophobicContact CB-CG 4.4Å; P163-L166 HydrophobicContact CG-CD1 4.34Å; P163-L166 PolarHBondContact O-N 3.42Å; E164-L166 VanDerWaalsContact C-N 3.28Å; E164-L166 PolarHBondContact O-N 2.82Å; L166-L170 HydrophobicContact CD2-CD1 4.36Å; L166-L170 WeakPolarHBondContact O-CB 3.48Å; L166-L170 PolarHBondContact O-N 3.44Å; L166-L170 VanDerWaalsContact O-N 3.11Å; L166-G171 PolarHBondContact O-N 3.03Å; L166-G172 PolarHBondContact O-N 3.15Å; L166-G172 VanDerWaalsContact O-N 3.14Å; L166-M178 HydrophobicContact CB-SD 4.19Å; L166-M178 HydrophobicContact CD1-CE 3.83Å; L166-M178 HydrophobicContact CD1-SD 4.15Å; L166-I181 HydrophobicContact CD1-CG2 3.86Å; L166-I181 HydrophobicContact CD2-CD1 4.34Å; L166-I181 HydrophobicContact CD2-CG2 4.43Å
167	Q	97.8	Very high	97.6	Very high	24 Å²	24	33.5 Å²	33.5	11%	0.112	18%	0.183	C	C	.	.	H	α-helix	trans	-67.2	-40.8	174.2	-175.7	56.6	62.5	0	0	111.4	I74 L162 P163 E164 H165 G171 Y214 P221	I74-Q167 HydrophobicContact CG2-CB 3.56Å; I74-Q167 HydrophobicContact CG2-CG 3.86Å; L162-Q167 HydrophobicContact CD2-CB 4.26Å; P163-Q167 PolarHBondContact O-N 3.34Å; E164-Q167 WeakPolarHBondContact O-CA 3.45Å; E164-Q167 WeakPolarHBondContact O-CB 2.96Å; E164-Q167 PolarHBondContact O-N 2.85Å; H165-Q167 VanDerWaalsContact C-N 3.33Å; H165-Q167 PolarHBondContact O-N 2.71Å; Q167-G171 PolarHBondContact NE2-O 3.32Å; Q167-G171 WeakPolarHBondContact O-CA 3.38Å; Q167-G171 PolarHBondContact O-N 3.37Å; Q167-G171 VanDerWaalsContact O-N 3.07Å; Q167-Y214 PolarHBondContact OE1-OH 3.39Å; Q167-P221 HydrophobicContact CG-CB 4.22Å
168	Q	97	Very high	97.5	Very high	138 Å²	138	33.5 Å²	33.5	65%	0.645	18%	0.183	S	C	*	.	H	α-helix	trans	-75.1	-43.5	-179.4	-68.2	-178.7	-7.1	0	0	112.9	E164 H165	E164-Q168 HydrophobicContact CG-CG 4.16Å; E164-Q168 WeakPolarHBondContact O-CG 3.36Å; E164-Q168 PolarHBondContact O-N 2.97Å; E164-Q168 WeakPolarHBondContact OE1-CG 3.32Å; E164-Q168 PolarHBondContact OE1-NE2 2.92Å; H165-Q168 PolarHBondContact O-N 3.39Å
169	S	96.6	Very high	97.5	Very high	67 Å²	67	34.1 Å²	34.1	47%	0.469	19%	0.187	S	C	.	.	H	α-helix	trans	-82.3	-34.7	-173.9	69.1	0	0	0	0	113.1	H165	H165-S169 WeakPolarHBondContact O-CB 3.32Å; H165-S169 PolarHBondContact O-N 2.8Å; H165-S169 PolarHBondContact O-OG 3.28Å
170	L	96.6	Very high	97.5	Very high	45 Å²	45	38.6 Å²	38.6	24%	0.236	21%	0.208	C	C	.	.	H	α-helix	trans	-119.1	-7.6	-173.1	-63.5	177.3	0	0	0	113.8	L166 G172 N175 I181	L166-L170 HydrophobicContact CD2-CD1 4.36Å; L166-L170 WeakPolarHBondContact O-CB 3.48Å; L166-L170 PolarHBondContact O-N 3.44Å; L166-L170 VanDerWaalsContact O-N 3.11Å; L170-G172 VanDerWaalsContact C-N 3.32Å; L170-N175 HydrophobicContact CB-CB 4.39Å; L170-N175 WeakPolarHBondContact O-CB 3.09Å; L170-N175 PolarHBondContact O-ND2 3.45Å; L170-N175 VanDerWaalsContact O-ND2 3.14Å; L170-I181 HydrophobicContact CD1-CD1 3.49Å; L170-I181 VanDerWaalsContact CD1-CD1 3.49Å
171	G	95.7	Very high	97.6	Very high	22 Å²	22	39.5 Å²	39.5	23%	0.227	21%	0.213	C	C	.	.			trans	80.8	11.8	-172.3	0	0	0	0	0	113.9	L166 Q167 S174	L166-G171 PolarHBondContact O-N 3.03Å; Q167-G171 PolarHBondContact NE2-O 3.32Å; Q167-G171 WeakPolarHBondContact O-CA 3.38Å; Q167-G171 PolarHBondContact O-N 3.37Å; Q167-G171 VanDerWaalsContact O-N 3.07Å; G171-S174 PolarHBondContact O-OG 2.69Å
172	G	97.1	Very high	97.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	61.8	-141.1	179	0	0	0	0	0	112.3	L166 L170 S174 N175 M178	L166-G172 PolarHBondContact O-N 3.15Å; L166-G172 VanDerWaalsContact O-N 3.14Å; L170-G172 VanDerWaalsContact C-N 3.32Å; G172-S174 PolarHBondContact O-N 2.8Å; G172-N175 PolarHBondContact O-N 2.9Å; G172-M178 WeakPolarHBondContact O-CG 3.49Å
173	W	98.2	Very high	97.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-63.1	-9	-173.6	-68.7	114.6	0	0	0	115.5	W119 Y158 N175 M178 F182 Y214 V233 N236 L237 A240	W119-W173 HydrophobicContact CZ3-CH2 4.48Å; W119-W173 HydrophobicContact CZ3-CZ2 4.2Å; Y158-W173 HydrophobicContact CD1-CZ2 4.13Å; Y158-W173 HydrophobicContact CD2-CZ2 4.37Å; Y158-W173 HydrophobicContact CE1-CZ2 4.05Å; Y158-W173 AromaticContact CE1-NE1 3.53Å; Y158-W173 HydrophobicContact CE2-CZ2 4.29Å; Y158-W173 AromaticContact CE2-NE1 3.92Å; Y158-W173 HydrophobicContact CG-CZ2 4.29Å; Y158-W173 AromaticContact CZ-CE2 3.98Å; Y158-W173 AromaticContact CZ-NE1 3.21Å; Y158-W173 PolarHBondContact OH-NE1 3.01Å; W173-N175 PolarHBondContact O-N 2.83Å; W173-M178 HydrophobicContact CE3-CB 3.8Å; W173-M178 HydrophobicContact CE3-CE 4.48Å; W173-M178 HydrophobicContact CE3-CG 4.42Å; W173-M178 HydrophobicContact CZ3-CB 3.97Å; W173-M178 HydrophobicContact CZ3-CE 4.48Å; W173-F182 HydrophobicContact CH2-CB 3.9Å; W173-F182 HydrophobicContact CH2-CD1 4.46Å; W173-F182 AromaticContact CH2-CD2 3.93Å; W173-F182 HydrophobicContact CH2-CD2 3.93Å; W173-F182 AromaticContact CH2-CG 3.82Å; W173-F182 HydrophobicContact CH2-CG 3.82Å; W173-F182 HydrophobicContact CZ2-CD2 4.45Å; W173-F182 HydrophobicContact CZ3-CB 4.34Å; W173-Y214 HydrophobicContact CB-CE2 4.32Å; W173-Y214 PolarHBondContact N-OH 3.16Å; W173-V233 HydrophobicContact CB-CB 4.49Å; W173-V233 HydrophobicContact CB-CG1 3.73Å; W173-V233 HydrophobicContact CB-CG2 4.35Å; W173-N236 WeakPolarHBondContact O-CB 3.37Å; W173-N236 PolarHBondContact O-ND2 2.61Å; W173-L237 HydrophobicContact CD2-CD2 3.47Å; W173-L237 VanDerWaalsContact CD2-CD2 3.47Å; W173-L237 HydrophobicContact CD2-CG 4.27Å; W173-L237 HydrophobicContact CE3-CD2 3.7Å; W173-L237 HydrophobicContact CE3-CG 4.34Å; W173-L237 HydrophobicContact CG-CD2 3.96Å; W173-L237 HydrophobicContact CG-CG 4.48Å; W173-L237 HydrophobicContact CH2-CD2 4.04Å; W173-L237 HydrophobicContact CZ2-CD2 3.83Å; W173-L237 HydrophobicContact CZ3-CD2 3.98Å; W173-A240 HydrophobicContact CH2-CB 4.21Å; W173-A240 HydrophobicContact CZ3-CB 3.75Å
174	S	96.4	Very high	97.7	Very high	41 Å²	41	46 Å²	46	29%	0.287	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-67	-22.9	171.3	67.5	0	0	0	0	112.9	G171 G172 N236	G171-S174 PolarHBondContact O-OG 2.69Å; G172-S174 PolarHBondContact O-N 2.8Å; S174-N236 PolarHBondContact O-ND2 3.04Å
175	N	97.6	Very high	97.7	Very high	35 Å²	35	44.9 Å²	44.9	19%	0.187	24%	0.24	C	C	.	.	S	Bend	trans	-97.8	128.6	-176.1	-174.5	-27.4	0	0	0	111.5	L170 G172 W173 E177 M178	L170-N175 HydrophobicContact CB-CB 4.39Å; L170-N175 WeakPolarHBondContact O-CB 3.09Å; L170-N175 PolarHBondContact O-ND2 3.45Å; L170-N175 VanDerWaalsContact O-ND2 3.14Å; G172-N175 PolarHBondContact O-N 2.9Å; W173-N175 PolarHBondContact O-N 2.83Å; N175-E177 PolarHBondContact O-N 3.27Å; N175-E177 WeakPolarHBondContact OD1-CB 3.39Å; N175-E177 PolarHBondContact OD1-N 3.07Å; N175-M178 VanDerWaalsContact O-CB 3.3Å; N175-M178 WeakPolarHBondContact O-CB 3.07Å; N175-M178 WeakPolarHBondContact O-CG 3.44Å; N175-M178 PolarHBondContact O-N 3.32Å
176	P	97	Very high	97.8	Very high	80 Å²	80	40.6 Å²	40.6	52%	0.519	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.2	-179.4	26.4	-36.1	0	0	0	114.4	M178 V179	P176-M178 PolarHBondContact O-N 2.87Å; P176-M178 VanDerWaalsContact O-N 3.13Å; P176-V179 WeakPolarHBondContact O-CB 3.45Å; P176-V179 WeakPolarHBondContact O-CG2 3.31Å; P176-V179 PolarHBondContact O-N 3.17Å; P176-V179 VanDerWaalsContact O-N 3.09Å
177	E	97.7	Very high	97.8	Very high	117 Å²	117	42.3 Å²	42.3	55%	0.547	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.2	175.4	-70	-175.5	-175	0	0	112.8	N175 V179 E180 I181	N175-E177 PolarHBondContact O-N 3.27Å; N175-E177 WeakPolarHBondContact OD1-CB 3.39Å; N175-E177 PolarHBondContact OD1-N 3.07Å; E177-V179 PolarHBondContact O-N 3.01Å; E177-V179 VanDerWaalsContact O-N 3.12Å; E177-E180 PolarHBondContact O-N 2.82Å; E177-I181 PolarHBondContact O-N 3.08Å
178	M	98.3	Very high	97.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.3	-24.4	174.8	-71.8	-57.8	-54.1	0	0	113.8	W119 L162 L166 G172 W173 N175 P176 I181 F182	W119-M178 HydrophobicContact CH2-CE 3.73Å; W119-M178 HydrophobicContact CZ3-CE 4.03Å; L162-M178 HydrophobicContact CD1-CE 3.63Å; L166-M178 HydrophobicContact CB-SD 4.19Å; L166-M178 HydrophobicContact CD1-CE 3.83Å; L166-M178 HydrophobicContact CD1-SD 4.15Å; G172-M178 WeakPolarHBondContact O-CG 3.49Å; W173-M178 HydrophobicContact CE3-CB 3.8Å; W173-M178 HydrophobicContact CE3-CE 4.48Å; W173-M178 HydrophobicContact CE3-CG 4.42Å; W173-M178 HydrophobicContact CZ3-CB 3.97Å; W173-M178 HydrophobicContact CZ3-CE 4.48Å; N175-M178 VanDerWaalsContact O-CB 3.3Å; N175-M178 WeakPolarHBondContact O-CB 3.07Å; N175-M178 WeakPolarHBondContact O-CG 3.44Å; N175-M178 PolarHBondContact O-N 3.32Å; P176-M178 PolarHBondContact O-N 2.87Å; P176-M178 VanDerWaalsContact O-N 3.13Å; M178-I181 HydrophobicContact SD-CD1 4.33Å; M178-F182 WeakPolarHBondContact O-CB 3.45Å; M178-F182 PolarHBondContact O-N 2.71Å
179	V	98.4	Very high	97.9	Very high	16 Å²	16	36 Å²	36	10%	0.097	20%	0.2	C	C	.	.	H	α-helix	trans	-61.5	-49.7	177.9	173.6	0	0	0	0	110.9	P176 E177 K183 K239 A240 A243	P176-V179 WeakPolarHBondContact O-CB 3.45Å; P176-V179 WeakPolarHBondContact O-CG2 3.31Å; P176-V179 PolarHBondContact O-N 3.17Å; P176-V179 VanDerWaalsContact O-N 3.09Å; E177-V179 PolarHBondContact O-N 3.01Å; E177-V179 VanDerWaalsContact O-N 3.12Å; V179-K183 WeakPolarHBondContact O-CB 3.28Å; V179-K183 PolarHBondContact O-N 2.69Å; V179-K183 VanDerWaalsContact O-N 3.08Å; V179-K239 HydrophobicContact CG1-CB 4.33Å; V179-K239 HydrophobicContact CG2-CB 3.78Å; V179-A240 HydrophobicContact CG2-CB 4.33Å; V179-A243 HydrophobicContact CG1-CB 3.98Å
180	E	98.3	Very high	98	Very high	95 Å²	95	32.9 Å²	32.9	44%	0.444	18%	0.177	S	C	.	.	H	α-helix	trans	-74.3	-38.2	179.9	-69.2	-60.2	127.9	0	0	111.4	E177 F182 K183 D184	E177-E180 PolarHBondContact O-N 2.82Å; E180-F182 VanDerWaalsContact C-N 3.33Å; E180-F182 PolarHBondContact O-N 2.95Å; E180-K183 WeakPolarHBondContact O-CB 3.33Å; E180-K183 PolarHBondContact O-N 2.84Å; E180-K183 IonicContact OE1-NZ 2.71Å; E180-K183 PolarHBondContact OE1-NZ 3.16Å; E180-K183 WeakPolarHBondContact OE2-CD 3.12Å; E180-K183 IonicContact OE2-NZ 3.26Å; E180-K183 PolarHBondContact OE2-NZ 2.83Å; E180-D184 PolarHBondContact O-N 2.95Å
181	I	98.6	Very high	98.1	Very high	30 Å²	30	37.3 Å²	37.3	15%	0.154	20%	0.196	C	C	.	.	H	α-helix	trans	-60.6	-42.7	176.2	-66.8	168.6	0	0	0	111.3	W119 L166 L170 E177 M178 D184 Y185	W119-I181 HydrophobicContact CH2-CG2 4.01Å; W119-I181 HydrophobicContact CZ2-CG2 3.68Å; L166-I181 HydrophobicContact CD1-CG2 3.86Å; L166-I181 HydrophobicContact CD2-CD1 4.34Å; L166-I181 HydrophobicContact CD2-CG2 4.43Å; L170-I181 HydrophobicContact CD1-CD1 3.49Å; L170-I181 VanDerWaalsContact CD1-CD1 3.49Å; E177-I181 PolarHBondContact O-N 3.08Å; M178-I181 HydrophobicContact SD-CD1 4.33Å; I181-D184 PolarHBondContact O-N 3Å; I181-Y185 PolarHBondContact O-N 3.43Å; I181-Y185 VanDerWaalsContact O-N 3.12Å
182	F	98.8	Very high	98.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-69.6	-36	176.6	-177.7	-106.8	0	0	0	112.6	W119 L157 W173 M178 E180 Y185 S186 I203 A240 A244	W119-F182 HydrophobicContact CE3-CD2 4.39Å; W119-F182 HydrophobicContact CH2-CB 4.03Å; W119-F182 AromaticContact CH2-CD2 3.92Å; W119-F182 HydrophobicContact CH2-CD2 3.92Å; W119-F182 HydrophobicContact CH2-CG 4.5Å; W119-F182 AromaticContact CZ3-CD2 3.77Å; W119-F182 HydrophobicContact CZ3-CD2 3.77Å; L157-F182 HydrophobicContact CB-CE2 4.32Å; L157-F182 HydrophobicContact CB-CZ 4.05Å; L157-F182 HydrophobicContact CD1-CZ 4.29Å; W173-F182 HydrophobicContact CH2-CB 3.9Å; W173-F182 HydrophobicContact CH2-CD1 4.46Å; W173-F182 AromaticContact CH2-CD2 3.93Å; W173-F182 HydrophobicContact CH2-CD2 3.93Å; W173-F182 AromaticContact CH2-CG 3.82Å; W173-F182 HydrophobicContact CH2-CG 3.82Å; W173-F182 HydrophobicContact CZ2-CD2 4.45Å; W173-F182 HydrophobicContact CZ3-CB 4.34Å; M178-F182 WeakPolarHBondContact O-CB 3.45Å; M178-F182 PolarHBondContact O-N 2.71Å; E180-F182 VanDerWaalsContact C-N 3.33Å; E180-F182 PolarHBondContact O-N 2.95Å; F182-Y185 AromaticContact CD2-CD1 3.96Å; F182-Y185 HydrophobicContact CD2-CD1 3.96Å; F182-Y185 AromaticContact CE2-CD1 3.88Å; F182-Y185 HydrophobicContact CE2-CD1 3.88Å; F182-Y185 HydrophobicContact CE2-CE1 4.18Å; F182-Y185 PolarHBondContact O-N 2.94Å; F182-S186 WeakPolarHBondContact O-CB 3.44Å; F182-S186 PolarHBondContact O-N 3.25Å; F182-S186 PolarHBondContact O-OG 2.66Å; F182-I203 HydrophobicContact CZ-CG1 4.3Å; F182-A240 HydrophobicContact CB-CB 4.33Å; F182-A240 HydrophobicContact CD1-CB 3.87Å; F182-A240 HydrophobicContact CG-CB 4.39Å; F182-A244 HydrophobicContact CD1-CB 4.49Å; F182-A244 HydrophobicContact CE1-CB 4.13Å
183	K	98.6	Very high	98.3	Very high	61 Å²	61	37.9 Å²	37.9	27%	0.265	20%	0.198	S	C	.	.	H	α-helix	trans	-62.7	-42.1	173.4	174.8	-170.7	163.9	-162.4	0	111.3	V179 E180 Y185 S186 D187 A243 L247	V179-K183 WeakPolarHBondContact O-CB 3.28Å; V179-K183 PolarHBondContact O-N 2.69Å; V179-K183 VanDerWaalsContact O-N 3.08Å; E180-K183 WeakPolarHBondContact O-CB 3.33Å; E180-K183 PolarHBondContact O-N 2.84Å; E180-K183 IonicContact OE1-NZ 2.71Å; E180-K183 PolarHBondContact OE1-NZ 3.16Å; E180-K183 WeakPolarHBondContact OE2-CD 3.12Å; E180-K183 IonicContact OE2-NZ 3.26Å; E180-K183 PolarHBondContact OE2-NZ 2.83Å; K183-Y185 VanDerWaalsContact C-N 3.35Å; K183-Y185 PolarHBondContact O-N 3.36Å; K183-S186 WeakPolarHBondContact O-CB 3.34Å; K183-S186 PolarHBondContact O-N 2.89Å; K183-D187 WeakPolarHBondContact O-CB 3.48Å; K183-D187 PolarHBondContact O-N 3.06Å; K183-A243 HydrophobicContact CB-CB 4.35Å; K183-A243 HydrophobicContact CD-CB 4.22Å; K183-L247 HydrophobicContact CG-CD2 4.05Å; K183-L247 WeakPolarHBondContact O-CD2 3.38Å
184	D	98.5	Very high	98.3	Very high	77 Å²	77	37.9 Å²	37.9	41%	0.412	20%	0.198	S	C	.	.	H	α-helix	trans	-64.8	-37.4	176.6	-78.9	-10.7	0	0	0	113	R128 E180 I181 F188	R128-D184 PolarHBondContact NE-O 3.48Å; R128-D184 PolarHBondContact NH2-O 3.49Å; E180-D184 PolarHBondContact O-N 2.95Å; I181-D184 PolarHBondContact O-N 3Å; D184-F188 PolarHBondContact O-N 3.49Å
185	Y	98.8	Very high	98.3	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-64.8	-46.6	170.9	167.3	-118.4	0	0	0	111.6	L117 W119 I122 F123 L157 I181 F182 K183 D187 F188 C189	L117-Y185 WeakPolarHBondContact CB-OH 3.39Å; W119-Y185 HydrophobicContact CB-CE1 4.2Å; W119-Y185 HydrophobicContact CB-CE2 4.35Å; W119-Y185 AromaticContact CD1-CD2 3.59Å; W119-Y185 AromaticContact CD1-CE2 3.72Å; W119-Y185 AromaticContact CD1-CG 3.84Å; W119-Y185 AromaticContact CD2-CD1 3.95Å; W119-Y185 HydrophobicContact CD2-CD1 3.95Å; W119-Y185 HydrophobicContact CD2-CE1 4.16Å; W119-Y185 HydrophobicContact CD2-CG 4.18Å; W119-Y185 AromaticContact CE2-CD1 3.95Å; W119-Y185 AromaticContact CE2-CG 3.78Å; W119-Y185 HydrophobicContact CE3-CD1 4.4Å; W119-Y185 HydrophobicContact CG-CD1 4.13Å; W119-Y185 HydrophobicContact CG-CD2 4.2Å; W119-Y185 HydrophobicContact CG-CE1 4Å; W119-Y185 HydrophobicContact CG-CE2 4.08Å; W119-Y185 HydrophobicContact CG-CG 4.21Å; W119-Y185 AromaticContact CG-CZ 3.97Å; W119-Y185 HydrophobicContact CZ2-CD1 4.38Å; W119-Y185 HydrophobicContact CZ2-CG 4.25Å; W119-Y185 AromaticContact NE1-CD2 3.72Å; W119-Y185 AromaticContact NE1-CG 3.62Å; I122-Y185 HydrophobicContact CB-CE2 4.34Å; I122-Y185 HydrophobicContact CD1-CE2 4.09Å; I122-Y185 HydrophobicContact CG2-CE2 4.36Å; F123-Y185 AromaticContact CD2-CD2 3.66Å; F123-Y185 HydrophobicContact CD2-CD2 3.66Å; F123-Y185 HydrophobicContact CD2-CE2 4.47Å; F123-Y185 HydrophobicContact CD2-CG 4.47Å; F123-Y185 AromaticContact CE2-CD2 3.76Å; F123-Y185 HydrophobicContact CE2-CD2 3.76Å; L157-Y185 HydrophobicContact CB-CE1 4.17Å; L157-Y185 WeakPolarHBondContact O-CE1 3.36Å; L157-Y185 PolarHBondContact O-OH 2.9Å; I181-Y185 PolarHBondContact O-N 3.43Å; I181-Y185 VanDerWaalsContact O-N 3.12Å; F182-Y185 AromaticContact CD2-CD1 3.96Å; F182-Y185 HydrophobicContact CD2-CD1 3.96Å; F182-Y185 AromaticContact CE2-CD1 3.88Å; F182-Y185 HydrophobicContact CE2-CD1 3.88Å; F182-Y185 HydrophobicContact CE2-CE1 4.18Å; F182-Y185 PolarHBondContact O-N 2.94Å; K183-Y185 VanDerWaalsContact C-N 3.35Å; K183-Y185 PolarHBondContact O-N 3.36Å; Y185-D187 VanDerWaalsContact C-N 3.33Å; Y185-D187 PolarHBondContact O-N 3.07Å; Y185-F188 WeakPolarHBondContact O-CB 3.24Å; Y185-F188 PolarHBondContact O-N 3.1Å; Y185-C189 WeakPolarHBondContact CE2-SG 3.42Å; Y185-C189 PolarHBondContact O-N 2.81Å; Y185-C189 PolarHBondContact O-SG 2.81Å; Y185-C189 VanDerWaalsContact O-SG 3.4Å
186	S	98.8	Very high	98.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.9	-42.7	177.2	-58.4	0	0	0	0	111.7	L157 F182 K183 F188 C189 F190	L157-S186 WeakPolarHBondContact CD1-OG 3.4Å; F182-S186 WeakPolarHBondContact O-CB 3.44Å; F182-S186 PolarHBondContact O-N 3.25Å; F182-S186 PolarHBondContact O-OG 2.66Å; K183-S186 WeakPolarHBondContact O-CB 3.34Å; K183-S186 PolarHBondContact O-N 2.89Å; S186-F188 VanDerWaalsContact C-N 3.34Å; S186-F188 PolarHBondContact O-N 2.83Å; S186-C189 PolarHBondContact O-N 3.09Å; S186-F190 WeakPolarHBondContact O-CD2 3.28Å; S186-F190 WeakPolarHBondContact O-CG 3.22Å; S186-F190 PolarHBondContact O-N 3.48Å
187	D	98.8	Very high	98.3	Very high	38 Å²	38	37 Å²	37	20%	0.203	19%	0.186	C	C	.	.	H	α-helix	trans	-56.8	-46.4	175.7	-173.7	47	0	0	0	111.8	R128 K183 Y185 C189 F190 H191 L247 Y252	R128-D187 IonicContact CZ-OD2 2.92Å; R128-D187 IonicContact NH1-OD2 2.85Å; R128-D187 VanDerWaalsContact NH2-CB 3.32Å; R128-D187 IonicContact NH2-OD2 3.33Å; R128-D187 PolarHBondContact NH2-OD2 3.02Å; K183-D187 WeakPolarHBondContact O-CB 3.48Å; K183-D187 PolarHBondContact O-N 3.06Å; Y185-D187 VanDerWaalsContact C-N 3.33Å; Y185-D187 PolarHBondContact O-N 3.07Å; D187-C189 PolarHBondContact O-N 2.87Å; D187-F190 PolarHBondContact O-N 2.97Å; D187-H191 WeakPolarHBondContact O-CB 3.4Å; D187-H191 PolarHBondContact O-N 3.31Å; D187-L247 HydrophobicContact CB-CD1 4.42Å; D187-L247 HydrophobicContact CB-CD2 3.58Å; D187-Y252 PolarHBondContact O-OH 2.96Å; D187-Y252 VanDerWaalsContact OD1-CE2 3.27Å; D187-Y252 WeakPolarHBondContact OD1-CE2 3.44Å; D187-Y252 VanDerWaalsContact OD1-CZ 3.3Å; D187-Y252 PolarHBondContact OD1-OH 3.09Å
188	F	98.7	Very high	98.4	Very high	31 Å²	31	34.8 Å²	34.8	14%	0.136	17%	0.174	C	C	.	.	H	α-helix	trans	-60.6	-46.6	175.5	175.8	-92.4	0	0	0	111.6	I122 F123 Y131 T136 D184 Y185 S186 H191 A192	I122-F188 HydrophobicContact CG2-CD1 3.88Å; I122-F188 HydrophobicContact CG2-CE1 3.64Å; F123-F188 HydrophobicContact CE2-CB 4.08Å; F123-F188 HydrophobicContact CE2-CD1 4.22Å; F123-F188 HydrophobicContact CE2-CG 4.15Å; F123-F188 HydrophobicContact CZ-CB 3.89Å; F123-F188 AromaticContact CZ-CD1 3.84Å; F123-F188 HydrophobicContact CZ-CD1 3.84Å; F123-F188 AromaticContact CZ-CD2 3.98Å; F123-F188 HydrophobicContact CZ-CD2 3.98Å; F123-F188 HydrophobicContact CZ-CE1 4.44Å; F123-F188 AromaticContact CZ-CG 3.6Å; F123-F188 HydrophobicContact CZ-CG 3.6Å; Y131-F188 HydrophobicContact CD2-CE2 4.12Å; Y131-F188 AromaticContact CD2-CZ 3.92Å; Y131-F188 HydrophobicContact CD2-CZ 3.92Å; Y131-F188 HydrophobicContact CE2-CE1 4.01Å; Y131-F188 AromaticContact CE2-CE2 3.73Å; Y131-F188 HydrophobicContact CE2-CE2 3.73Å; Y131-F188 AromaticContact CE2-CZ 3.22Å; Y131-F188 HydrophobicContact CE2-CZ 3.22Å; Y131-F188 AromaticContact CZ-CZ 3.84Å; T136-F188 HydrophobicContact CG2-CE1 4.06Å; T136-F188 HydrophobicContact CG2-CZ 3.98Å; D184-F188 PolarHBondContact O-N 3.49Å; Y185-F188 WeakPolarHBondContact O-CB 3.24Å; Y185-F188 PolarHBondContact O-N 3.1Å; S186-F188 VanDerWaalsContact C-N 3.34Å; S186-F188 PolarHBondContact O-N 2.83Å; F188-H191 PolarHBondContact O-N 3.48Å; F188-A192 HydrophobicContact CE1-CB 4.1Å; F188-A192 HydrophobicContact CZ-CB 4.15Å; F188-A192 VanDerWaalsContact O-CB 3.23Å; F188-A192 WeakPolarHBondContact O-CB 3.35Å; F188-A192 PolarHBondContact O-N 3.02Å
189	C	98.8	Very high	98.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64	-43	-179.4	-67.3	0	0	0	0	112.6	L117 L157 Y185 S186 D187 H191 A192 F193 W200	L117-C189 HydrophobicContact CD1-CB 4.1Å; L117-C189 VanDerWaalsContact CD1-SG 3.56Å; L157-C189 HydrophobicContact CD2-CB 3.55Å; Y185-C189 WeakPolarHBondContact CE2-SG 3.42Å; Y185-C189 PolarHBondContact O-N 2.81Å; Y185-C189 PolarHBondContact O-SG 2.81Å; Y185-C189 VanDerWaalsContact O-SG 3.4Å; S186-C189 PolarHBondContact O-N 3.09Å; D187-C189 PolarHBondContact O-N 2.87Å; C189-H191 VanDerWaalsContact C-N 3.34Å; C189-A192 PolarHBondContact O-N 3.43Å; C189-F193 HydrophobicContact CB-CD2 4.24Å; C189-F193 VanDerWaalsContact O-CD2 3.31Å; C189-F193 WeakPolarHBondContact O-CD2 3.47Å; C189-F193 PolarHBondContact O-N 3.34Å; C189-W200 HydrophobicContact CB-CH2 4.39Å; C189-W200 HydrophobicContact CB-CZ3 4.41Å
190	F	98.8	Very high	98.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.3	-40.2	177.3	-60.5	-34.1	0	0	0	111.7	L157 S186 D187 G194 W200 L247 Y248 Y252 Q256 L260	L157-F190 HydrophobicContact CD1-CE1 3.92Å; L157-F190 HydrophobicContact CD1-CZ 3.87Å; S186-F190 WeakPolarHBondContact O-CD2 3.28Å; S186-F190 WeakPolarHBondContact O-CG 3.22Å; S186-F190 PolarHBondContact O-N 3.48Å; D187-F190 PolarHBondContact O-N 2.97Å; F190-G194 VanDerWaalsContact O-CA 3.28Å; F190-G194 WeakPolarHBondContact O-CA 3.39Å; F190-G194 PolarHBondContact O-N 3.24Å; F190-W200 AromaticContact CD1-CD2 3.89Å; F190-W200 HydrophobicContact CD1-CD2 3.89Å; F190-W200 AromaticContact CD1-CE2 3.74Å; F190-W200 HydrophobicContact CD1-CE3 4.16Å; F190-W200 HydrophobicContact CD1-CG 4.42Å; F190-W200 HydrophobicContact CD1-CH2 4.09Å; F190-W200 AromaticContact CD1-CZ2 3.84Å; F190-W200 HydrophobicContact CD1-CZ2 3.84Å; F190-W200 HydrophobicContact CD1-CZ3 4.26Å; F190-W200 HydrophobicContact CE1-CB 4.45Å; F190-W200 AromaticContact CE1-CD2 3.71Å; F190-W200 HydrophobicContact CE1-CD2 3.71Å; F190-W200 AromaticContact CE1-CE3 3.88Å; F190-W200 HydrophobicContact CE1-CE3 3.88Å; F190-W200 AromaticContact CE1-CG 3.99Å; F190-W200 HydrophobicContact CE1-CG 3.99Å; F190-W200 HydrophobicContact CE1-CZ2 4.49Å; F190-W200 HydrophobicContact CE1-CZ3 4.35Å; F190-L247 HydrophobicContact CD2-CD2 4.1Å; F190-L247 HydrophobicContact CE2-CD2 4.13Å; F190-Y248 HydrophobicContact CB-CD2 4.32Å; F190-Y248 AromaticContact CD1-CD2 3.67Å; F190-Y248 HydrophobicContact CD1-CD2 3.67Å; F190-Y248 HydrophobicContact CD1-CE2 4.1Å; F190-Y248 AromaticContact CD2-CD2 3.85Å; F190-Y248 HydrophobicContact CD2-CD2 3.85Å; F190-Y248 AromaticContact CE1-CD2 3.86Å; F190-Y248 HydrophobicContact CE1-CD2 3.86Å; F190-Y248 HydrophobicContact CE1-CE2 4.49Å; F190-Y248 HydrophobicContact CE2-CD2 4.03Å; F190-Y248 HydrophobicContact CE2-CG 4.39Å; F190-Y248 AromaticContact CG-CD2 3.69Å; F190-Y248 HydrophobicContact CG-CD2 3.69Å; F190-Y248 HydrophobicContact CG-CE2 4.31Å; F190-Y248 HydrophobicContact CZ-CD2 4.04Å; F190-Y248 HydrophobicContact CZ-CG 4.43Å; F190-Y252 HydrophobicContact CB-CD1 3.87Å; F190-Y252 HydrophobicContact CB-CD2 3.76Å; F190-Y252 HydrophobicContact CB-CE1 3.91Å; F190-Y252 HydrophobicContact CB-CE2 3.8Å; F190-Y252 HydrophobicContact CB-CG 3.79Å; F190-Y252 AromaticContact CD2-CD2 3.95Å; F190-Y252 HydrophobicContact CD2-CD2 3.95Å; F190-Y252 HydrophobicContact CD2-CE2 4.1Å; F190-Y252 HydrophobicContact CG-CD2 4.26Å; F190-Y252 HydrophobicContact CG-CE2 4.46Å; F190-Q256 PolarHBondContact O-NE2 3.01Å; F190-L260 HydrophobicContact CE1-CD1 3.9Å; F190-L260 HydrophobicContact CE2-CD1 4.37Å; F190-L260 HydrophobicContact CZ-CD1 3.44Å; F190-L260 VanDerWaalsContact CZ-CD1 3.44Å
191	H	98.4	Very high	98.4	Very high	138 Å²	138	31.2 Å²	31.2	64%	0.639	16%	0.155	S	C	*	.	H	α-helix	trans	-64.5	-48.9	174	-173.8	78.3	0	0	0	112.1	D187 F188 C189 Y252	D187-H191 WeakPolarHBondContact O-CB 3.4Å; D187-H191 PolarHBondContact O-N 3.31Å; F188-H191 PolarHBondContact O-N 3.48Å; C189-H191 VanDerWaalsContact C-N 3.34Å; H191-Y252 HydrophobicContact CB-CE1 4.11Å
192	A	98.2	Very high	98.4	Very high	28 Å²	28	29.8 Å²	29.8	23%	0.231	15%	0.148	C	C	.	.	H	α-helix	trans	-73.2	-31.6	-172	0	0	0	0	0	114	F188 C189	F188-A192 HydrophobicContact CE1-CB 4.1Å; F188-A192 HydrophobicContact CZ-CB 4.15Å; F188-A192 VanDerWaalsContact O-CB 3.23Å; F188-A192 WeakPolarHBondContact O-CB 3.35Å; F188-A192 PolarHBondContact O-N 3.02Å; C189-A192 PolarHBondContact O-N 3.43Å
193	F	98.5	Very high	98.4	Very high	7 Å²	7	29.8 Å²	29.8	3%	0.031	15%	0.148	C	C	.	.	H	α-helix	trans	-125.3	-16.7	-170.4	-49.9	-64	0	0	0	114.3	L117 I122 T136 R140 I143 C189 D195 D196 V197 W200	L117-F193 HydrophobicContact CD1-CD2 4.06Å; L117-F193 HydrophobicContact CD1-CE2 3.83Å; L117-F193 HydrophobicContact CD2-CE2 4.36Å; I122-F193 HydrophobicContact CD1-CE2 4.33Å; T136-F193 HydrophobicContact CG2-CE1 4.27Å; T136-F193 HydrophobicContact CG2-CZ 3.83Å; R140-F193 HydrophobicContact CG-CD1 4.24Å; R140-F193 HydrophobicContact CG-CE1 3.73Å; I143-F193 HydrophobicContact CD1-CB 3.88Å; I143-F193 HydrophobicContact CD1-CD1 3.67Å; I143-F193 HydrophobicContact CD1-CE1 4.44Å; I143-F193 HydrophobicContact CD1-CG 3.94Å; C189-F193 HydrophobicContact CB-CD2 4.24Å; C189-F193 VanDerWaalsContact O-CD2 3.31Å; C189-F193 WeakPolarHBondContact O-CD2 3.47Å; C189-F193 PolarHBondContact O-N 3.34Å; F193-D195 VanDerWaalsContact C-N 3.29Å; F193-D195 PolarHBondContact O-N 3.05Å; F193-D196 PolarHBondContact O-N 3.34Å; F193-V197 HydrophobicContact CB-CG2 4.1Å; F193-V197 WeakPolarHBondContact O-CG2 3.33Å; F193-V197 PolarHBondContact O-N 2.93Å; F193-W200 HydrophobicContact CB-CH2 4.01Å; F193-W200 HydrophobicContact CB-CZ2 4.41Å; F193-W200 HydrophobicContact CD2-CH2 4.5Å
194	G	97.8	Very high	98.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-13.9	-166.3	0	0	0	0	0	116.4	F190 D196 Q256	F190-G194 VanDerWaalsContact O-CA 3.28Å; F190-G194 WeakPolarHBondContact O-CA 3.39Å; F190-G194 PolarHBondContact O-N 3.24Å; G194-D196 PolarHBondContact O-N 3.03Å; G194-Q256 VanDerWaalsContact C-NE2 3.33Å; G194-Q256 VanDerWaalsContact CA-CD 3.46Å; G194-Q256 VanDerWaalsContact O-CD 3.31Å; G194-Q256 WeakPolarHBondContact O-CG 3.35Å; G194-Q256 PolarHBondContact O-OE1 2.86Å
195	D	96.8	Very high	98.4	Very high	75 Å²	75	23.2 Å²	23.2	40%	0.401	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-32.1	169.3	-77.4	-12.6	0	0	0	110.9	F193 K198 R255	F193-D195 VanDerWaalsContact C-N 3.29Å; F193-D195 PolarHBondContact O-N 3.05Å; D195-K198 PolarHBondContact O-NZ 2.64Å; D195-R255 IonicContact OD1-CZ 3.36Å; D195-R255 IonicContact OD1-NE 3.1Å; D195-R255 PolarHBondContact OD1-NE 3.11Å; D195-R255 VanDerWaalsContact OD1-NE 3.13Å; D195-R255 IonicContact OD1-NH2 2.81Å; D195-R255 PolarHBondContact OD1-NH2 3.41Å; D195-R255 IonicContact OD2-CZ 3.42Å; D195-R255 IonicContact OD2-NH2 3.42Å; D195-R255 PolarHBondContact OD2-NH2 3.25Å
196	D	97.6	Very high	98.3	Very high	62 Å²	62	23.1 Å²	23.1	33%	0.332	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-12.3	-176.3	-73.5	-18.4	0	0	0	114.6	I143 K147 P153 F193 G194	I143-D196 HydrophobicContact CG2-CB 3.62Å; K147-D196 HydrophobicContact CD-CB 3.83Å; K147-D196 VanDerWaalsContact CD-OD2 3.29Å; K147-D196 WeakPolarHBondContact CD-OD2 3.18Å; K147-D196 WeakPolarHBondContact CE-OD1 3.41Å; K147-D196 IonicContact NZ-OD1 2.83Å; K147-D196 PolarHBondContact NZ-OD1 2.86Å; K147-D196 IonicContact NZ-OD2 3.46Å; K147-D196 PolarHBondContact NZ-OD2 2.92Å; P153-D196 WeakPolarHBondContact CG-O 3.48Å; F193-D196 PolarHBondContact O-N 3.34Å; G194-D196 PolarHBondContact O-N 3.03Å
197	V	98.3	Very high	98.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.116	C	C	.	.			trans	-108.1	118.6	-177.3	-178.9	0	0	0	0	110.9	I143 P153 V155 F193 Y199 W200	I143-V197 HydrophobicContact CD1-CG2 4.05Å; P153-V197 HydrophobicContact CB-CG2 4.3Å; P153-V197 HydrophobicContact CG-CB 4.38Å; P153-V197 HydrophobicContact CG-CG2 3.84Å; V155-V197 HydrophobicContact CB-CG1 3.96Å; V155-V197 HydrophobicContact CG2-CB 4.31Å; V155-V197 HydrophobicContact CG2-CG1 3.67Å; V155-V197 HydrophobicContact CG2-CG2 3.59Å; F193-V197 HydrophobicContact CB-CG2 4.1Å; F193-V197 WeakPolarHBondContact O-CG2 3.33Å; F193-V197 PolarHBondContact O-N 2.93Å; V197-Y199 WeakPolarHBondContact CG1-O 3.33Å; V197-W200 HydrophobicContact CB-CH2 4.25Å; V197-W200 HydrophobicContact CB-CZ2 3.55Å; V197-W200 HydrophobicContact CG1-CD2 3.74Å; V197-W200 HydrophobicContact CG1-CE3 4.26Å; V197-W200 HydrophobicContact CG1-CG 4.21Å; V197-W200 HydrophobicContact CG1-CH2 4.23Å; V197-W200 HydrophobicContact CG1-CZ2 3.68Å; V197-W200 HydrophobicContact CG1-CZ3 4.47Å; V197-W200 HydrophobicContact CG2-CH2 4.32Å; V197-W200 HydrophobicContact CG2-CZ2 4.06Å; V197-W200 PolarHBondContact O-NE1 3.07Å
198	K	98.1	Very high	98.1	Very high	71 Å²	71	21.5 Å²	21.5	31%	0.309	11%	0.106	S	C	.	.			trans	-104	-11.1	179.9	-56	-52.4	178.8	-156.6	0	114.2	D195 Q256 G258 K259	D195-K198 PolarHBondContact O-NZ 2.64Å; K198-Q256 WeakPolarHBondContact CD-O 3.33Å; K198-Q256 WeakPolarHBondContact CE-O 3.26Å; K198-Q256 PolarHBondContact NZ-O 3.36Å; K198-G258 CarbonylContact O-C 3.48Å; K198-G258 WeakPolarHBondContact O-CA 3.38Å; K198-K259 PolarHBondContact O-N 3.44Å
199	Y	98.6	Very high	98.1	Very high	35 Å²	35	20.3 Å²	20.3	14%	0.137	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	120.3	176.4	-71.6	-85	0	0	0	110.3	M51 H112 V154 V155 V197 K259 F332	M51-Y199 HydrophobicContact CE-CE1 4.28Å; M51-Y199 HydrophobicContact SD-CE1 4.25Å; M51-Y199 HydrophobicContact SD-CE2 3.82Å; M51-Y199 VanDerWaalsContact SD-CZ 3.58Å; M51-Y199 PolarHBondContact SD-OH 3.42Å; M51-Y199 VanDerWaalsContact SD-OH 3.41Å; H112-Y199 AromaticContact NE2-CE2 3.83Å; V154-Y199 CarbonylContact C-O 3.43Å; V154-Y199 WeakPolarHBondContact CA-O 3.35Å; V155-Y199 PolarHBondContact N-O 2.89Å; V197-Y199 WeakPolarHBondContact CG1-O 3.33Å; Y199-K259 CarbonylContact C-O 3.47Å; Y199-K259 WeakPolarHBondContact CA-O 3.4Å; Y199-K259 HydrophobicContact CD1-CB 4.27Å; Y199-K259 HydrophobicContact CE1-CB 4.36Å; Y199-K259 HydrophobicContact CE1-CD 4.1Å; Y199-F332 AromaticContact CD1-CE1 3.9Å; Y199-F332 HydrophobicContact CD1-CE1 3.9Å; Y199-F332 HydrophobicContact CD1-CZ 4.06Å; Y199-F332 HydrophobicContact CE1-CE1 4.44Å
200	W	98.9	Very high	98	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	137.3	-179.4	-68.4	98.5	0	0	0	110.8	V155 L157 C189 F190 F193 V197 Y248 K259 L260 S261	V155-W200 HydrophobicContact CB-CE3 3.76Å; V155-W200 HydrophobicContact CB-CH2 4.37Å; V155-W200 HydrophobicContact CB-CZ3 3.64Å; V155-W200 HydrophobicContact CG1-CE3 3.96Å; V155-W200 HydrophobicContact CG1-CH2 4.32Å; V155-W200 HydrophobicContact CG1-CZ3 3.48Å; V155-W200 VanDerWaalsContact CG1-CZ3 3.48Å; V155-W200 HydrophobicContact CG2-CZ3 4.47Å; V155-W200 CarbonylContact O-C 3.55Å; V155-W200 WeakPolarHBondContact O-CA 3.32Å; L157-W200 HydrophobicContact CD2-CE3 3.77Å; L157-W200 HydrophobicContact CD2-CZ3 3.45Å; L157-W200 VanDerWaalsContact CD2-CZ3 3.45Å; L157-W200 HydrophobicContact CG-CE3 4.19Å; L157-W200 HydrophobicContact CG-CZ3 4.35Å; C189-W200 HydrophobicContact CB-CH2 4.39Å; C189-W200 HydrophobicContact CB-CZ3 4.41Å; F190-W200 AromaticContact CD1-CD2 3.89Å; F190-W200 HydrophobicContact CD1-CD2 3.89Å; F190-W200 AromaticContact CD1-CE2 3.74Å; F190-W200 HydrophobicContact CD1-CE3 4.16Å; F190-W200 HydrophobicContact CD1-CG 4.42Å; F190-W200 HydrophobicContact CD1-CH2 4.09Å; F190-W200 AromaticContact CD1-CZ2 3.84Å; F190-W200 HydrophobicContact CD1-CZ2 3.84Å; F190-W200 HydrophobicContact CD1-CZ3 4.26Å; F190-W200 HydrophobicContact CE1-CB 4.45Å; F190-W200 AromaticContact CE1-CD2 3.71Å; F190-W200 HydrophobicContact CE1-CD2 3.71Å; F190-W200 AromaticContact CE1-CE3 3.88Å; F190-W200 HydrophobicContact CE1-CE3 3.88Å; F190-W200 AromaticContact CE1-CG 3.99Å; F190-W200 HydrophobicContact CE1-CG 3.99Å; F190-W200 HydrophobicContact CE1-CZ2 4.49Å; F190-W200 HydrophobicContact CE1-CZ3 4.35Å; F193-W200 HydrophobicContact CB-CH2 4.01Å; F193-W200 HydrophobicContact CB-CZ2 4.41Å; F193-W200 HydrophobicContact CD2-CH2 4.5Å; V197-W200 HydrophobicContact CB-CH2 4.25Å; V197-W200 HydrophobicContact CB-CZ2 3.55Å; V197-W200 HydrophobicContact CG1-CD2 3.74Å; V197-W200 HydrophobicContact CG1-CE3 4.26Å; V197-W200 HydrophobicContact CG1-CG 4.21Å; V197-W200 HydrophobicContact CG1-CH2 4.23Å; V197-W200 HydrophobicContact CG1-CZ2 3.68Å; V197-W200 HydrophobicContact CG1-CZ3 4.47Å; V197-W200 HydrophobicContact CG2-CH2 4.32Å; V197-W200 HydrophobicContact CG2-CZ2 4.06Å; V197-W200 PolarHBondContact O-NE1 3.07Å; W200-Y248 AromaticContact CD1-CE2 3.83Å; W200-Y248 AromaticContact CD1-CZ 3.97Å; W200-Y248 AromaticContact NE1-CE2 3.75Å; W200-K259 PolarHBondContact N-O 2.84Å; W200-L260 HydrophobicContact CB-CB 4.08Å; W200-L260 HydrophobicContact CB-CD1 4.01Å; W200-L260 HydrophobicContact CB-CG 3.93Å; W200-L260 CarbonylContact O-C 3.53Å; W200-L260 WeakPolarHBondContact O-CA 3.42Å; W200-S261 PolarHBondContact O-N 2.97Å
201	I	98.9	Very high	97.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123.6	166.9	-57.4	-61.9	0	0	0	106.9	V154 V155 T156 L157 S261 A263 F332 A334 V379	V154-I201 HydrophobicContact CG1-CG1 4.36Å; V155-I201 PolarHBondContact O-N 3.01Å; T156-I201 CarbonylContact C-O 3.56Å; T156-I201 VanDerWaalsContact CA-O 3.23Å; T156-I201 WeakPolarHBondContact CA-O 3.38Å; T156-I201 HydrophobicContact CG2-CB 4.24Å; T156-I201 HydrophobicContact CG2-CG2 4.06Å; L157-I201 PolarHBondContact N-O 3.24Å; I201-S261 WeakPolarHBondContact CA-O 3.28Å; I201-A263 HydrophobicContact CG2-CB 3.67Å; I201-F332 HydrophobicContact CD1-CE2 4.12Å; I201-F332 HydrophobicContact CD1-CZ 3.86Å; I201-A334 HydrophobicContact CD1-CB 3.69Å; I201-V379 HydrophobicContact CD1-CG1 4.25Å
202	T	98.9	Very high	97.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-58.7	179.2	54.4	0	0	0	0	111.2	L157 Y158 H241 A244 L260 S261	L157-T202 WeakPolarHBondContact CB-O 3.43Å; L157-T202 HydrophobicContact CD1-CG2 4.29Å; Y158-T202 WeakPolarHBondContact CB-O 3.18Å; Y158-T202 PolarHBondContact N-O 3Å; T202-H241 PolarHBondContact OG1-ND1 2.76Å; T202-A244 HydrophobicContact CG2-CB 3.95Å; T202-L260 HydrophobicContact CG2-CD1 4Å; T202-L260 HydrophobicContact CG2-CD2 3.71Å; T202-L260 HydrophobicContact CG2-CG 4.1Å; T202-S261 PolarHBondContact N-O 3.04Å
203	I	98.8	Very high	97.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.9	-172.3	-66.1	160.3	0	0	0	107.5	Y158 F182 P206 L237 H241 M262 A263	Y158-I203 HydrophobicContact CD1-CB 4.5Å; Y158-I203 HydrophobicContact CD1-CG1 4.17Å; Y158-I203 HydrophobicContact CD1-CG2 4.08Å; F182-I203 HydrophobicContact CZ-CG1 4.3Å; I203-P206 HydrophobicContact CG2-CB 3.93Å; I203-L237 HydrophobicContact CD1-CB 4.21Å; I203-L237 HydrophobicContact CD1-CD2 3.83Å; I203-L237 WeakPolarHBondContact CD1-O 3.14Å; I203-L237 HydrophobicContact CG2-CD2 4.48Å; I203-H241 HydrophobicContact CD1-CB 4.3Å; I203-M262 HydrophobicContact CB-CE 4.41Å; I203-M262 HydrophobicContact CB-CG 4.27Å; I203-M262 HydrophobicContact CD1-CE 4.09Å; I203-M262 WeakPolarHBondContact O-CG 3.42Å; I203-A263 PolarHBondContact O-N 2.76Å; I203-A263 VanDerWaalsContact O-N 3.09Å
204	D	98.4	Very high	97.5	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	122.7	168.1	-162.2	-59	0	0	0	110.7	R114 T156 Y158 H159 W160	R114-D204 IonicContact CZ-OD2 2.67Å; R114-D204 VanDerWaalsContact CZ-OD2 3.25Å; R114-D204 IonicContact NH1-OD2 2.59Å; R114-D204 PolarHBondContact NH1-OD2 2.94Å; R114-D204 VanDerWaalsContact NH1-OD2 3.17Å; R114-D204 IonicContact NH2-OD2 3.09Å; R114-D204 PolarHBondContact NH2-OD2 3.47Å; T156-D204 HydrophobicContact CG2-CB 4.06Å; Y158-D204 PolarHBondContact O-N 2.87Å; H159-D204 HydrophobicContact CB-CB 4.39Å; H159-D204 VanDerWaalsContact CE1-CG 3.46Å; H159-D204 IonicContact CE1-OD2 3.56Å; H159-D204 PolarHBondContact CE1-OD2 3.08Å; H159-D204 VanDerWaalsContact CE1-OD2 3.31Å; H159-D204 IonicContact ND1-OD2 3.41Å; H159-D204 IonicContact NE2-OD2 3.9Å; W160-D204 PolarHBondContact NE1-O 2.94Å
205	N	96.8	Very high	97.3	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.078	C	C	.	.			trans	49.1	67.7	168.3	-169.2	-5.2	0	0	0	113.2	W160 F207 V208 V209 A263 A265	W160-N205 HydrophobicContact CZ2-CB 3.92Å; N205-F207 PolarHBondContact O-N 2.85Å; N205-F207 VanDerWaalsContact O-N 3.15Å; N205-V208 WeakPolarHBondContact ND2-CG2 3.46Å; N205-V208 PolarHBondContact O-N 3.04Å; N205-V208 VanDerWaalsContact O-N 3.13Å; N205-V208 PolarHBondContact OD1-N 3.14Å; N205-V209 PolarHBondContact O-N 2.99Å; N205-A263 WeakPolarHBondContact CA-O 3.34Å; N205-A263 PolarHBondContact N-O 2.67Å; N205-A265 HydrophobicContact CB-CB 4.09Å; N205-A265 WeakPolarHBondContact ND2-CB 3.41Å; N205-A265 WeakPolarHBondContact OD1-CB 3.45Å
206	P	98.1	Very high	97.1	Very high	1 Å²	1	14 Å²	14	1%	0.006	7%	0.074	C	C	.	.	H	α-helix	trans	-62.2	-24.2	-177.8	32	-42.3	0	0	0	112.8	I203 V209 A210 L237 M262 A263 L264 F293	I203-P206 HydrophobicContact CG2-CB 3.93Å; P206-V209 PolarHBondContact O-N 3.15Å; P206-A210 WeakPolarHBondContact O-CB 3.37Å; P206-A210 PolarHBondContact O-N 2.83Å; P206-L237 HydrophobicContact CB-CD1 4.03Å; P206-M262 HydrophobicContact CB-SD 4.22Å; P206-M262 HydrophobicContact CG-CG 4.48Å; P206-M262 HydrophobicContact CG-SD 3.59Å; P206-M262 VanDerWaalsContact CG-SD 3.59Å; P206-A263 WeakPolarHBondContact CD-O 3.23Å; P206-L264 HydrophobicContact CG-CD2 4.11Å; P206-F293 HydrophobicContact CB-CD1 3.77Å; P206-F293 HydrophobicContact CB-CD2 4.41Å; P206-F293 HydrophobicContact CB-CE1 3.53Å; P206-F293 HydrophobicContact CB-CE2 4.18Å; P206-F293 HydrophobicContact CB-CG 4.22Å; P206-F293 HydrophobicContact CB-CZ 3.74Å; P206-F293 HydrophobicContact CG-CB 4.12Å; P206-F293 HydrophobicContact CG-CD1 3.49Å; P206-F293 VanDerWaalsContact CG-CD1 3.49Å; P206-F293 HydrophobicContact CG-CD2 3.73Å; P206-F293 HydrophobicContact CG-CE1 3.76Å; P206-F293 HydrophobicContact CG-CE2 3.96Å; P206-F293 HydrophobicContact CG-CG 3.48Å; P206-F293 VanDerWaalsContact CG-CG 3.48Å; P206-F293 HydrophobicContact CG-CZ 3.98Å
207	F	97.4	Very high	96.8	Very high	3 Å²	3	11.8 Å²	11.8	1%	0.013	7%	0.067	C	C	.	.	H	α-helix	trans	-58.4	-48.5	174.3	172.7	-89.2	0	0	0	111.2	N205 A210 Q211 H212 V289 W292 F293 L341 I346 L350	N205-F207 PolarHBondContact O-N 2.85Å; N205-F207 VanDerWaalsContact O-N 3.15Å; F207-A210 PolarHBondContact O-N 2.98Å; F207-Q211 HydrophobicContact CE1-CB 4.26Å; F207-Q211 HydrophobicContact CE1-CG 4.41Å; F207-Q211 HydrophobicContact CE2-CB 4.15Å; F207-Q211 HydrophobicContact CE2-CG 4.26Å; F207-Q211 HydrophobicContact CZ-CB 4.01Å; F207-Q211 HydrophobicContact CZ-CG 3.89Å; F207-Q211 WeakPolarHBondContact O-CB 3.13Å; F207-Q211 PolarHBondContact O-N 3.24Å; F207-H212 AromaticContact CE1-NE2 3.7Å; F207-V289 HydrophobicContact CD1-CG1 4.3Å; F207-V289 HydrophobicContact CD2-CB 4.34Å; F207-V289 HydrophobicContact CD2-CG1 4.07Å; F207-V289 HydrophobicContact CD2-CG2 4.46Å; F207-V289 HydrophobicContact CE1-CG1 4.41Å; F207-V289 HydrophobicContact CE2-CB 4.25Å; F207-V289 HydrophobicContact CE2-CG1 4.2Å; F207-V289 HydrophobicContact CE2-CG2 3.88Å; F207-V289 HydrophobicContact CG-CG1 4.14Å; F207-V289 HydrophobicContact CZ-CG1 4.38Å; F207-V289 HydrophobicContact CZ-CG2 4.07Å; F207-W292 AromaticContact CD2-CE3 3.7Å; F207-W292 HydrophobicContact CD2-CE3 3.7Å; F207-W292 AromaticContact CD2-CZ3 3.77Å; F207-W292 HydrophobicContact CD2-CZ3 3.77Å; F207-W292 HydrophobicContact CE2-CE3 4.28Å; F207-W292 HydrophobicContact CE2-CZ3 4.23Å; F207-F293 HydrophobicContact CB-CD2 4.36Å; F207-F293 HydrophobicContact CB-CE2 3.93Å; F207-L341 HydrophobicContact CD1-CD1 4.28Å; F207-L341 HydrophobicContact CD1-CD2 3.8Å; F207-L341 HydrophobicContact CE1-CD2 3.91Å; F207-I346 HydrophobicContact CE1-CD1 4.02Å; F207-I346 HydrophobicContact CZ-CD1 4.19Å; F207-L350 HydrophobicContact CE2-CD1 4.22Å; F207-L350 HydrophobicContact CZ-CD1 3.67Å
208	V	96	Very high	96.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.082	C	C	.	.	I	π-helix	trans	-65.5	-42.8	179.9	171.2	0	0	0	0	111.2	W160 N205 A210 H212 G213 V219 L341 L345	W160-V208 HydrophobicContact CH2-CB 4.36Å; W160-V208 HydrophobicContact CH2-CG1 3.85Å; W160-V208 HydrophobicContact CZ2-CB 3.98Å; W160-V208 HydrophobicContact CZ2-CG1 3.89Å; W160-V208 HydrophobicContact CZ2-CG2 4.39Å; W160-V208 HydrophobicContact CZ3-CG1 4.24Å; N205-V208 WeakPolarHBondContact ND2-CG2 3.46Å; N205-V208 PolarHBondContact O-N 3.04Å; N205-V208 VanDerWaalsContact O-N 3.13Å; N205-V208 PolarHBondContact OD1-N 3.14Å; V208-A210 PolarHBondContact O-N 3.15Å; V208-H212 HydrophobicContact CG1-CB 4.34Å; V208-H212 WeakPolarHBondContact O-CA 3.44Å; V208-H212 WeakPolarHBondContact O-CB 3.33Å; V208-H212 PolarHBondContact O-N 3.33Å; V208-G213 PolarHBondContact O-N 3.35Å; V208-V219 HydrophobicContact CG1-CG1 4.23Å; V208-V219 HydrophobicContact CG1-CG2 4.05Å; V208-L341 HydrophobicContact CG2-CD2 3.42Å; V208-L341 VanDerWaalsContact CG2-CD2 3.42Å; V208-L341 HydrophobicContact CG2-CG 4.36Å; V208-L345 HydrophobicContact CG1-CD1 4.03Å; V208-L345 HydrophobicContact CG2-CD1 3.86Å
209	V	97.6	Very high	96.2	Very high	7 Å²	7	11 Å²	11	4%	0.042	7%	0.068	C	C	.	.	I	π-helix	trans	-57.2	-50.3	177.8	-180	0	0	0	0	110.6	Y158 W160 N205 P206 G213 Y214 L237	Y158-V209 HydrophobicContact CE1-CG1 4.3Å; Y158-V209 HydrophobicContact CE1-CG2 4.12Å; W160-V209 HydrophobicContact CG-CG2 4.06Å; N205-V209 PolarHBondContact O-N 2.99Å; P206-V209 PolarHBondContact O-N 3.15Å; V209-G213 VanDerWaalsContact O-CA 3.28Å; V209-G213 WeakPolarHBondContact O-CA 3.28Å; V209-G213 PolarHBondContact O-N 3.38Å; V209-Y214 WeakPolarHBondContact O-CD2 3.06Å; V209-L237 HydrophobicContact CB-CD1 4.14Å; V209-L237 HydrophobicContact CG1-CD1 3.97Å
210	A	97.4	Very high	96	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.064	C	C	.	.	I	π-helix	trans	-72.2	-57.3	-177.7	0	0	0	0	0	112.4	P206 F207 V208 Y214 P230 V233 L237 W292 F293	P206-A210 WeakPolarHBondContact O-CB 3.37Å; P206-A210 PolarHBondContact O-N 2.83Å; F207-A210 PolarHBondContact O-N 2.98Å; V208-A210 PolarHBondContact O-N 3.15Å; A210-Y214 PolarHBondContact O-N 3.21Å; A210-P230 WeakPolarHBondContact CB-O 3.43Å; A210-V233 HydrophobicContact CB-CB 4.37Å; A210-V233 HydrophobicContact CB-CG1 3.91Å; A210-L237 HydrophobicContact CB-CD1 4.38Å; A210-W292 HydrophobicContact CB-CH2 3.52Å; A210-W292 HydrophobicContact CB-CZ2 4.2Å; A210-W292 HydrophobicContact CB-CZ3 4.28Å; A210-F293 HydrophobicContact CB-CZ 4.46Å
211	Q	95.4	Very high	95.9	Very high	34 Å²	34	11 Å²	11	16%	0.159	7%	0.073	C	C	.	.	I	π-helix	trans	-71.8	-44.1	-171.6	-175.7	62.6	10.2	0	0	112.7	F207 G215 T216 W292	F207-Q211 HydrophobicContact CE1-CB 4.26Å; F207-Q211 HydrophobicContact CE1-CG 4.41Å; F207-Q211 HydrophobicContact CE2-CB 4.15Å; F207-Q211 HydrophobicContact CE2-CG 4.26Å; F207-Q211 HydrophobicContact CZ-CB 4.01Å; F207-Q211 HydrophobicContact CZ-CG 3.89Å; F207-Q211 WeakPolarHBondContact O-CB 3.13Å; F207-Q211 PolarHBondContact O-N 3.24Å; Q211-G215 CarbonylContact O-C 3.5Å; Q211-G215 WeakPolarHBondContact O-CA 3.27Å; Q211-G215 PolarHBondContact O-N 3.14Å; Q211-G215 VanDerWaalsContact O-N 3.09Å; Q211-T216 PolarHBondContact O-N 2.78Å; Q211-W292 HydrophobicContact CB-CZ3 4.49Å
212	H	95	Very high	95.6	Very high	6 Å²	6	12.1 Å²	12.1	3%	0.028	8%	0.084	C	C	.	.	I	π-helix	trans	-94.8	-23.1	-175.5	-62.8	-62.1	0	0	0	113.2	F207 V208 T216 G217 V218 V219 L345	F207-H212 AromaticContact CE1-NE2 3.7Å; V208-H212 HydrophobicContact CG1-CB 4.34Å; V208-H212 WeakPolarHBondContact O-CA 3.44Å; V208-H212 WeakPolarHBondContact O-CB 3.33Å; V208-H212 PolarHBondContact O-N 3.33Å; H212-T216 WeakPolarHBondContact CA-OG1 3.45Å; H212-T216 PolarHBondContact ND1-OG1 2.71Å; H212-G217 CarbonylContact O-C 3.39Å; H212-G217 WeakPolarHBondContact O-CA 3.38Å; H212-G217 PolarHBondContact O-N 3.29Å; H212-V218 PolarHBondContact O-N 2.78Å; H212-V219 VanDerWaalsContact C-CG2 3.42Å; H212-V219 HydrophobicContact CB-CG1 4.33Å; H212-V219 HydrophobicContact CB-CG2 3.59Å; H212-V219 PolarHBondContact O-N 2.89Å; H212-L345 PolarHBondContact CE1-O 2.97Å; H212-L345 WeakPolarHBondContact NE2-CB 3.31Å; H212-L345 PolarHBondContact NE2-O 2.69Å
213	G	95.6	Very high	95.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-79	-38.2	174.7	0	0	0	0	0	113.3	V208 V209 P221 G222 I223	V208-G213 PolarHBondContact O-N 3.35Å; V209-G213 VanDerWaalsContact O-CA 3.28Å; V209-G213 WeakPolarHBondContact O-CA 3.28Å; V209-G213 PolarHBondContact O-N 3.38Å; G213-P221 WeakPolarHBondContact O-CD 3.38Å; G213-G222 PolarHBondContact O-N 2.9Å; G213-I223 PolarHBondContact O-N 2.71Å
214	Y	96.7	Very high	95.1	Very high	1 Å²	1	21.6 Å²	21.6	0%	0.004	13%	0.127	C	C	.	.	H	α-helix	trans	-123.1	4.1	-174.1	-61.7	-93.9	0	0	0	114.9	Q167 W173 V209 A210 P221 I223 L229 V233	Q167-Y214 PolarHBondContact OE1-OH 3.39Å; W173-Y214 HydrophobicContact CB-CE2 4.32Å; W173-Y214 PolarHBondContact N-OH 3.16Å; V209-Y214 WeakPolarHBondContact O-CD2 3.06Å; A210-Y214 PolarHBondContact O-N 3.21Å; Y214-P221 HydrophobicContact CD1-CG 4.19Å; Y214-P221 HydrophobicContact CE1-CG 3.66Å; Y214-P221 HydrophobicContact CE2-CG 4.04Å; Y214-I223 CarbonylContact C-O 3.28Å; Y214-I223 WeakPolarHBondContact CA-O 3.44Å; Y214-I223 HydrophobicContact CD1-CB 4.08Å; Y214-I223 HydrophobicContact CD1-CD1 3.83Å; Y214-I223 HydrophobicContact CD1-CG1 4.46Å; Y214-I223 HydrophobicContact CD1-CG2 4.44Å; Y214-I223 HydrophobicContact CE1-CD1 3.75Å; Y214-L229 HydrophobicContact CD1-CD2 3.78Å; Y214-L229 HydrophobicContact CD1-CG 4.18Å; Y214-L229 HydrophobicContact CG-CD2 4.38Å; Y214-L229 HydrophobicContact CG-CG 4.46Å; Y214-V233 HydrophobicContact CD1-CG2 4.02Å; Y214-V233 HydrophobicContact CD2-CB 4.21Å; Y214-V233 HydrophobicContact CD2-CG1 3.77Å; Y214-V233 HydrophobicContact CD2-CG2 3.71Å; Y214-V233 HydrophobicContact CE1-CG2 4.3Å; Y214-V233 HydrophobicContact CE2-CG1 3.9Å; Y214-V233 HydrophobicContact CE2-CG2 4.01Å; Y214-V233 HydrophobicContact CG-CG2 3.71Å
215	G	93.6	Very high	94.7	Very high	20 Å²	20	28.7 Å²	28.7	21%	0.206	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	-69.5	176.6	0	0	0	0	0	112.3	Q211 I223 K224 P230	Q211-G215 CarbonylContact O-C 3.5Å; Q211-G215 WeakPolarHBondContact O-CA 3.27Å; Q211-G215 PolarHBondContact O-N 3.14Å; Q211-G215 VanDerWaalsContact O-N 3.09Å; G215-I223 PolarHBondContact N-O 3.28Å; G215-K224 WeakPolarHBondContact O-CA 3.41Å; G215-K224 WeakPolarHBondContact O-CB 3.49Å; G215-P230 VanDerWaalsContact CA-CG 3.47Å
216	T	92.2	Very high	94.5	Very high	53 Å²	53	31 Å²	31	33%	0.325	18%	0.178	S	C	.	.	S	Bend	trans	-81.7	-20.2	-179.6	76	0	0	0	0	113.3	Q211 H212 V218	Q211-T216 PolarHBondContact O-N 2.78Å; H212-T216 WeakPolarHBondContact CA-OG1 3.45Å; H212-T216 PolarHBondContact ND1-OG1 2.71Å; T216-V218 VanDerWaalsContact C-N 3.27Å; T216-V218 PolarHBondContact O-N 3.42Å; T216-V218 VanDerWaalsContact OG1-CG2 3.28Å; T216-V218 WeakPolarHBondContact OG1-CG2 3.3Å; T216-V218 PolarHBondContact OG1-N 3.49Å
217	G	92.1	Very high	94.1	Very high	17 Å²	17	35.2 Å²	35.2	18%	0.175	21%	0.205	C	C	.	.			trans	65.4	22.2	-176.8	0	0	0	0	0	115.2	H212	H212-G217 CarbonylContact O-C 3.39Å; H212-G217 WeakPolarHBondContact O-CA 3.38Å; H212-G217 PolarHBondContact O-N 3.29Å
218	V	91.3	Very high	94	Very high	51 Å²	51	37.4 Å²	37.4	31%	0.309	22%	0.217	S	C	.	.	S	Bend	trans	-78.4	-27.8	-177.5	170.6	0	0	0	0	111.6	R84 H212 T216 L345 H433	R84-V218 PolarHBondContact NH2-O 3.27Å; R84-V218 VanDerWaalsContact NH2-O 3.1Å; H212-V218 PolarHBondContact O-N 2.78Å; T216-V218 VanDerWaalsContact C-N 3.27Å; T216-V218 PolarHBondContact O-N 3.42Å; T216-V218 VanDerWaalsContact OG1-CG2 3.28Å; T216-V218 WeakPolarHBondContact OG1-CG2 3.3Å; T216-V218 PolarHBondContact OG1-N 3.49Å; V218-L345 HydrophobicContact CG1-CD2 4.03Å; V218-H433 HydrophobicContact CG1-CB 3.94Å
219	V	93.1	Very high	94	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.018	22%	0.222	C	C	.	.	S	Bend	trans	-118.5	165.9	176	-57.5	0	0	0	0	110	W75 V208 H212 G222	W75-V219 HydrophobicContact CH2-CB 3.75Å; W75-V219 HydrophobicContact CH2-CG1 4.03Å; W75-V219 HydrophobicContact CZ2-CB 3.66Å; W75-V219 HydrophobicContact CZ2-CG1 4.17Å; V208-V219 HydrophobicContact CG1-CG1 4.23Å; V208-V219 HydrophobicContact CG1-CG2 4.05Å; H212-V219 VanDerWaalsContact C-CG2 3.42Å; H212-V219 HydrophobicContact CB-CG1 4.33Å; H212-V219 HydrophobicContact CB-CG2 3.59Å; H212-V219 PolarHBondContact O-N 2.89Å; V219-G222 WeakPolarHBondContact O-CA 3.34Å; V219-G222 PolarHBondContact O-N 3.03Å
220	A	94.3	Very high	94	Very high	6 Å²	6	38.2 Å²	38.2	5%	0.05	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	141.4	177.4	0	0	0	0	0	111.4	I74 W75 F78	I74-A220 HydrophobicContact CB-CB 4.23Å; I74-A220 HydrophobicContact CD1-CB 3.81Å; I74-A220 HydrophobicContact CG1-CB 3.85Å; W75-A220 HydrophobicContact CD2-CB 3.67Å; W75-A220 HydrophobicContact CE3-CB 4.19Å; W75-A220 HydrophobicContact CG-CB 3.87Å; W75-A220 HydrophobicContact CZ2-CB 4.23Å; F78-A220 HydrophobicContact CB-CB 3.69Å; F78-A220 HydrophobicContact CD1-CB 4Å; F78-A220 HydrophobicContact CD2-CB 4.37Å; F78-A220 HydrophobicContact CG-CB 3.78Å
221	P	95.4	Very high	94	Very high	29 Å²	29	39 Å²	39	19%	0.188	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	cis	-86	5.5	4.9	34.9	-37.8	0	0	0	115.4	Q167 G213 Y214 I223	Q167-P221 HydrophobicContact CG-CB 4.22Å; G213-P221 WeakPolarHBondContact O-CD 3.38Å; Y214-P221 HydrophobicContact CD1-CG 4.19Å; Y214-P221 HydrophobicContact CE1-CG 3.66Å; Y214-P221 HydrophobicContact CE2-CG 4.04Å; P221-I223 HydrophobicContact CB-CD1 4.33Å; P221-I223 HydrophobicContact CB-CG1 4.39Å; P221-I223 HydrophobicContact CG-CD1 3.83Å; P221-I223 HydrophobicContact CG-CG1 4.03Å
222	G	93.8	Very high	94.1	Very high	23 Å²	23	42.7 Å²	42.7	24%	0.237	24%	0.236	C	C	.	.			trans	80.9	19.4	175	0	0	0	0	0	115.6	G213 V219	G213-G222 PolarHBondContact O-N 2.9Å; V219-G222 WeakPolarHBondContact O-CA 3.34Å; V219-G222 PolarHBondContact O-N 3.03Å
223	I	94.3	Very high	94.2	Very high	51 Å²	51	42.4 Å²	42.4	26%	0.262	24%	0.235	S	C	.	.			trans	-83.1	135.2	-176.3	-62.3	172.6	0	0	0	109.7	G213 Y214 G215 P221 L229	G213-I223 PolarHBondContact O-N 2.71Å; Y214-I223 CarbonylContact C-O 3.28Å; Y214-I223 WeakPolarHBondContact CA-O 3.44Å; Y214-I223 HydrophobicContact CD1-CB 4.08Å; Y214-I223 HydrophobicContact CD1-CD1 3.83Å; Y214-I223 HydrophobicContact CD1-CG1 4.46Å; Y214-I223 HydrophobicContact CD1-CG2 4.44Å; Y214-I223 HydrophobicContact CE1-CD1 3.75Å; G215-I223 PolarHBondContact N-O 3.28Å; P221-I223 HydrophobicContact CB-CD1 4.33Å; P221-I223 HydrophobicContact CB-CG1 4.39Å; P221-I223 HydrophobicContact CG-CD1 3.83Å; P221-I223 HydrophobicContact CG-CG1 4.03Å; I223-L229 HydrophobicContact CG2-CD2 3.71Å
224	K	93	Very high	94.3	Very high	148 Å²	148	42.4 Å²	42.4	64%	0.643	24%	0.235	S	C	*	.			trans	-143.1	8.8	-174.8	65.8	-177.3	179.4	-176	0	115.4	G215	G215-K224 WeakPolarHBondContact O-CA 3.41Å; G215-K224 WeakPolarHBondContact O-CB 3.49Å
225	N	89.9	Confident	94.4	Very high	149 Å²	149	43.1 Å²	43.1	80%	0.797	24%	0.238	S	C	*	.	S	Bend	trans	-85.9	-14.8	-166.6	-61.1	-13.5	0	0	0	113.5
226	D	92.6	Very high	94.7	Very high	50 Å²	50	42.8 Å²	42.8	27%	0.267	23%	0.232	S	C	.	.			trans	-131.5	114.6	-176.9	179.9	-22.9	0	0	0	109.2	D228 L229 R232	D226-D228 PolarHBondContact O-N 3.32Å; D226-D228 WeakPolarHBondContact OD1-CA 3.41Å; D226-D228 PolarHBondContact OD1-N 2.75Å; D226-L229 HydrophobicContact CB-CB 3.87Å; D226-L229 WeakPolarHBondContact O-CB 3.26Å; D226-L229 PolarHBondContact O-N 2.81Å; D226-L229 PolarHBondContact OD1-N 2.68Å; D226-R232 IonicContact OD1-NH2 2.66Å; D226-R232 IonicContact OD2-CZ 3.2Å; D226-R232 IonicContact OD2-NH2 3.66Å; D226-R232 PolarHBondContact OD2-NH2 3.27Å
227	P	89.9	Confident	95	Very high	88 Å²	88	40.2 Å²	40.2	57%	0.571	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-10.6	-175.8	32.3	-37.3	0	0	0	113.9	R314	P227-R314 PolarHBondContact O-NH2 3.25Å
228	D	94.6	Very high	95.3	Very high	50 Å²	50	39.4 Å²	39.4	27%	0.267	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-15.9	-179.3	-61.6	-13.1	0	0	0	112.1	D226 P230 F231 R232 R314	D226-D228 PolarHBondContact O-N 3.32Å; D226-D228 WeakPolarHBondContact OD1-CA 3.41Å; D226-D228 PolarHBondContact OD1-N 2.75Å; D228-P230 VanDerWaalsContact C-CD 3.41Å; D228-F231 PolarHBondContact O-N 2.95Å; D228-R232 PolarHBondContact O-N 3.31Å; D228-R314 IonicContact OD1-CZ 3.72Å; D228-R314 VanDerWaalsContact OD1-CZ 3.28Å; D228-R314 IonicContact OD1-NE 3.71Å; D228-R314 PolarHBondContact OD1-NE 2.86Å; D228-R314 IonicContact OD1-NH2 2.87Å; D228-R314 PolarHBondContact OD1-NH2 3Å
229	L	96.4	Very high	95.6	Very high	21 Å²	21	39.8 Å²	39.8	11%	0.11	21%	0.206	C	C	.	.	H	α-helix	trans	-53.8	-39.9	176.6	-172.1	62.2	0	0	0	114.4	Y214 I223 D226 F231 R232 V233	Y214-L229 HydrophobicContact CD1-CD2 3.78Å; Y214-L229 HydrophobicContact CD1-CG 4.18Å; Y214-L229 HydrophobicContact CG-CD2 4.38Å; Y214-L229 HydrophobicContact CG-CG 4.46Å; I223-L229 HydrophobicContact CG2-CD2 3.71Å; D226-L229 HydrophobicContact CB-CB 3.87Å; D226-L229 WeakPolarHBondContact O-CB 3.26Å; D226-L229 PolarHBondContact O-N 2.81Å; D226-L229 PolarHBondContact OD1-N 2.68Å; L229-F231 PolarHBondContact O-N 3.31Å; L229-R232 PolarHBondContact O-N 2.81Å; L229-V233 HydrophobicContact CD1-CG2 4.39Å; L229-V233 HydrophobicContact CG-CG2 4.35Å; L229-V233 WeakPolarHBondContact O-CG2 3.44Å; L229-V233 PolarHBondContact O-N 2.83Å
230	P	96.9	Very high	95.9	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.013	21%	0.205	C	C	.	.	H	α-helix	trans	-54.3	-38.8	174.6	-29	37.4	0	0	0	113.4	A210 G215 D228 V233 G234	A210-P230 WeakPolarHBondContact CB-O 3.43Å; G215-P230 VanDerWaalsContact CA-CG 3.47Å; D228-P230 VanDerWaalsContact C-CD 3.41Å; P230-V233 PolarHBondContact O-N 3.42Å; P230-G234 PolarHBondContact O-N 3.1Å
231	F	97.6	Very high	96.1	Very high	18 Å²	18	39.4 Å²	39.4	8%	0.079	20%	0.202	C	C	.	.	H	α-helix	trans	-73.2	-37.6	-177.5	-58	-62.1	0	0	0	112	D228 L229 G234 H235 W292 M307 L311 L315	D228-F231 PolarHBondContact O-N 2.95Å; L229-F231 PolarHBondContact O-N 3.31Å; F231-G234 PolarHBondContact O-N 2.95Å; F231-H235 WeakPolarHBondContact O-CB 3.24Å; F231-H235 PolarHBondContact O-N 3.33Å; F231-W292 HydrophobicContact CD1-CH2 4.34Å; F231-W292 AromaticContact CD1-CZ2 3.9Å; F231-W292 HydrophobicContact CD1-CZ2 3.9Å; F231-M307 HydrophobicContact CE1-CE 4.21Å; F231-L311 HydrophobicContact CD1-CD1 4.07Å; F231-L311 HydrophobicContact CE1-CD1 3.45Å; F231-L311 VanDerWaalsContact CE1-CD1 3.45Å; F231-L311 HydrophobicContact CE1-CD2 4.49Å; F231-L311 HydrophobicContact CE2-CD1 4.2Å; F231-L311 HydrophobicContact CE2-CD2 4.05Å; F231-L311 HydrophobicContact CZ-CD1 3.53Å; F231-L311 HydrophobicContact CZ-CD2 3.71Å; F231-L311 HydrophobicContact CZ-CG 4.27Å; F231-L315 HydrophobicContact CB-CD1 4.12Å; F231-L315 HydrophobicContact CD1-CD1 3.87Å; F231-L315 HydrophobicContact CG-CD1 4.18Å
232	R	97	Very high	96.3	Very high	110 Å²	110	38.2 Å²	38.2	42%	0.415	20%	0.195	S	C	.	.	H	α-helix	trans	-64.6	-42.5	172	-68.3	-173.2	-62.9	-145.2	-7	112	D226 D228 L229 H235 N236 P316	D226-R232 IonicContact OD1-NH2 2.66Å; D226-R232 IonicContact OD2-CZ 3.2Å; D226-R232 IonicContact OD2-NH2 3.66Å; D226-R232 PolarHBondContact OD2-NH2 3.27Å; D228-R232 PolarHBondContact O-N 3.31Å; L229-R232 PolarHBondContact O-N 2.81Å; R232-H235 WeakPolarHBondContact O-CB 3.37Å; R232-H235 PolarHBondContact O-N 2.93Å; R232-N236 PolarHBondContact O-N 3.32Å; R232-P316 HydrophobicContact CG-CG 4.13Å
233	V	98.4	Very high	96.5	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.6	-48.6	174.9	166.8	0	0	0	0	110.9	W173 A210 Y214 L229 P230 H235 N236 L237	W173-V233 HydrophobicContact CB-CB 4.49Å; W173-V233 HydrophobicContact CB-CG1 3.73Å; W173-V233 HydrophobicContact CB-CG2 4.35Å; A210-V233 HydrophobicContact CB-CB 4.37Å; A210-V233 HydrophobicContact CB-CG1 3.91Å; Y214-V233 HydrophobicContact CD1-CG2 4.02Å; Y214-V233 HydrophobicContact CD2-CB 4.21Å; Y214-V233 HydrophobicContact CD2-CG1 3.77Å; Y214-V233 HydrophobicContact CD2-CG2 3.71Å; Y214-V233 HydrophobicContact CE1-CG2 4.3Å; Y214-V233 HydrophobicContact CE2-CG1 3.9Å; Y214-V233 HydrophobicContact CE2-CG2 4.01Å; Y214-V233 HydrophobicContact CG-CG2 3.71Å; L229-V233 HydrophobicContact CD1-CG2 4.39Å; L229-V233 HydrophobicContact CG-CG2 4.35Å; L229-V233 WeakPolarHBondContact O-CG2 3.44Å; L229-V233 PolarHBondContact O-N 2.83Å; P230-V233 PolarHBondContact O-N 3.42Å; V233-H235 VanDerWaalsContact C-N 3.27Å; V233-H235 PolarHBondContact O-N 2.93Å; V233-N236 PolarHBondContact O-N 2.86Å; V233-L237 HydrophobicContact CG1-CD1 3.92Å; V233-L237 HydrophobicContact CG1-CG 4.42Å; V233-L237 WeakPolarHBondContact O-CG 2.93Å; V233-L237 PolarHBondContact O-N 3.32Å
234	G	98.1	Very high	96.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.3	-37.3	176.5	0	0	0	0	0	113	P230 F231 L237 L238	P230-G234 PolarHBondContact O-N 3.1Å; F231-G234 PolarHBondContact O-N 2.95Å; G234-L237 PolarHBondContact O-N 3.13Å; G234-L238 PolarHBondContact O-N 3.41Å; G234-L238 VanDerWaalsContact O-N 3.08Å
235	H	98.4	Very high	97	Very high	16 Å²	16	30 Å²	30	7%	0.074	15%	0.154	C	C	.	.	H	α-helix	trans	-63.7	-45.9	174.8	-168	84.8	0	0	0	112.4	F231 R232 V233 L237 L238 K239 Y303 P316 F318	F231-H235 WeakPolarHBondContact O-CB 3.24Å; F231-H235 PolarHBondContact O-N 3.33Å; R232-H235 WeakPolarHBondContact O-CB 3.37Å; R232-H235 PolarHBondContact O-N 2.93Å; V233-H235 VanDerWaalsContact C-N 3.27Å; V233-H235 PolarHBondContact O-N 2.93Å; H235-L237 PolarHBondContact O-N 2.89Å; H235-L238 PolarHBondContact O-N 3.33Å; H235-K239 WeakPolarHBondContact O-CG 3.35Å; H235-K239 PolarHBondContact O-N 3.5Å; H235-K239 VanDerWaalsContact O-N 3.11Å; H235-Y303 WeakPolarHBondContact CA-OH 3.41Å; H235-Y303 VanDerWaalsContact CB-OH 3.29Å; H235-Y303 WeakPolarHBondContact CB-OH 3.5Å; H235-Y303 AromaticContact ND1-CE2 3.84Å; H235-Y303 AromaticContact ND1-CZ 3.75Å; H235-Y303 PolarHBondContact ND1-OH 3.1Å; H235-P316 HydrophobicContact CB-CB 4.18Å; H235-P316 HydrophobicContact CB-CG 4.03Å; H235-F318 AromaticContact CE1-CD1 3.24Å; H235-F318 WeakPolarHBondContact CE1-CD1 3.22Å; H235-F318 AromaticContact CE1-CE1 3.18Å; H235-F318 WeakPolarHBondContact CE1-CE1 3.44Å; H235-F318 AromaticContact CE1-CG 3.84Å; H235-F318 AromaticContact CE1-CZ 3.72Å; H235-F318 AromaticContact ND1-CD1 3.95Å; H235-F318 AromaticContact ND1-CE1 3.5Å; H235-F318 AromaticContact ND1-CZ 3.57Å; H235-F318 AromaticContact NE2-CE1 3.9Å
236	N	98.6	Very high	97.4	Very high	13 Å²	13	24.3 Å²	24.3	7%	0.07	12%	0.122	C	C	.	.	H	α-helix	trans	-65.2	-38.3	176.1	-69.7	-21.9	0	0	0	112.2	W173 S174 R232 V233 L238 K239 A240	W173-N236 WeakPolarHBondContact O-CB 3.37Å; W173-N236 PolarHBondContact O-ND2 2.61Å; S174-N236 PolarHBondContact O-ND2 3.04Å; R232-N236 PolarHBondContact O-N 3.32Å; V233-N236 PolarHBondContact O-N 2.86Å; N236-L238 PolarHBondContact O-N 2.97Å; N236-K239 PolarHBondContact O-N 2.89Å; N236-A240 VanDerWaalsContact O-CB 3.3Å; N236-A240 WeakPolarHBondContact O-CB 3.45Å; N236-A240 PolarHBondContact O-N 2.75Å
237	L	98.8	Very high	97.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.6	-41.5	175.3	-71.7	168.1	0	0	0	112.1	W173 I203 P206 V209 A210 V233 G234 H235 A240 H241	W173-L237 HydrophobicContact CD2-CD2 3.47Å; W173-L237 VanDerWaalsContact CD2-CD2 3.47Å; W173-L237 HydrophobicContact CD2-CG 4.27Å; W173-L237 HydrophobicContact CE3-CD2 3.7Å; W173-L237 HydrophobicContact CE3-CG 4.34Å; W173-L237 HydrophobicContact CG-CD2 3.96Å; W173-L237 HydrophobicContact CG-CG 4.48Å; W173-L237 HydrophobicContact CH2-CD2 4.04Å; W173-L237 HydrophobicContact CZ2-CD2 3.83Å; W173-L237 HydrophobicContact CZ3-CD2 3.98Å; I203-L237 HydrophobicContact CD1-CB 4.21Å; I203-L237 HydrophobicContact CD1-CD2 3.83Å; I203-L237 WeakPolarHBondContact CD1-O 3.14Å; I203-L237 HydrophobicContact CG2-CD2 4.48Å; P206-L237 HydrophobicContact CB-CD1 4.03Å; V209-L237 HydrophobicContact CB-CD1 4.14Å; V209-L237 HydrophobicContact CG1-CD1 3.97Å; A210-L237 HydrophobicContact CB-CD1 4.38Å; V233-L237 HydrophobicContact CG1-CD1 3.92Å; V233-L237 HydrophobicContact CG1-CG 4.42Å; V233-L237 WeakPolarHBondContact O-CG 2.93Å; V233-L237 PolarHBondContact O-N 3.32Å; G234-L237 PolarHBondContact O-N 3.13Å; H235-L237 PolarHBondContact O-N 2.89Å; L237-A240 PolarHBondContact O-N 3.12Å; L237-H241 PolarHBondContact O-N 3.46Å
238	L	98.7	Very high	98.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.4	-45.7	174.8	-79.8	167.2	0	0	0	111.6	G234 H235 N236 H241 A242 F293 P296 L297 Y303 F318 V326	G234-L238 PolarHBondContact O-N 3.41Å; G234-L238 VanDerWaalsContact O-N 3.08Å; H235-L238 PolarHBondContact O-N 3.33Å; N236-L238 PolarHBondContact O-N 2.97Å; L238-H241 PolarHBondContact O-N 3.25Å; L238-A242 WeakPolarHBondContact O-CB 3.23Å; L238-A242 PolarHBondContact O-N 3.45Å; L238-F293 HydrophobicContact CD1-CD1 4.15Å; L238-F293 HydrophobicContact CD2-CB 4.42Å; L238-F293 HydrophobicContact CD2-CD1 3.87Å; L238-F293 HydrophobicContact CG-CD1 3.77Å; L238-F293 HydrophobicContact CG-CE1 4.22Å; L238-P296 HydrophobicContact CD1-CB 4.3Å; L238-P296 HydrophobicContact CD1-CG 4.02Å; L238-P296 HydrophobicContact CD2-CB 4.26Å; L238-L297 HydrophobicContact CD2-CD2 4.2Å; L238-L297 HydrophobicContact CD2-CG 4.25Å; L238-Y303 HydrophobicContact CD1-CE1 3.64Å; L238-F318 HydrophobicContact CB-CZ 4.31Å; L238-F318 HydrophobicContact CD1-CE2 4.37Å; L238-F318 HydrophobicContact CD1-CZ 3.91Å; L238-V326 HydrophobicContact CD2-CG1 4.39Å
239	K	98.6	Very high	98.3	Very high	59 Å²	59	19 Å²	19	26%	0.257	9%	0.089	S	C	.	.	H	α-helix	trans	-63.9	-42.6	177.5	-69.7	174.9	62.5	162.4	0	112.1	V179 H235 N236 H241 A242 A243 F318 E322	V179-K239 HydrophobicContact CG1-CB 4.33Å; V179-K239 HydrophobicContact CG2-CB 3.78Å; H235-K239 WeakPolarHBondContact O-CG 3.35Å; H235-K239 PolarHBondContact O-N 3.5Å; H235-K239 VanDerWaalsContact O-N 3.11Å; N236-K239 PolarHBondContact O-N 2.89Å; K239-H241 PolarHBondContact O-N 3.02Å; K239-A242 PolarHBondContact O-N 2.82Å; K239-A243 WeakPolarHBondContact O-CB 3.34Å; K239-A243 PolarHBondContact O-N 3.32Å; K239-F318 HydrophobicContact CG-CE1 4.43Å; K239-E322 WeakPolarHBondContact CE-OE1 3.31Å; K239-E322 IonicContact NZ-OE1 2.7Å; K239-E322 PolarHBondContact NZ-OE1 3.21Å
240	A	98.8	Very high	98.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.1	-41.8	177.3	0	0	0	0	0	112.2	W173 V179 F182 N236 L237 A244	W173-A240 HydrophobicContact CH2-CB 4.21Å; W173-A240 HydrophobicContact CZ3-CB 3.75Å; V179-A240 HydrophobicContact CG2-CB 4.33Å; F182-A240 HydrophobicContact CB-CB 4.33Å; F182-A240 HydrophobicContact CD1-CB 3.87Å; F182-A240 HydrophobicContact CG-CB 4.39Å; N236-A240 VanDerWaalsContact O-CB 3.3Å; N236-A240 WeakPolarHBondContact O-CB 3.45Å; N236-A240 PolarHBondContact O-N 2.75Å; L237-A240 PolarHBondContact O-N 3.12Å; A240-A244 PolarHBondContact O-N 3.16Å
241	H	98.9	Very high	98.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.3	-47.9	173	164.7	79.6	0	0	0	112.9	T202 I203 L237 L238 K239 A243 A244 W245 M262 L297 T329	T202-H241 PolarHBondContact OG1-ND1 2.76Å; I203-H241 HydrophobicContact CD1-CB 4.3Å; L237-H241 PolarHBondContact O-N 3.46Å; L238-H241 PolarHBondContact O-N 3.25Å; K239-H241 PolarHBondContact O-N 3.02Å; H241-A243 VanDerWaalsContact C-N 3.28Å; H241-A243 PolarHBondContact O-N 2.89Å; H241-A244 PolarHBondContact O-N 2.65Å; H241-A244 VanDerWaalsContact O-N 3.16Å; H241-W245 PolarHBondContact O-N 3.36Å; H241-M262 HydrophobicContact CB-CE 3.08Å; H241-L297 WeakPolarHBondContact CD2-CD2 3.49Å; H241-L297 WeakPolarHBondContact NE2-CD2 3.44Å; H241-T329 PolarHBondContact CE1-O 2.57Å; H241-T329 VanDerWaalsContact CE1-O 3.3Å; H241-T329 PolarHBondContact NE2-O 2.87Å
242	A	98.8	Very high	98.5	Very high	4 Å²	4	31.6 Å²	31.6	3%	0.033	14%	0.14	C	C	.	.	H	α-helix	trans	-58.1	-43.9	178.6	0	0	0	0	0	111	L238 K239 A244 W245 H246 V326 T329	L238-A242 WeakPolarHBondContact O-CB 3.23Å; L238-A242 PolarHBondContact O-N 3.45Å; K239-A242 PolarHBondContact O-N 2.82Å; A242-A244 PolarHBondContact O-N 2.9Å; A242-W245 PolarHBondContact O-N 2.81Å; A242-H246 PolarHBondContact O-CD2 2.76Å; A242-H246 PolarHBondContact O-N 3.45Å; A242-V326 HydrophobicContact CB-CB 4.42Å; A242-V326 HydrophobicContact CB-CG2 3.93Å; A242-T329 HydrophobicContact CB-CG2 4.08Å
243	A	98.8	Very high	98.6	Very high	19 Å²	19	28.5 Å²	28.5	16%	0.157	13%	0.128	C	C	.	.	H	α-helix	trans	-58.3	-46.1	175.5	0	0	0	0	0	112.4	V179 K183 K239 H241 L247	V179-A243 HydrophobicContact CG1-CB 3.98Å; K183-A243 HydrophobicContact CB-CB 4.35Å; K183-A243 HydrophobicContact CD-CB 4.22Å; K239-A243 WeakPolarHBondContact O-CB 3.34Å; K239-A243 PolarHBondContact O-N 3.32Å; H241-A243 VanDerWaalsContact C-N 3.28Å; H241-A243 PolarHBondContact O-N 2.89Å; A243-L247 VanDerWaalsContact O-CB 3.29Å; A243-L247 WeakPolarHBondContact O-CB 3.33Å; A243-L247 PolarHBondContact O-N 3.06Å
244	A	98.8	Very high	98.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66.7	-38.4	176.3	0	0	0	0	0	112.9	F182 T202 A240 H241 A242 L247 Y248	F182-A244 HydrophobicContact CD1-CB 4.49Å; F182-A244 HydrophobicContact CE1-CB 4.13Å; T202-A244 HydrophobicContact CG2-CB 3.95Å; A240-A244 PolarHBondContact O-N 3.16Å; H241-A244 PolarHBondContact O-N 2.65Å; H241-A244 VanDerWaalsContact O-N 3.16Å; A242-A244 PolarHBondContact O-N 2.9Å; A244-L247 PolarHBondContact O-N 3.5Å; A244-Y248 WeakPolarHBondContact O-CB 3.46Å; A244-Y248 PolarHBondContact O-N 2.88Å
245	W	98.8	Very high	98.5	Very high	30 Å²	30	42 Å²	42	11%	0.114	19%	0.192	C	C	.	.	H	α-helix	trans	-64.8	-46.5	176	-176.4	98.3	0	0	0	111.3	H241 A242 L247 Y248 N249 L260 T329 D331	H241-W245 PolarHBondContact O-N 3.36Å; A242-W245 PolarHBondContact O-N 2.81Å; W245-L247 VanDerWaalsContact C-N 3.33Å; W245-L247 PolarHBondContact O-N 2.91Å; W245-Y248 PolarHBondContact O-N 2.9Å; W245-N249 HydrophobicContact CD2-CB 4.37Å; W245-N249 HydrophobicContact CE3-CB 4.05Å; W245-N249 HydrophobicContact CH2-CB 4.09Å; W245-N249 HydrophobicContact CZ2-CB 4.4Å; W245-N249 HydrophobicContact CZ3-CB 3.9Å; W245-N249 VanDerWaalsContact O-CB 3.24Å; W245-N249 WeakPolarHBondContact O-CB 3.39Å; W245-N249 PolarHBondContact O-N 3.06Å; W245-L260 HydrophobicContact CB-CD2 3.81Å; W245-L260 HydrophobicContact CG-CD2 4.04Å; W245-T329 HydrophobicContact CB-CG2 4.29Å; W245-T329 HydrophobicContact CD2-CG2 4.02Å; W245-T329 HydrophobicContact CE3-CG2 3.76Å; W245-T329 HydrophobicContact CG-CG2 4.26Å; W245-T329 VanDerWaalsContact CG-O 3.28Å; W245-T329 HydrophobicContact CZ3-CG2 4.42Å; W245-T329 PolarHBondContact NE1-O 3.1Å; W245-D331 PolarHBondContact NE1-OD1 3.01Å
246	H	98.7	Very high	98.5	Very high	30 Å²	30	41.6 Å²	41.6	14%	0.139	19%	0.19	C	C	.	.	H	α-helix	trans	-63.6	-40.4	178.2	-82.5	-67.5	0	0	0	111.8	A242 N249 R250 Q325	A242-H246 PolarHBondContact O-CD2 2.76Å; A242-H246 PolarHBondContact O-N 3.45Å; H246-N249 PolarHBondContact O-N 2.62Å; H246-R250 PolarHBondContact ND1-NH2 3.08Å; H246-R250 WeakPolarHBondContact O-CB 3.5Å; H246-R250 VanDerWaalsContact O-CG 3.25Å; H246-R250 WeakPolarHBondContact O-CG 3.46Å; H246-R250 PolarHBondContact O-N 2.88Å; H246-Q325 PolarHBondContact CD2-O 3.36Å; H246-Q325 PolarHBondContact NE2-O 3.27Å
247	L	98.7	Very high	98.5	Very high	20 Å²	20	48.4 Å²	48.4	11%	0.105	22%	0.221	C	C	.	.	H	α-helix	trans	-57.4	-52.1	172.2	173.7	75.3	0	0	0	111	K183 D187 F190 A243 A244 W245 N249 R250 H251 Y252	K183-L247 HydrophobicContact CG-CD2 4.05Å; K183-L247 WeakPolarHBondContact O-CD2 3.38Å; D187-L247 HydrophobicContact CB-CD1 4.42Å; D187-L247 HydrophobicContact CB-CD2 3.58Å; F190-L247 HydrophobicContact CD2-CD2 4.1Å; F190-L247 HydrophobicContact CE2-CD2 4.13Å; A243-L247 VanDerWaalsContact O-CB 3.29Å; A243-L247 WeakPolarHBondContact O-CB 3.33Å; A243-L247 PolarHBondContact O-N 3.06Å; A244-L247 PolarHBondContact O-N 3.5Å; W245-L247 VanDerWaalsContact C-N 3.33Å; W245-L247 PolarHBondContact O-N 2.91Å; L247-N249 PolarHBondContact O-N 3.22Å; L247-R250 PolarHBondContact O-N 2.83Å; L247-H251 WeakPolarHBondContact O-CB 3.24Å; L247-H251 PolarHBondContact O-N 3.25Å; L247-Y252 HydrophobicContact CD1-CE2 4.47Å; L247-Y252 HydrophobicContact CG-CE2 4.29Å
248	Y	98.8	Very high	98.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	22%	0.223	C	C	.	.	I	π-helix	trans	-58.8	-47.9	177.7	-171	-98.2	0	0	0	111.5	F190 W200 A244 W245 R250 Y252 R253 G258 L260	F190-Y248 HydrophobicContact CB-CD2 4.32Å; F190-Y248 AromaticContact CD1-CD2 3.67Å; F190-Y248 HydrophobicContact CD1-CD2 3.67Å; F190-Y248 HydrophobicContact CD1-CE2 4.1Å; F190-Y248 AromaticContact CD2-CD2 3.85Å; F190-Y248 HydrophobicContact CD2-CD2 3.85Å; F190-Y248 AromaticContact CE1-CD2 3.86Å; F190-Y248 HydrophobicContact CE1-CD2 3.86Å; F190-Y248 HydrophobicContact CE1-CE2 4.49Å; F190-Y248 HydrophobicContact CE2-CD2 4.03Å; F190-Y248 HydrophobicContact CE2-CG 4.39Å; F190-Y248 AromaticContact CG-CD2 3.69Å; F190-Y248 HydrophobicContact CG-CD2 3.69Å; F190-Y248 HydrophobicContact CG-CE2 4.31Å; F190-Y248 HydrophobicContact CZ-CD2 4.04Å; F190-Y248 HydrophobicContact CZ-CG 4.43Å; W200-Y248 AromaticContact CD1-CE2 3.83Å; W200-Y248 AromaticContact CD1-CZ 3.97Å; W200-Y248 AromaticContact NE1-CE2 3.75Å; A244-Y248 WeakPolarHBondContact O-CB 3.46Å; A244-Y248 PolarHBondContact O-N 2.88Å; W245-Y248 PolarHBondContact O-N 2.9Å; Y248-R250 PolarHBondContact O-N 3.37Å; Y248-Y252 HydrophobicContact CD2-CG 4.35Å; Y248-Y252 CarbonylContact O-C 3.38Å; Y248-Y252 WeakPolarHBondContact O-CA 3.47Å; Y248-Y252 WeakPolarHBondContact O-CB 3.42Å; Y248-Y252 PolarHBondContact O-N 3.34Å; Y248-R253 HydrophobicContact CD1-CB 4.14Å; Y248-R253 HydrophobicContact CE1-CB 3.97Å; Y248-R253 HydrophobicContact CE1-CG 4.27Å; Y248-R253 PolarHBondContact O-N 3.28Å; Y248-G258 WeakPolarHBondContact OH-CA 3.32Å; Y248-G258 PolarHBondContact OH-N 3.39Å; Y248-G258 VanDerWaalsContact OH-N 3.09Å; Y248-L260 HydrophobicContact CD1-CB 4.31Å; Y248-L260 HydrophobicContact CG-CD1 4.1Å
249	N	98.6	Very high	98.4	Very high	56 Å²	56	52.6 Å²	52.6	30%	0.299	24%	0.24	S	C	.	.	I	π-helix	trans	-60.9	-43.4	-176.7	-172	53.2	0	0	0	112.6	W245 H246 L247 R253	W245-N249 HydrophobicContact CD2-CB 4.37Å; W245-N249 HydrophobicContact CE3-CB 4.05Å; W245-N249 HydrophobicContact CH2-CB 4.09Å; W245-N249 HydrophobicContact CZ2-CB 4.4Å; W245-N249 HydrophobicContact CZ3-CB 3.9Å; W245-N249 VanDerWaalsContact O-CB 3.24Å; W245-N249 WeakPolarHBondContact O-CB 3.39Å; W245-N249 PolarHBondContact O-N 3.06Å; H246-N249 PolarHBondContact O-N 2.62Å; L247-N249 PolarHBondContact O-N 3.22Å; N249-R253 WeakPolarHBondContact OD1-CD 3.44Å; N249-R253 PolarHBondContact OD1-NE 2.8Å
250	R	98.3	Very high	98.4	Very high	150 Å²	150	49.8 Å²	49.8	57%	0.566	23%	0.228	S	C	*	.	I	π-helix	trans	-79	-41.5	-176.5	-66.2	175.6	-151.8	-178.4	7.3	112.8	H246 L247 Y248	H246-R250 PolarHBondContact ND1-NH2 3.08Å; H246-R250 WeakPolarHBondContact O-CB 3.5Å; H246-R250 VanDerWaalsContact O-CG 3.25Å; H246-R250 WeakPolarHBondContact O-CG 3.46Å; H246-R250 PolarHBondContact O-N 2.88Å; L247-R250 PolarHBondContact O-N 2.83Å; Y248-R250 PolarHBondContact O-N 3.37Å
251	H	98.3	Very high	98.4	Very high	128 Å²	128	49.8 Å²	49.8	59%	0.593	23%	0.228	S	C	*	.	I	π-helix	trans	-105.4	-28.2	-167.1	-63.5	-75.9	0	0	0	114.3	L247	L247-H251 WeakPolarHBondContact O-CB 3.24Å; L247-H251 PolarHBondContact O-N 3.25Å
252	Y	98.6	Very high	98.4	Very high	29 Å²	29	49.8 Å²	49.8	11%	0.114	23%	0.228	C	C	.	.	I	π-helix	trans	-115.2	-42	-168.5	-66.6	-77.6	0	0	0	113.2	D187 F190 H191 L247 Y248 P254 R255 Q256	D187-Y252 PolarHBondContact O-OH 2.96Å; D187-Y252 VanDerWaalsContact OD1-CE2 3.27Å; D187-Y252 WeakPolarHBondContact OD1-CE2 3.44Å; D187-Y252 VanDerWaalsContact OD1-CZ 3.3Å; D187-Y252 PolarHBondContact OD1-OH 3.09Å; F190-Y252 HydrophobicContact CB-CD1 3.87Å; F190-Y252 HydrophobicContact CB-CD2 3.76Å; F190-Y252 HydrophobicContact CB-CE1 3.91Å; F190-Y252 HydrophobicContact CB-CE2 3.8Å; F190-Y252 HydrophobicContact CB-CG 3.79Å; F190-Y252 AromaticContact CD2-CD2 3.95Å; F190-Y252 HydrophobicContact CD2-CD2 3.95Å; F190-Y252 HydrophobicContact CD2-CE2 4.1Å; F190-Y252 HydrophobicContact CG-CD2 4.26Å; F190-Y252 HydrophobicContact CG-CE2 4.46Å; H191-Y252 HydrophobicContact CB-CE1 4.11Å; L247-Y252 HydrophobicContact CD1-CE2 4.47Å; L247-Y252 HydrophobicContact CG-CE2 4.29Å; Y248-Y252 HydrophobicContact CD2-CG 4.35Å; Y248-Y252 CarbonylContact O-C 3.38Å; Y248-Y252 WeakPolarHBondContact O-CA 3.47Å; Y248-Y252 WeakPolarHBondContact O-CB 3.42Å; Y248-Y252 PolarHBondContact O-N 3.34Å; Y252-P254 VanDerWaalsContact C-CD 3.45Å; Y252-R255 PolarHBondContact O-N 2.83Å; Y252-R255 VanDerWaalsContact O-N 3.12Å; Y252-Q256 WeakPolarHBondContact O-CB 3.25Å; Y252-Q256 PolarHBondContact O-N 2.71Å
253	R	98.2	Very high	98.4	Very high	45 Å²	45	49.6 Å²	49.6	17%	0.17	23%	0.227	C	C	.	.	H	α-helix	trans	-53.8	-41.4	-176.6	-167.5	-172.5	-57.6	-79.5	12.2	114.1	Y248 N249 R255 Q257 G258 D331	Y248-R253 HydrophobicContact CD1-CB 4.14Å; Y248-R253 HydrophobicContact CE1-CB 3.97Å; Y248-R253 HydrophobicContact CE1-CG 4.27Å; Y248-R253 PolarHBondContact O-N 3.28Å; N249-R253 WeakPolarHBondContact OD1-CD 3.44Å; N249-R253 PolarHBondContact OD1-NE 2.8Å; R253-R255 VanDerWaalsContact C-N 3.27Å; R253-R255 PolarHBondContact O-N 3.1Å; R253-Q257 WeakPolarHBondContact O-CA 3.42Å; R253-Q257 PolarHBondContact O-N 3.42Å; R253-G258 PolarHBondContact NH1-O 2.93Å; R253-D331 IonicContact CZ-OD1 3.89Å; R253-D331 IonicContact CZ-OD2 2.74Å; R253-D331 IonicContact NH1-OD1 2.77Å; R253-D331 IonicContact NH1-OD2 3.72Å; R253-D331 PolarHBondContact NH1-OD2 3.38Å; R253-D331 VanDerWaalsContact NH2-CG 3.29Å; R253-D331 IonicContact NH2-OD1 2.89Å; R253-D331 PolarHBondContact NH2-OD1 2.78Å; R253-D331 IonicContact NH2-OD2 2.78Å; R253-D331 PolarHBondContact NH2-OD2 2.75Å
254	P	97.8	Very high	98.4	Very high	99 Å²	99	48.9 Å²	48.9	64%	0.643	22%	0.22	S	C	*	.	H	α-helix	trans	-59.5	-34.5	179.3	-26.1	36.1	0	0	0	114.1	Y252	Y252-P254 VanDerWaalsContact C-CD 3.45Å
255	R	97.6	Very high	98.3	Very high	185 Å²	185	49.1 Å²	49.1	70%	0.698	22%	0.222	S	C	*	.	H	α-helix	trans	-91.6	-47.3	179.1	176.1	-172.8	157.2	108.6	-4.5	112	D195 Y252 R253	D195-R255 IonicContact OD1-CZ 3.36Å; D195-R255 IonicContact OD1-NE 3.1Å; D195-R255 PolarHBondContact OD1-NE 3.11Å; D195-R255 VanDerWaalsContact OD1-NE 3.13Å; D195-R255 IonicContact OD1-NH2 2.81Å; D195-R255 PolarHBondContact OD1-NH2 3.41Å; D195-R255 IonicContact OD2-CZ 3.42Å; D195-R255 IonicContact OD2-NH2 3.42Å; D195-R255 PolarHBondContact OD2-NH2 3.25Å; Y252-R255 PolarHBondContact O-N 2.83Å; Y252-R255 VanDerWaalsContact O-N 3.12Å; R253-R255 VanDerWaalsContact C-N 3.27Å; R253-R255 PolarHBondContact O-N 3.1Å
256	Q	98	Very high	98.1	Very high	6 Å²	6	47.7 Å²	47.7	3%	0.028	22%	0.217	C	C	.	.	H	α-helix	trans	-86.1	-24.1	-169.2	-65.5	-178.6	-8.5	0	0	112.9	F190 G194 K198 Y252 G258	F190-Q256 PolarHBondContact O-NE2 3.01Å; G194-Q256 VanDerWaalsContact C-NE2 3.33Å; G194-Q256 VanDerWaalsContact CA-CD 3.46Å; G194-Q256 VanDerWaalsContact O-CD 3.31Å; G194-Q256 WeakPolarHBondContact O-CG 3.35Å; G194-Q256 PolarHBondContact O-OE1 2.86Å; K198-Q256 WeakPolarHBondContact CD-O 3.33Å; K198-Q256 WeakPolarHBondContact CE-O 3.26Å; K198-Q256 PolarHBondContact NZ-O 3.36Å; Y252-Q256 WeakPolarHBondContact O-CB 3.25Å; Y252-Q256 PolarHBondContact O-N 2.71Å; Q256-G258 PolarHBondContact O-N 3.38Å; Q256-G258 VanDerWaalsContact O-N 3.11Å
257	Q	97.6	Very high	97.9	Very high	156 Å²	156	46.3 Å²	46.3	73%	0.729	21%	0.21	S	C	*	.			trans	55	27.1	176.9	-54.9	-178.8	-5	0	0	114.4	R253	R253-Q257 WeakPolarHBondContact O-CA 3.42Å; R253-Q257 PolarHBondContact O-N 3.42Å
258	G	97.9	Very high	97.8	Very high	3 Å²	3	45.3 Å²	45.3	3%	0.031	21%	0.205	C	C	.	.			trans	-85	175.6	174.5	0	0	0	0	0	113.1	K198 Y248 R253 Q256	K198-G258 CarbonylContact O-C 3.48Å; K198-G258 WeakPolarHBondContact O-CA 3.38Å; Y248-G258 WeakPolarHBondContact OH-CA 3.32Å; Y248-G258 PolarHBondContact OH-N 3.39Å; Y248-G258 VanDerWaalsContact OH-N 3.09Å; R253-G258 PolarHBondContact NH1-O 2.93Å; Q256-G258 PolarHBondContact O-N 3.38Å; Q256-G258 VanDerWaalsContact O-N 3.11Å
259	K	98.6	Very high	97.6	Very high	86 Å²	86	45.3 Å²	45.3	37%	0.374	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	146.3	175.6	-65.5	-176.7	-178.2	179.1	0	110.2	K198 Y199 W200 D331 F332	K198-K259 PolarHBondContact O-N 3.44Å; Y199-K259 CarbonylContact C-O 3.47Å; Y199-K259 WeakPolarHBondContact CA-O 3.4Å; Y199-K259 HydrophobicContact CD1-CB 4.27Å; Y199-K259 HydrophobicContact CE1-CB 4.36Å; Y199-K259 HydrophobicContact CE1-CD 4.1Å; W200-K259 PolarHBondContact N-O 2.84Å; K259-D331 WeakPolarHBondContact CA-OD2 3.14Å; K259-D331 HydrophobicContact CB-CB 3.97Å; K259-D331 HydrophobicContact CD-CB 4.49Å; K259-D331 HydrophobicContact CG-CB 4.18Å; K259-F332 HydrophobicContact CB-CD1 3.96Å; K259-F332 HydrophobicContact CB-CE1 3.88Å; K259-F332 HydrophobicContact CD-CD1 4.4Å
260	L	98.8	Very high	97.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	138.3	-177.9	-172.8	150.4	0	0	0	110.5	F190 W200 T202 W245 Y248 D331	F190-L260 HydrophobicContact CE1-CD1 3.9Å; F190-L260 HydrophobicContact CE2-CD1 4.37Å; F190-L260 HydrophobicContact CZ-CD1 3.44Å; F190-L260 VanDerWaalsContact CZ-CD1 3.44Å; W200-L260 HydrophobicContact CB-CB 4.08Å; W200-L260 HydrophobicContact CB-CD1 4.01Å; W200-L260 HydrophobicContact CB-CG 3.93Å; W200-L260 CarbonylContact O-C 3.53Å; W200-L260 WeakPolarHBondContact O-CA 3.42Å; T202-L260 HydrophobicContact CG2-CD1 4Å; T202-L260 HydrophobicContact CG2-CD2 3.71Å; T202-L260 HydrophobicContact CG2-CG 4.1Å; W245-L260 HydrophobicContact CB-CD2 3.81Å; W245-L260 HydrophobicContact CG-CD2 4.04Å; Y248-L260 HydrophobicContact CD1-CB 4.31Å; Y248-L260 HydrophobicContact CG-CD1 4.1Å; L260-D331 PolarHBondContact N-OD2 3.43Å; L260-D331 PolarHBondContact O-N 3.33Å
261	S	98.8	Very high	97.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	-176.9	176	-169.8	0	0	0	0	111.4	W200 I201 T202 F332	W200-S261 PolarHBondContact O-N 2.97Å; I201-S261 WeakPolarHBondContact CA-O 3.28Å; T202-S261 PolarHBondContact N-O 3.04Å; S261-F332 VanDerWaalsContact CB-O 3.31Å; S261-F332 WeakPolarHBondContact CB-O 3.27Å; S261-F332 PolarHBondContact OG-O 3.48Å
262	M	98.7	Very high	96.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	133.3	170.2	-177.7	-175.7	-69.1	0	0	108.7	I203 P206 H241 L264 L297 A334	I203-M262 HydrophobicContact CB-CE 4.41Å; I203-M262 HydrophobicContact CB-CG 4.27Å; I203-M262 HydrophobicContact CD1-CE 4.09Å; I203-M262 WeakPolarHBondContact O-CG 3.42Å; P206-M262 HydrophobicContact CB-SD 4.22Å; P206-M262 HydrophobicContact CG-CG 4.48Å; P206-M262 HydrophobicContact CG-SD 3.59Å; P206-M262 VanDerWaalsContact CG-SD 3.59Å; H241-M262 HydrophobicContact CB-CE 3.08Å; M262-L264 HydrophobicContact CB-CD2 4.24Å; M262-L264 HydrophobicContact CG-CD2 3.76Å; M262-L264 PolarHBondContact O-N 3.32Å; M262-L264 HydrophobicContact SD-CD2 3.62Å; M262-L297 HydrophobicContact CB-CD1 4.23Å; M262-L297 HydrophobicContact SD-CD1 4.26Å; M262-A334 WeakPolarHBondContact O-CB 3.33Å
263	A	98.5	Very high	96.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	113.7	179.8	0	0	0	0	0	110.3	I201 I203 N205 P206 A334 V379	I201-A263 HydrophobicContact CG2-CB 3.67Å; I203-A263 PolarHBondContact O-N 2.76Å; I203-A263 VanDerWaalsContact O-N 3.09Å; N205-A263 WeakPolarHBondContact CA-O 3.34Å; N205-A263 PolarHBondContact N-O 2.67Å; P206-A263 WeakPolarHBondContact CD-O 3.23Å; A263-A334 WeakPolarHBondContact CA-O 3.37Å; A263-A334 HydrophobicContact CB-CB 4.4Å; A263-V379 HydrophobicContact CB-CG2 3.67Å
264	L	98.5	Very high	95.2	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.016	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	119.9	-174.7	-53.5	-178.3	0	0	0	109.7	P206 M262 L290 F293 A294 L297 F298 F333 A334 S336	P206-L264 HydrophobicContact CG-CD2 4.11Å; M262-L264 HydrophobicContact CB-CD2 4.24Å; M262-L264 HydrophobicContact CG-CD2 3.76Å; M262-L264 PolarHBondContact O-N 3.32Å; M262-L264 HydrophobicContact SD-CD2 3.62Å; L264-L290 HydrophobicContact CB-CD1 3.54Å; L264-L290 HydrophobicContact CD1-CD1 4.27Å; L264-F293 HydrophobicContact CD2-CB 3.67Å; L264-A294 HydrophobicContact CD1-CB 3.6Å; L264-L297 HydrophobicContact CD1-CD1 4.26Å; L264-L297 HydrophobicContact CD2-CD1 4.46Å; L264-F298 HydrophobicContact CD1-CE2 4.27Å; L264-F333 HydrophobicContact CD1-CE2 4.37Å; L264-F333 HydrophobicContact CD1-CZ 4.07Å; L264-A334 PolarHBondContact N-O 3.35Å; L264-S336 PolarHBondContact O-N 2.76Å
265	A	95.6	Very high	94.7	Very high	5 Å²	5	55.7 Å²	55.7	4%	0.041	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	145.8	179.7	0	0	0	0	0	111.8	N205 S336 L341	N205-A265 HydrophobicContact CB-CB 4.09Å; N205-A265 WeakPolarHBondContact ND2-CB 3.41Å; N205-A265 WeakPolarHBondContact OD1-CB 3.45Å; A265-S336 VanDerWaalsContact CA-O 3.22Å; A265-S336 WeakPolarHBondContact CA-O 3.39Å; A265-L341 HydrophobicContact CB-CD1 3.37Å; A265-L341 HydrophobicContact CB-CG 3.97Å
266	S	95.7	Very high	94.3	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.007	23%	0.234	C	C	.	.			trans	-150.2	147	176.1	-164.8	0	0	0	0	113.2	S336 H337	S266-S336 PolarHBondContact N-O 2.82Å; S266-H337 PolarHBondContact O-ND1 3.09Å; S266-H337 VanDerWaalsContact O-ND1 3.11Å
267	H	95.3	Very high	93.9	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	26%	0.262	C	S	.	.			trans	-82.5	172.8	162	64.2	-65.8	0	0	0	110.9	S285 L286 V289 I346 E356	H267-S285 PolarHBondContact NE2-OG 2.66Å; H267-L286 WeakPolarHBondContact O-CD2 3.23Å; H267-V289 VanDerWaalsContact CE1-CG2 3.49Å; H267-V289 WeakPolarHBondContact CE1-CG2 3.41Å; H267-I346 HydrophobicContact CB-CG1 4Å; H267-E356 HydrophobicContact CB-CG 4.5Å
268	W	96.3	Very high	93.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	146.6	164.8	-177.1	-110.9	0	0	0	110.2	T26 W27 L286 D357 D359 M362 L363 W366	T26-W268 HydrophobicContact CG2-CH2 3.85Å; T26-W268 HydrophobicContact CG2-CZ2 4.29Å; W27-W268 AromaticContact CE2-CH2 3.87Å; W27-W268 AromaticContact CE2-CZ2 3.82Å; W27-W268 AromaticContact CZ2-CH2 3.79Å; W27-W268 HydrophobicContact CZ2-CH2 3.79Å; W27-W268 HydrophobicContact CZ2-CZ2 4.11Å; W27-W268 HydrophobicContact CZ2-CZ3 4.36Å; W27-W268 AromaticContact NE1-CH2 3.96Å; W27-W268 AromaticContact NE1-CZ2 3.41Å; W268-L286 HydrophobicContact CE3-CD1 4.09Å; W268-L286 HydrophobicContact CE3-CD2 4.35Å; W268-L286 HydrophobicContact CH2-CD1 4.34Å; W268-L286 HydrophobicContact CZ3-CD1 3.6Å; W268-D357 PolarHBondContact O-N 2.59Å; W268-D359 HydrophobicContact CG-CB 4.31Å; W268-M362 HydrophobicContact CD2-CB 4.15Å; W268-M362 HydrophobicContact CH2-CB 3.97Å; W268-M362 HydrophobicContact CZ2-CB 3.43Å; W268-M362 VanDerWaalsContact CZ2-CB 3.43Å; W268-M362 HydrophobicContact CZ2-CE 3.54Å; W268-M362 HydrophobicContact CZ2-CG 4.27Å; W268-M362 HydrophobicContact CZ2-SD 4.02Å; W268-L363 HydrophobicContact CD2-CB 4.4Å; W268-L363 HydrophobicContact CE3-CB 3.79Å; W268-L363 HydrophobicContact CE3-CD1 4.02Å; W268-L363 HydrophobicContact CE3-CG 4.49Å; W268-L363 HydrophobicContact CZ3-CB 4.4Å; W268-L363 HydrophobicContact CZ3-CD1 4.42Å; W268-W366 HydrophobicContact CH2-CB 4.07Å; W268-W366 HydrophobicContact CH2-CG 4.42Å; W268-W366 HydrophobicContact CZ3-CB 3.74Å; W268-W366 HydrophobicContact CZ3-CG 4.05Å
269	I	95	Very high	93.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	135	-175.8	-162.7	84.5	0	0	0	110.4	W27 C282 L286 K351 Q354 L355	W27-I269 HydrophobicContact CZ2-CG2 4.12Å; W27-I269 PolarHBondContact NE1-O 2.8Å; I269-C282 HydrophobicContact CG2-CB 3.64Å; I269-C282 WeakPolarHBondContact CG2-O 3.49Å; I269-L286 HydrophobicContact CG2-CD2 4.26Å; I269-L286 HydrophobicContact CG2-CG 4.1Å; I269-K351 HydrophobicContact CD1-CB 4.15Å; I269-K351 HydrophobicContact CD1-CG 4.24Å; I269-Q354 HydrophobicContact CD1-CB 3.85Å; I269-Q354 HydrophobicContact CG1-CB 3.51Å; I269-Q354 HydrophobicContact CG1-CG 4.48Å; I269-L355 CarbonylContact C-O 3.59Å; I269-L355 WeakPolarHBondContact CA-O 3.5Å; I269-L355 VanDerWaalsContact CD1-C 3.47Å; I269-L355 VanDerWaalsContact CD1-O 3.32Å; I269-L355 WeakPolarHBondContact CD1-O 3.46Å
270	K	93.4	Very high	93.1	Very high	66 Å²	66	55 Å²	55	29%	0.287	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	141.2	173.8	-74.9	-173.6	179	164.7	0	110.5	R272 C282 L355 D357	K270-R272 PolarHBondContact O-N 3.29Å; K270-C282 VanDerWaalsContact C-SG 3.52Å; K270-L355 PolarHBondContact N-O 3.38Å; K270-L355 PolarHBondContact O-N 2.98Å; K270-D357 HydrophobicContact CD-CB 4.19Å; K270-D357 WeakPolarHBondContact CD-OD2 3.4Å; K270-D357 WeakPolarHBondContact CE-OD2 3.32Å; K270-D357 HydrophobicContact CG-CB 4.24Å; K270-D357 IonicContact NZ-OD2 2.71Å; K270-D357 PolarHBondContact NZ-OD2 3.1Å
271	P	93.3	Very high	92.9	Very high	33 Å²	33	57.7 Å²	57.7	21%	0.214	26%	0.259	C	S	.	.			trans	-71.3	135.7	-179.8	33.1	-38.6	0	0	0	109.4	R273 L279 C282	P271-R273 WeakPolarHBondContact CB-O 3.5Å; P271-R273 PolarHBondContact O-N 3.4Å; P271-L279 HydrophobicContact CB-CD2 3.96Å; P271-L279 HydrophobicContact CG-CD2 3.74Å; P271-C282 WeakPolarHBondContact CA-SG 3.46Å; P271-C282 VanDerWaalsContact N-SG 3.37Å
272	R	89.2	Confident	92.8	Very high	177 Å²	177	57.7 Å²	57.7	67%	0.668	26%	0.259	S	S	*	.	S	Bend	trans	-66.9	-26.5	176.4	-170.4	173.5	178.8	175.9	1.1	112	K270 L355	K270-R272 PolarHBondContact O-N 3.29Å; R272-L355 HydrophobicContact CB-CG 4.43Å
273	R	86.1	Confident	92.6	Very high	156 Å²	156	57.9 Å²	57.9	59%	0.589	26%	0.26	S	S	*	.	S	Bend	trans	-136.3	151.8	178.4	-61.4	179.2	177.8	171.7	-1.5	109.5	P271 R275 S278	P271-R273 WeakPolarHBondContact CB-O 3.5Å; P271-R273 PolarHBondContact O-N 3.4Å; R273-R275 PolarHBondContact O-N 3.48Å; R273-S278 VanDerWaalsContact O-CB 3.25Å; R273-S278 WeakPolarHBondContact O-CB 3.27Å
274	T	79.3	Confident	92.5	Very high	139 Å²	139	58 Å²	58	85%	0.853	26%	0.261	S	S	*	.	S	Bend	trans	-75.3	11.5	-179.9	51.5	0	0	0	0	114.8
275	R	87.5	Confident	92.4	Very high	154 Å²	154	57.9 Å²	57.9	58%	0.581	26%	0.261	S	S	*	.	S	Bend	trans	-80.1	151.8	-178.9	-62.9	-176.2	-176.9	-178.5	-1	111.1	R273 E277 S278 L279	R273-R275 PolarHBondContact O-N 3.48Å; R275-E277 PolarHBondContact O-N 3.16Å; R275-S278 PolarHBondContact O-N 2.84Å; R275-S278 VanDerWaalsContact O-N 3.16Å; R275-L279 PolarHBondContact O-N 3.49Å
276	L	88.3	Confident	92.4	Very high	94 Å²	94	57.6 Å²	57.6	49%	0.492	26%	0.259	S	S	.	.	H	α-helix	trans	-58.6	-33.7	-179.3	-175.3	61.7	0	0	0	113.1	L24 L279 R280	L24-L276 HydrophobicContact CD2-CD1 4.46Å; L276-L279 WeakPolarHBondContact O-CB 3.44Å; L276-L279 PolarHBondContact O-N 2.96Å; L276-R280 WeakPolarHBondContact O-CG 3.49Å; L276-R280 PolarHBondContact O-N 3.09Å
277	E	90.6	Very high	92.4	Very high	132 Å²	132	57.7 Å²	57.7	62%	0.617	26%	0.259	S	S	*	.	H	α-helix	trans	-58.7	-50.5	175.2	-68	167.3	178.4	0	0	111.9	R275 L279 R280 E281	R275-E277 PolarHBondContact O-N 3.16Å; E277-L279 VanDerWaalsContact C-N 3.25Å; E277-L279 PolarHBondContact O-N 3.03Å; E277-R280 WeakPolarHBondContact O-CB 3.45Å; E277-R280 PolarHBondContact O-N 3.31Å; E277-R280 VanDerWaalsContact O-N 3.09Å; E277-E281 PolarHBondContact O-N 3.18Å
278	S	92.5	Very high	92.4	Very high	14 Å²	14	58.5 Å²	58.5	10%	0.098	26%	0.263	C	S	.	.	H	α-helix	trans	-61.5	-35.2	177.3	-61	0	0	0	0	112.2	R273 R275 E281 C282	R273-S278 VanDerWaalsContact O-CB 3.25Å; R273-S278 WeakPolarHBondContact O-CB 3.27Å; R275-S278 PolarHBondContact O-N 2.84Å; R275-S278 VanDerWaalsContact O-N 3.16Å; S278-E281 PolarHBondContact O-N 3.43Å; S278-C282 PolarHBondContact O-N 3.21Å; S278-C282 PolarHBondContact O-SG 2.83Å; S278-C282 VanDerWaalsContact O-SG 3.34Å
279	L	92	Very high	92.5	Very high	29 Å²	29	58.6 Å²	58.6	15%	0.152	26%	0.263	C	S	.	.	H	α-helix	trans	-66.7	-40	174.2	-63.2	178.3	0	0	0	112.3	L24 W27 P271 R275 L276 E277 C282 Q283	L24-L279 HydrophobicContact CD1-CB 3.91Å; L24-L279 WeakPolarHBondContact CD1-O 3.28Å; W27-L279 HydrophobicContact CB-CD2 3.49Å; W27-L279 VanDerWaalsContact CB-CD2 3.49Å; W27-L279 HydrophobicContact CD2-CD2 4.06Å; W27-L279 HydrophobicContact CE3-CD2 4.27Å; W27-L279 HydrophobicContact CG-CD2 3.73Å; P271-L279 HydrophobicContact CB-CD2 3.96Å; P271-L279 HydrophobicContact CG-CD2 3.74Å; R275-L279 PolarHBondContact O-N 3.49Å; L276-L279 WeakPolarHBondContact O-CB 3.44Å; L276-L279 PolarHBondContact O-N 2.96Å; E277-L279 VanDerWaalsContact C-N 3.25Å; E277-L279 PolarHBondContact O-N 3.03Å; L279-C282 WeakPolarHBondContact O-CB 3.47Å; L279-C282 PolarHBondContact O-N 2.95Å; L279-Q283 PolarHBondContact O-N 2.95Å
280	R	92.8	Very high	92.6	Very high	153 Å²	153	58.6 Å²	58.6	58%	0.577	26%	0.263	S	S	*	.	H	α-helix	trans	-64.9	-39.5	174.9	-73.4	176.1	176.8	172.5	-1.8	111.7	L276 E277 Q283 C284	L276-R280 WeakPolarHBondContact O-CG 3.49Å; L276-R280 PolarHBondContact O-N 3.09Å; E277-R280 WeakPolarHBondContact O-CB 3.45Å; E277-R280 PolarHBondContact O-N 3.31Å; E277-R280 VanDerWaalsContact O-N 3.09Å; R280-Q283 PolarHBondContact O-N 3.22Å; R280-C284 WeakPolarHBondContact O-CB 3.43Å; R280-C284 PolarHBondContact O-N 3.09Å
281	E	94.8	Very high	92.7	Very high	55 Å²	55	55.5 Å²	55.5	26%	0.257	25%	0.25	S	C	.	.	H	α-helix	trans	-66.1	-39.7	174.1	-67	-49.5	140.1	0	0	112.3	E277 S278 C284 S285 R310 F352 Q354	E277-E281 PolarHBondContact O-N 3.18Å; S278-E281 PolarHBondContact O-N 3.43Å; E281-C284 PolarHBondContact O-N 3.5Å; E281-S285 WeakPolarHBondContact O-CB 3.27Å; E281-S285 PolarHBondContact O-N 3.44Å; E281-R310 IonicContact OE1-CZ 2.68Å; E281-R310 IonicContact OE1-NH2 3.99Å; E281-R310 PolarHBondContact OE1-NH2 2.74Å; E281-R310 IonicContact OE2-CZ 3.68Å; E281-R310 IonicContact OE2-NH1 3.03Å; E281-R310 PolarHBondContact OE2-NH1 2.94Å; E281-R310 IonicContact OE2-NH2 3.99Å; E281-R310 PolarHBondContact OE2-NH2 3.28Å; E281-F352 HydrophobicContact CB-CB 3.93Å; E281-F352 HydrophobicContact CG-CB 4.33Å; E281-F352 VanDerWaalsContact OE2-CB 3.3Å; E281-F352 WeakPolarHBondContact OE2-CB 3.5Å; E281-F352 WeakPolarHBondContact OE2-CG 3.24Å; E281-Q354 HydrophobicContact CB-CG 3.92Å
282	C	95.6	Very high	92.9	Very high	0 Å²	0	54 Å²	54	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.3	-47	171.2	-76.9	0	0	0	0	112.1	W27 I269 K270 P271 S278 L279 S285 L286	W27-C282 HydrophobicContact CH2-CB 3.76Å; W27-C282 HydrophobicContact CZ2-CB 3.47Å; W27-C282 VanDerWaalsContact CZ2-CB 3.47Å; W27-C282 HydrophobicContact CZ3-CB 4.38Å; I269-C282 HydrophobicContact CG2-CB 3.64Å; I269-C282 WeakPolarHBondContact CG2-O 3.49Å; K270-C282 VanDerWaalsContact C-SG 3.52Å; P271-C282 WeakPolarHBondContact CA-SG 3.46Å; P271-C282 VanDerWaalsContact N-SG 3.37Å; S278-C282 PolarHBondContact O-N 3.21Å; S278-C282 PolarHBondContact O-SG 2.83Å; S278-C282 VanDerWaalsContact O-SG 3.34Å; L279-C282 WeakPolarHBondContact O-CB 3.47Å; L279-C282 PolarHBondContact O-N 2.95Å; C282-S285 WeakPolarHBondContact O-CB 3.24Å; C282-S285 PolarHBondContact O-N 3.47Å; C282-L286 PolarHBondContact O-N 3.1Å; C282-L286 VanDerWaalsContact O-N 3.14Å
283	Q	95.2	Very high	93.4	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.019	21%	0.209	C	C	.	.	H	α-helix	trans	-59.8	-47	176.2	179.2	64.8	39.6	0	0	111.3	L24 W27 L279 R280 S285 L286 D287	L24-Q283 HydrophobicContact CD1-CB 3.87Å; L24-Q283 HydrophobicContact CD1-CG 4.46Å; W27-Q283 HydrophobicContact CH2-CB 4.3Å; W27-Q283 HydrophobicContact CZ3-CB 4.21Å; L279-Q283 PolarHBondContact O-N 2.95Å; R280-Q283 PolarHBondContact O-N 3.22Å; Q283-S285 VanDerWaalsContact C-N 3.28Å; Q283-S285 PolarHBondContact O-N 3.35Å; Q283-L286 PolarHBondContact O-N 3.32Å; Q283-D287 PolarHBondContact NE2-OD1 3.28Å; Q283-D287 PolarHBondContact O-N 3.44Å
284	C	95.1	Very high	94	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.02	18%	0.181	C	C	.	.	H	α-helix	trans	-65	-32.9	179.5	-168.1	0	0	0	0	112.5	R280 E281 D287 H288 C306 R310 F352	R280-C284 WeakPolarHBondContact O-CB 3.43Å; R280-C284 PolarHBondContact O-N 3.09Å; E281-C284 PolarHBondContact O-N 3.5Å; C284-D287 PolarHBondContact O-N 3.04Å; C284-H288 PolarHBondContact O-N 3.45Å; C284-H288 PolarHBondContact O-ND1 2.93Å; C284-H288 PolarHBondContact SG-CE1 3.27Å; C284-H288 PolarHBondContact SG-ND1 3.42Å; C284-H288 VanDerWaalsContact SG-ND1 3.36Å; C284-C306 HydrophobicContact CB-CB 3.97Å; C284-C306 WeakPolarHBondContact CB-SG 3.42Å; C284-C306 WeakPolarHBondContact SG-CB 3.39Å; C284-C306 CovalentContact SG-SG 2.03Å; C284-C306 PolarHBondContact SG-SG 2.87Å; C284-R310 VanDerWaalsContact SG-CZ 3.56Å; C284-F352 HydrophobicContact CB-CD2 4.31Å; C284-F352 HydrophobicContact CB-CE2 4.14Å
285	S	96.3	Very high	94.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.2	-46.7	173	-178.1	0	0	0	0	111.5	H267 E281 C282 Q283 D287 H288 V289 L350	H267-S285 PolarHBondContact NE2-OG 2.66Å; E281-S285 WeakPolarHBondContact O-CB 3.27Å; E281-S285 PolarHBondContact O-N 3.44Å; C282-S285 WeakPolarHBondContact O-CB 3.24Å; C282-S285 PolarHBondContact O-N 3.47Å; Q283-S285 VanDerWaalsContact C-N 3.28Å; Q283-S285 PolarHBondContact O-N 3.35Å; S285-D287 VanDerWaalsContact C-N 3.33Å; S285-H288 PolarHBondContact O-N 3.35Å; S285-V289 PolarHBondContact O-N 3.02Å; S285-L350 VanDerWaalsContact CB-O 3.27Å; S285-L350 WeakPolarHBondContact CB-O 3.28Å; S285-L350 PolarHBondContact OG-O 3.29Å
286	L	96.8	Very high	95.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.5	-37.9	174.7	-63.9	179.2	0	0	0	111.6	W27 H267 W268 I269 C282 Q283 H288 V289 L290 G291 W366	W27-L286 HydrophobicContact CH2-CD1 3.81Å; W27-L286 HydrophobicContact CZ2-CD1 3.89Å; H267-L286 WeakPolarHBondContact O-CD2 3.23Å; W268-L286 HydrophobicContact CE3-CD1 4.09Å; W268-L286 HydrophobicContact CE3-CD2 4.35Å; W268-L286 HydrophobicContact CH2-CD1 4.34Å; W268-L286 HydrophobicContact CZ3-CD1 3.6Å; I269-L286 HydrophobicContact CG2-CD2 4.26Å; I269-L286 HydrophobicContact CG2-CG 4.1Å; C282-L286 PolarHBondContact O-N 3.1Å; C282-L286 VanDerWaalsContact O-N 3.14Å; Q283-L286 PolarHBondContact O-N 3.32Å; L286-H288 PolarHBondContact O-N 2.97Å; L286-V289 PolarHBondContact O-N 3.31Å; L286-L290 WeakPolarHBondContact O-CA 3.41Å; L286-L290 WeakPolarHBondContact O-CB 3.06Å; L286-L290 PolarHBondContact O-N 3.04Å; L286-G291 PolarHBondContact O-N 2.91Å; L286-W366 HydrophobicContact CB-CH2 4.18Å; L286-W366 HydrophobicContact CB-CZ2 3.86Å; L286-W366 HydrophobicContact CD1-CD2 3.86Å; L286-W366 HydrophobicContact CD1-CG 4.02Å; L286-W366 HydrophobicContact CD1-CZ2 4.07Å
287	D	95.8	Very high	95.7	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.016	9%	0.093	C	C	.	.	I	π-helix	trans	-64.1	-38.1	176.8	-72.8	-27.5	0	0	0	112.4	Q283 C284 S285 V289 G291 W292 P304 M307	Q283-D287 PolarHBondContact NE2-OD1 3.28Å; Q283-D287 PolarHBondContact O-N 3.44Å; C284-D287 PolarHBondContact O-N 3.04Å; S285-D287 VanDerWaalsContact C-N 3.33Å; D287-V289 VanDerWaalsContact C-N 3.26Å; D287-V289 PolarHBondContact O-N 3.4Å; D287-G291 CarbonylContact O-C 3.55Å; D287-G291 VanDerWaalsContact O-C 3.31Å; D287-G291 WeakPolarHBondContact O-CA 3.47Å; D287-G291 PolarHBondContact O-N 3.2Å; D287-W292 PolarHBondContact O-N 3.33Å; D287-P304 HydrophobicContact CB-CB 3.79Å; D287-P304 HydrophobicContact CB-CG 4.15Å; D287-M307 VanDerWaalsContact O-SD 3.39Å
288	H	95.8	Very high	96	Very high	17 Å²	17	16.2 Å²	16.2	8%	0.079	7%	0.07	C	C	.	.	I	π-helix	trans	-71.9	-16.7	179.2	-81.3	70	0	0	0	114.3	C284 S285 L286 L350 F352	C284-H288 PolarHBondContact O-N 3.45Å; C284-H288 PolarHBondContact O-ND1 2.93Å; C284-H288 PolarHBondContact SG-CE1 3.27Å; C284-H288 PolarHBondContact SG-ND1 3.42Å; C284-H288 VanDerWaalsContact SG-ND1 3.36Å; S285-H288 PolarHBondContact O-N 3.35Å; L286-H288 PolarHBondContact O-N 2.97Å; H288-L350 HydrophobicContact CB-CD2 3.98Å; H288-F352 AromaticContact CE1-CZ 3.94Å; H288-F352 AromaticContact CG-CZ 3.96Å; H288-F352 AromaticContact ND1-CE2 3.83Å; H288-F352 AromaticContact ND1-CZ 3.82Å
289	V	96.3	Very high	96	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.006	7%	0.072	C	C	.	.	I	π-helix	trans	-112	-62.3	-177.8	-180	0	0	0	0	110.8	F207 H267 S285 L286 D287 L341 I346 L350	F207-V289 HydrophobicContact CD1-CG1 4.3Å; F207-V289 HydrophobicContact CD2-CB 4.34Å; F207-V289 HydrophobicContact CD2-CG1 4.07Å; F207-V289 HydrophobicContact CD2-CG2 4.46Å; F207-V289 HydrophobicContact CE1-CG1 4.41Å; F207-V289 HydrophobicContact CE2-CB 4.25Å; F207-V289 HydrophobicContact CE2-CG1 4.2Å; F207-V289 HydrophobicContact CE2-CG2 3.88Å; F207-V289 HydrophobicContact CG-CG1 4.14Å; F207-V289 HydrophobicContact CZ-CG1 4.38Å; F207-V289 HydrophobicContact CZ-CG2 4.07Å; H267-V289 VanDerWaalsContact CE1-CG2 3.49Å; H267-V289 WeakPolarHBondContact CE1-CG2 3.41Å; S285-V289 PolarHBondContact O-N 3.02Å; L286-V289 PolarHBondContact O-N 3.31Å; D287-V289 VanDerWaalsContact C-N 3.26Å; D287-V289 PolarHBondContact O-N 3.4Å; V289-L341 HydrophobicContact CG1-CD1 3.94Å; V289-I346 HydrophobicContact CG1-CD1 4.11Å; V289-I346 HydrophobicContact CG2-CD1 3.96Å; V289-L350 HydrophobicContact CG2-CD1 4.5Å
290	L	97.3	Very high	96	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	8%	0.076	C	C	.	.	I	π-helix	trans	-84.4	-49.9	-179	-174.9	53.6	0	0	0	111.4	L264 L286 W292 F293 A294 F333 L363 W366 V367	L264-L290 HydrophobicContact CB-CD1 3.54Å; L264-L290 HydrophobicContact CD1-CD1 4.27Å; L286-L290 WeakPolarHBondContact O-CA 3.41Å; L286-L290 WeakPolarHBondContact O-CB 3.06Å; L286-L290 PolarHBondContact O-N 3.04Å; L290-W292 PolarHBondContact O-N 3.27Å; L290-F293 PolarHBondContact O-N 3.48Å; L290-A294 HydrophobicContact CD1-CB 4.21Å; L290-A294 HydrophobicContact CG-CB 4.19Å; L290-A294 WeakPolarHBondContact O-CB 3.37Å; L290-A294 PolarHBondContact O-N 2.9Å; L290-F333 HydrophobicContact CD1-CE1 4.29Å; L290-F333 HydrophobicContact CD1-CZ 3.9Å; L290-F333 HydrophobicContact CD2-CZ 4.24Å; L290-F333 HydrophobicContact CG-CZ 4.3Å; L290-L363 HydrophobicContact CD2-CD1 4.17Å; L290-W366 HydrophobicContact CD2-CE3 4.21Å; L290-W366 HydrophobicContact CD2-CH2 4.5Å; L290-W366 HydrophobicContact CD2-CZ3 3.61Å; L290-W366 HydrophobicContact CG-CZ3 4.26Å; L290-V367 HydrophobicContact CD2-CG2 3.88Å
291	G	96.9	Very high	96.2	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.049	C	C	.	.	I	π-helix	trans	-61.5	-29.7	-176.2	0	0	0	0	0	113.7	L286 D287 F293 A294 R295 P304	L286-G291 PolarHBondContact O-N 2.91Å; D287-G291 CarbonylContact O-C 3.55Å; D287-G291 VanDerWaalsContact O-C 3.31Å; D287-G291 WeakPolarHBondContact O-CA 3.47Å; D287-G291 PolarHBondContact O-N 3.2Å; G291-F293 PolarHBondContact O-N 3.01Å; G291-F293 VanDerWaalsContact O-N 3.17Å; G291-A294 PolarHBondContact O-N 3.08Å; G291-R295 VanDerWaalsContact O-CB 3.29Å; G291-R295 WeakPolarHBondContact O-CB 3.31Å; G291-R295 PolarHBondContact O-N 3.04Å; G291-P304 VanDerWaalsContact O-CG 3.27Å; G291-P304 WeakPolarHBondContact O-CG 3.43Å
292	W	97.8	Very high	96.2	Very high	2 Å²	2	8 Å²	8	1%	0.008	4%	0.041	C	C	.	.	H	α-helix	trans	-51	-41.1	177.8	-178.9	14.9	0	0	0	111.7	F207 A210 Q211 F231 D287 L290 P296 Y303 M307	F207-W292 AromaticContact CD2-CE3 3.7Å; F207-W292 HydrophobicContact CD2-CE3 3.7Å; F207-W292 AromaticContact CD2-CZ3 3.77Å; F207-W292 HydrophobicContact CD2-CZ3 3.77Å; F207-W292 HydrophobicContact CE2-CE3 4.28Å; F207-W292 HydrophobicContact CE2-CZ3 4.23Å; A210-W292 HydrophobicContact CB-CH2 3.52Å; A210-W292 HydrophobicContact CB-CZ2 4.2Å; A210-W292 HydrophobicContact CB-CZ3 4.28Å; Q211-W292 HydrophobicContact CB-CZ3 4.49Å; F231-W292 HydrophobicContact CD1-CH2 4.34Å; F231-W292 AromaticContact CD1-CZ2 3.9Å; F231-W292 HydrophobicContact CD1-CZ2 3.9Å; D287-W292 PolarHBondContact O-N 3.33Å; L290-W292 PolarHBondContact O-N 3.27Å; W292-P296 WeakPolarHBondContact O-CG 3.36Å; W292-Y303 AromaticContact CD1-CD1 3.73Å; W292-Y303 AromaticContact CD1-CE1 3.57Å; W292-Y303 AromaticContact NE1-CE1 3.66Å; W292-M307 HydrophobicContact CB-CE 3.92Å; W292-M307 HydrophobicContact CB-SD 3.56Å; W292-M307 VanDerWaalsContact CB-SD 3.56Å; W292-M307 HydrophobicContact CD2-CE 4.01Å; W292-M307 HydrophobicContact CG-CE 3.61Å; W292-M307 HydrophobicContact CG-SD 3.89Å
293	F	98.5	Very high	96.3	Very high	3 Å²	3	8 Å²	8	1%	0.013	4%	0.041	C	C	.	.	H	α-helix	trans	-105.6	-34.3	178.1	-62.5	-84.1	0	0	0	112.7	P206 F207 A210 L238 L264 L290 G291 P296 L297	P206-F293 HydrophobicContact CB-CD1 3.77Å; P206-F293 HydrophobicContact CB-CD2 4.41Å; P206-F293 HydrophobicContact CB-CE1 3.53Å; P206-F293 HydrophobicContact CB-CE2 4.18Å; P206-F293 HydrophobicContact CB-CG 4.22Å; P206-F293 HydrophobicContact CB-CZ 3.74Å; P206-F293 HydrophobicContact CG-CB 4.12Å; P206-F293 HydrophobicContact CG-CD1 3.49Å; P206-F293 VanDerWaalsContact CG-CD1 3.49Å; P206-F293 HydrophobicContact CG-CD2 3.73Å; P206-F293 HydrophobicContact CG-CE1 3.76Å; P206-F293 HydrophobicContact CG-CE2 3.96Å; P206-F293 HydrophobicContact CG-CG 3.48Å; P206-F293 VanDerWaalsContact CG-CG 3.48Å; P206-F293 HydrophobicContact CG-CZ 3.98Å; F207-F293 HydrophobicContact CB-CD2 4.36Å; F207-F293 HydrophobicContact CB-CE2 3.93Å; A210-F293 HydrophobicContact CB-CZ 4.46Å; L238-F293 HydrophobicContact CD1-CD1 4.15Å; L238-F293 HydrophobicContact CD2-CB 4.42Å; L238-F293 HydrophobicContact CD2-CD1 3.87Å; L238-F293 HydrophobicContact CG-CD1 3.77Å; L238-F293 HydrophobicContact CG-CE1 4.22Å; L264-F293 HydrophobicContact CD2-CB 3.67Å; L290-F293 PolarHBondContact O-N 3.48Å; G291-F293 PolarHBondContact O-N 3.01Å; G291-F293 VanDerWaalsContact O-N 3.17Å; F293-P296 WeakPolarHBondContact O-CD 3.4Å; F293-L297 VanDerWaalsContact O-CD1 3.29Å; F293-L297 WeakPolarHBondContact O-CD1 3.42Å; F293-L297 WeakPolarHBondContact O-CG 3.42Å
294	A	98	Very high	96.3	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-70	-41.7	-176.6	0	0	0	0	0	113	L264 L290 G291 L297 F298 F333 Y371	L264-A294 HydrophobicContact CD1-CB 3.6Å; L290-A294 HydrophobicContact CD1-CB 4.21Å; L290-A294 HydrophobicContact CG-CB 4.19Å; L290-A294 WeakPolarHBondContact O-CB 3.37Å; L290-A294 PolarHBondContact O-N 2.9Å; G291-A294 PolarHBondContact O-N 3.08Å; A294-L297 PolarHBondContact O-N 3Å; A294-F298 WeakPolarHBondContact O-CD2 3.48Å; A294-F298 PolarHBondContact O-N 3.24Å; A294-F333 HydrophobicContact CB-CE2 3.93Å; A294-F333 HydrophobicContact CB-CZ 4.01Å; A294-Y371 HydrophobicContact CB-CE1 4.07Å; A294-Y371 HydrophobicContact CB-CE2 3.83Å; A294-Y371 VanDerWaalsContact CB-CZ 3.48Å; A294-Y371 WeakPolarHBondContact CB-OH 3.2Å
295	R	95.9	Very high	96.2	Very high	19 Å²	19	9.3 Å²	9.3	7%	0.072	5%	0.05	C	C	.	.	H	α-helix	trans	-65.3	-45.6	-176.1	-174.2	-169.3	178.6	114.7	-1.5	112.6	G291 L297 F298 A299 D300 P304 P305 Y371	G291-R295 VanDerWaalsContact O-CB 3.29Å; G291-R295 WeakPolarHBondContact O-CB 3.31Å; G291-R295 PolarHBondContact O-N 3.04Å; R295-L297 PolarHBondContact O-N 3.2Å; R295-F298 PolarHBondContact O-N 3.41Å; R295-A299 HydrophobicContact CG-CB 3.82Å; R295-A299 WeakPolarHBondContact O-CB 3.38Å; R295-A299 PolarHBondContact O-N 3.29Å; R295-D300 IonicContact CZ-OD1 3.29Å; R295-D300 IonicContact CZ-OD2 3.69Å; R295-D300 IonicContact NE-OD1 3.8Å; R295-D300 PolarHBondContact NE-OD1 3.13Å; R295-D300 IonicContact NE-OD2 3.64Å; R295-D300 PolarHBondContact NE-OD2 3.32Å; R295-D300 IonicContact NH2-OD1 2.78Å; R295-D300 IonicContact NH2-OD2 2.81Å; R295-D300 PolarHBondContact NH2-OD2 3.02Å; R295-P304 HydrophobicContact CB-CG 4.2Å; R295-P305 VanDerWaalsContact CZ-CD 3.43Å; R295-Y371 HydrophobicContact CB-CE1 4.44Å
296	P	97.6	Very high	96	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-54.1	-37.1	173.3	-27.9	34.5	0	0	0	113.3	L238 W292 F293 G301 Y303 F318 V326 R327	L238-P296 HydrophobicContact CD1-CB 4.3Å; L238-P296 HydrophobicContact CD1-CG 4.02Å; L238-P296 HydrophobicContact CD2-CB 4.26Å; W292-P296 WeakPolarHBondContact O-CG 3.36Å; F293-P296 WeakPolarHBondContact O-CD 3.4Å; P296-G301 VanDerWaalsContact O-CA 3.27Å; P296-G301 WeakPolarHBondContact O-CA 3.47Å; P296-G301 PolarHBondContact O-N 2.88Å; P296-Y303 HydrophobicContact CG-CD1 4.11Å; P296-Y303 HydrophobicContact CG-CE1 4.41Å; P296-F318 HydrophobicContact CG-CE2 4.47Å; P296-V326 HydrophobicContact CB-CG1 3.73Å; P296-R327 WeakPolarHBondContact O-CA 3.28Å
297	L	97.6	Very high	96	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-79.5	-43.5	-176.2	-59.5	171.8	0	0	0	113.2	L238 H241 M262 L264 F293 A294 R295 V326 G328 T329	L238-L297 HydrophobicContact CD2-CD2 4.2Å; L238-L297 HydrophobicContact CD2-CG 4.25Å; H241-L297 WeakPolarHBondContact CD2-CD2 3.49Å; H241-L297 WeakPolarHBondContact NE2-CD2 3.44Å; M262-L297 HydrophobicContact CB-CD1 4.23Å; M262-L297 HydrophobicContact SD-CD1 4.26Å; L264-L297 HydrophobicContact CD1-CD1 4.26Å; L264-L297 HydrophobicContact CD2-CD1 4.46Å; F293-L297 VanDerWaalsContact O-CD1 3.29Å; F293-L297 WeakPolarHBondContact O-CD1 3.42Å; F293-L297 WeakPolarHBondContact O-CG 3.42Å; A294-L297 PolarHBondContact O-N 3Å; R295-L297 PolarHBondContact O-N 3.2Å; L297-V326 HydrophobicContact CD2-CG1 3.89Å; L297-G328 WeakPolarHBondContact O-CA 3.44Å; L297-G328 PolarHBondContact O-N 3.13Å; L297-T329 WeakPolarHBondContact CD2-OG1 3.33Å
298	F	96.5	Very high	95.9	Very high	35 Å²	35	15.2 Å²	15.2	15%	0.154	8%	0.075	C	C	.	.	H	α-helix	trans	-108	-8.7	-167.4	-67.2	-83.1	0	0	0	114.9	L264 A294 R295 A330 F332 F333 Y371	L264-F298 HydrophobicContact CD1-CE2 4.27Å; A294-F298 WeakPolarHBondContact O-CD2 3.48Å; A294-F298 PolarHBondContact O-N 3.24Å; R295-F298 PolarHBondContact O-N 3.41Å; F298-A330 HydrophobicContact CE1-CB 3.72Å; F298-A330 HydrophobicContact CE2-CB 4.02Å; F298-A330 HydrophobicContact CZ-CB 3.34Å; F298-F332 WeakPolarHBondContact CZ-O 3.43Å; F298-F333 HydrophobicContact CD1-CD2 4.26Å; F298-F333 AromaticContact CD2-CD2 3.69Å; F298-F333 HydrophobicContact CD2-CD2 3.69Å; F298-F333 AromaticContact CD2-CE2 3.77Å; F298-F333 HydrophobicContact CD2-CE2 3.77Å; F298-F333 HydrophobicContact CE1-CB 4.27Å; F298-F333 HydrophobicContact CE1-CD2 4.04Å; F298-F333 AromaticContact CE2-CD2 3.45Å; F298-F333 HydrophobicContact CE2-CD2 3.45Å; F298-F333 VanDerWaalsContact CE2-CD2 3.45Å; F298-F333 AromaticContact CE2-CE2 3.77Å; F298-F333 HydrophobicContact CE2-CE2 3.77Å; F298-F333 HydrophobicContact CE2-CG 4.22Å; F298-F333 HydrophobicContact CG-CD2 4.11Å; F298-F333 HydrophobicContact CG-CE2 4.44Å; F298-F333 HydrophobicContact CZ-CB 4.04Å; F298-F333 AromaticContact CZ-CD2 3.64Å; F298-F333 HydrophobicContact CZ-CD2 3.64Å; F298-F333 HydrophobicContact CZ-CE2 4.42Å; F298-F333 HydrophobicContact CZ-CG 4.11Å; F298-Y371 HydrophobicContact CB-CD1 3.83Å; F298-Y371 HydrophobicContact CB-CG 4.03Å
299	A	93.6	Very high	95.8	Very high	15 Å²	15	22.2 Å²	22.2	12%	0.124	11%	0.107	C	C	.	.	S	Bend	trans	-119.5	-100.8	-178	0	0	0	0	0	112.2	A18 R295 R327	A18-A299 HydrophobicContact CB-CB 4.12Å; R295-A299 HydrophobicContact CG-CB 3.82Å; R295-A299 WeakPolarHBondContact O-CB 3.38Å; R295-A299 PolarHBondContact O-N 3.29Å; A299-R327 WeakPolarHBondContact O-CG 3.45Å; A299-R327 PolarHBondContact O-NE 2.97Å
300	D	92.8	Very high	95.7	Very high	47 Å²	47	27.2 Å²	27.2	25%	0.251	13%	0.126	S	C	.	.	S	Bend	trans	-114.8	11.9	-163.4	56.8	-4.9	0	0	0	114.2	R295 D302 R323	R295-D300 IonicContact CZ-OD1 3.29Å; R295-D300 IonicContact CZ-OD2 3.69Å; R295-D300 IonicContact NE-OD1 3.8Å; R295-D300 PolarHBondContact NE-OD1 3.13Å; R295-D300 IonicContact NE-OD2 3.64Å; R295-D300 PolarHBondContact NE-OD2 3.32Å; R295-D300 IonicContact NH2-OD1 2.78Å; R295-D300 IonicContact NH2-OD2 2.81Å; R295-D300 PolarHBondContact NH2-OD2 3.02Å; D300-D302 PolarHBondContact O-N 3.12Å; D300-R323 PolarHBondContact O-NH2 3.22Å
301	G	95.5	Very high	95.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	75.7	2.7	178.7	0	0	0	0	0	114.7	P296 R323	P296-G301 VanDerWaalsContact O-CA 3.27Å; P296-G301 WeakPolarHBondContact O-CA 3.47Å; P296-G301 PolarHBondContact O-N 2.88Å; G301-R323 WeakPolarHBondContact CA-O 3.43Å
302	D	96.1	Very high	95.4	Very high	16 Å²	16	30.2 Å²	30.2	9%	0.086	15%	0.152	C	C	.	.	S	Bend	trans	-126.7	165.3	-173.1	-159.5	3.7	0	0	0	112.3	D300 R308 R323	D300-D302 PolarHBondContact O-N 3.12Å; D302-R308 IonicContact OD2-CZ 3.48Å; D302-R308 IonicContact OD2-NH1 2.71Å; D302-R308 PolarHBondContact OD2-NH1 2.93Å; D302-R323 HydrophobicContact CB-CG 4.45Å
303	Y	97.3	Very high	95.1	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	19%	0.194	C	C	.	.			trans	-68.7	153.3	179.9	-66.8	-59.6	0	0	0	113	H235 L238 W292 P296 R308 L315 P316 F318	H235-Y303 WeakPolarHBondContact CA-OH 3.41Å; H235-Y303 VanDerWaalsContact CB-OH 3.29Å; H235-Y303 WeakPolarHBondContact CB-OH 3.5Å; H235-Y303 AromaticContact ND1-CE2 3.84Å; H235-Y303 AromaticContact ND1-CZ 3.75Å; H235-Y303 PolarHBondContact ND1-OH 3.1Å; L238-Y303 HydrophobicContact CD1-CE1 3.64Å; W292-Y303 AromaticContact CD1-CD1 3.73Å; W292-Y303 AromaticContact CD1-CE1 3.57Å; W292-Y303 AromaticContact NE1-CE1 3.66Å; P296-Y303 HydrophobicContact CG-CD1 4.11Å; P296-Y303 HydrophobicContact CG-CE1 4.41Å; Y303-R308 PolarHBondContact O-NE 3.22Å; Y303-L315 HydrophobicContact CD1-CD1 4.47Å; Y303-L315 HydrophobicContact CD2-CD1 4.05Å; Y303-L315 HydrophobicContact CD2-CD2 3.72Å; Y303-L315 HydrophobicContact CD2-CG 3.77Å; Y303-L315 HydrophobicContact CE1-CD1 4.46Å; Y303-L315 HydrophobicContact CE2-CD1 4.03Å; Y303-L315 HydrophobicContact CE2-CD2 4.48Å; Y303-L315 HydrophobicContact CE2-CG 4.06Å; Y303-L315 HydrophobicContact CG-CD1 4.26Å; Y303-L315 HydrophobicContact CG-CD2 3.8Å; Y303-L315 HydrophobicContact CG-CG 4.24Å; Y303-P316 WeakPolarHBondContact CD2-O 3.4Å; Y303-P316 WeakPolarHBondContact CE2-O 3.47Å; Y303-F318 HydrophobicContact CD1-CE2 4.23Å; Y303-F318 AromaticContact CD2-CD2 4Å; Y303-F318 HydrophobicContact CD2-CD2 4Å; Y303-F318 AromaticContact CD2-CE2 3.89Å; Y303-F318 HydrophobicContact CD2-CE2 3.89Å; Y303-F318 AromaticContact CE1-CE2 3.81Å; Y303-F318 HydrophobicContact CE1-CE2 3.81Å; Y303-F318 HydrophobicContact CE1-CZ 4.36Å; Y303-F318 AromaticContact CE2-CD2 3.77Å; Y303-F318 HydrophobicContact CE2-CD2 3.77Å; Y303-F318 AromaticContact CE2-CE2 3.43Å; Y303-F318 HydrophobicContact CE2-CE2 3.43Å; Y303-F318 VanDerWaalsContact CE2-CE2 3.43Å; Y303-F318 HydrophobicContact CE2-CZ 4.19Å; Y303-F318 HydrophobicContact CG-CE2 4.27Å; Y303-F318 AromaticContact CZ-CE2 3.39Å; Y303-F318 AromaticContact CZ-CZ 3.84Å
304	P	95.4	Very high	94.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.211	C	C	.	.			trans	-54.5	138.9	177.9	-26.3	34.1	0	0	0	113.6	D287 G291 R295 C306 M307 R308	D287-P304 HydrophobicContact CB-CB 3.79Å; D287-P304 HydrophobicContact CB-CG 4.15Å; G291-P304 VanDerWaalsContact O-CG 3.27Å; G291-P304 WeakPolarHBondContact O-CG 3.43Å; R295-P304 HydrophobicContact CB-CG 4.2Å; P304-C306 VanDerWaalsContact C-N 3.29Å; P304-C306 PolarHBondContact O-N 3.34Å; P304-M307 HydrophobicContact CB-CB 4.42Å; P304-M307 HydrophobicContact CB-CG 4.2Å; P304-M307 HydrophobicContact CB-SD 4.47Å; P304-M307 HydrophobicContact CG-CG 4.36Å; P304-M307 HydrophobicContact CG-SD 3.99Å; P304-M307 WeakPolarHBondContact O-CB 3.34Å; P304-M307 PolarHBondContact O-N 3.39Å; P304-R308 PolarHBondContact O-N 2.91Å; P304-R308 VanDerWaalsContact O-N 3.08Å
305	P	92.9	Very high	94.7	Very high	34 Å²	34	41.4 Å²	41.4	22%	0.221	21%	0.214	C	C	.	.	H	α-helix	trans	-52	-43.8	177.1	-29.5	35	0	0	0	113.4	R295 M307 R308 E309	R295-P305 VanDerWaalsContact CZ-CD 3.43Å; P305-M307 VanDerWaalsContact C-N 3.28Å; P305-M307 PolarHBondContact O-N 3.45Å; P305-R308 PolarHBondContact O-N 3.5Å; P305-E309 WeakPolarHBondContact O-CB 3.46Å; P305-E309 PolarHBondContact O-N 3.48Å
306	C	92.5	Very high	94.7	Very high	18 Å²	18	42 Å²	42	12%	0.122	22%	0.221	C	C	.	.	H	α-helix	trans	-61.9	-36.6	179.6	-162.6	0	0	0	0	112.6	C284 P304 R310	C284-C306 HydrophobicContact CB-CB 3.97Å; C284-C306 WeakPolarHBondContact CB-SG 3.42Å; C284-C306 WeakPolarHBondContact SG-CB 3.39Å; C284-C306 CovalentContact SG-SG 2.03Å; C284-C306 PolarHBondContact SG-SG 2.87Å; P304-C306 VanDerWaalsContact C-N 3.29Å; P304-C306 PolarHBondContact O-N 3.34Å; C306-R310 WeakPolarHBondContact O-CB 3.47Å; C306-R310 WeakPolarHBondContact O-CG 3.49Å; C306-R310 PolarHBondContact O-N 2.77Å; C306-R310 VanDerWaalsContact O-N 3.11Å; C306-R310 PolarHBondContact SG-NE 3.12Å
307	M	95.1	Very high	94.6	Very high	1 Å²	1	47 Å²	47	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-69.2	-46.8	176.5	-70.1	-173.4	72.8	0	0	111.2	F231 D287 W292 P304 P305 E309 R310 L311 L315	F231-M307 HydrophobicContact CE1-CE 4.21Å; D287-M307 VanDerWaalsContact O-SD 3.39Å; W292-M307 HydrophobicContact CB-CE 3.92Å; W292-M307 HydrophobicContact CB-SD 3.56Å; W292-M307 VanDerWaalsContact CB-SD 3.56Å; W292-M307 HydrophobicContact CD2-CE 4.01Å; W292-M307 HydrophobicContact CG-CE 3.61Å; W292-M307 HydrophobicContact CG-SD 3.89Å; P304-M307 HydrophobicContact CB-CB 4.42Å; P304-M307 HydrophobicContact CB-CG 4.2Å; P304-M307 HydrophobicContact CB-SD 4.47Å; P304-M307 HydrophobicContact CG-CG 4.36Å; P304-M307 HydrophobicContact CG-SD 3.99Å; P304-M307 WeakPolarHBondContact O-CB 3.34Å; P304-M307 PolarHBondContact O-N 3.39Å; P305-M307 VanDerWaalsContact C-N 3.28Å; P305-M307 PolarHBondContact O-N 3.45Å; M307-E309 VanDerWaalsContact C-N 3.31Å; M307-E309 PolarHBondContact O-N 2.96Å; M307-R310 PolarHBondContact O-N 3.42Å; M307-L311 HydrophobicContact CB-CD1 4.25Å; M307-L311 HydrophobicContact CE-CD1 3.8Å; M307-L311 VanDerWaalsContact O-CB 3.22Å; M307-L311 WeakPolarHBondContact O-CB 3.38Å; M307-L311 WeakPolarHBondContact O-CG 3.43Å; M307-L311 PolarHBondContact O-N 2.7Å; M307-L315 HydrophobicContact CB-CD2 4.17Å; M307-L315 HydrophobicContact CE-CD1 4.47Å
308	R	95	Very high	94.5	Very high	109 Å²	109	47.8 Å²	47.8	41%	0.411	26%	0.259	S	S	.	.	H	α-helix	trans	-60	-42.3	178.7	-66.7	-174	-57.7	173.4	7.2	111.7	D302 Y303 P304 P305 G312 L315	D302-R308 IonicContact OD2-CZ 3.48Å; D302-R308 IonicContact OD2-NH1 2.71Å; D302-R308 PolarHBondContact OD2-NH1 2.93Å; Y303-R308 PolarHBondContact O-NE 3.22Å; P304-R308 PolarHBondContact O-N 2.91Å; P304-R308 VanDerWaalsContact O-N 3.08Å; P305-R308 PolarHBondContact O-N 3.5Å; R308-G312 WeakPolarHBondContact O-CA 3.26Å; R308-G312 PolarHBondContact O-N 2.87Å; R308-L315 HydrophobicContact CG-CD2 3.95Å
309	E	93.7	Very high	94.4	Very high	163 Å²	163	49.7 Å²	49.7	76%	0.762	27%	0.273	S	S	*	.	H	α-helix	trans	-64.6	-45	177.8	-173.6	-179.2	179.4	0	0	112.3	P305 M307	P305-E309 WeakPolarHBondContact O-CB 3.46Å; P305-E309 PolarHBondContact O-N 3.48Å; M307-E309 VanDerWaalsContact C-N 3.31Å; M307-E309 PolarHBondContact O-N 2.96Å
310	R	94	Very high	94.5	Very high	107 Å²	107	54 Å²	54	40%	0.404	29%	0.291	S	S	.	.	H	α-helix	trans	-80.3	-34.4	-176	-70	-175.7	-178.9	-165.1	-3.2	114.1	E281 C284 C306 M307	E281-R310 IonicContact OE1-CZ 2.68Å; E281-R310 IonicContact OE1-NH2 3.99Å; E281-R310 PolarHBondContact OE1-NH2 2.74Å; E281-R310 IonicContact OE2-CZ 3.68Å; E281-R310 IonicContact OE2-NH1 3.03Å; E281-R310 PolarHBondContact OE2-NH1 2.94Å; E281-R310 IonicContact OE2-NH2 3.99Å; E281-R310 PolarHBondContact OE2-NH2 3.28Å; C284-R310 VanDerWaalsContact SG-CZ 3.56Å; C306-R310 WeakPolarHBondContact O-CB 3.47Å; C306-R310 WeakPolarHBondContact O-CG 3.49Å; C306-R310 PolarHBondContact O-N 2.77Å; C306-R310 VanDerWaalsContact O-N 3.11Å; C306-R310 PolarHBondContact SG-NE 3.12Å; M307-R310 PolarHBondContact O-N 3.42Å
311	L	93.6	Very high	94.7	Very high	21 Å²	21	58.9 Å²	58.9	11%	0.11	31%	0.312	C	S	.	.	H	α-helix	trans	-93.8	-24.1	-175.2	-61.5	173.2	0	0	0	112.4	F231 M307 S313 R314 L315	F231-L311 HydrophobicContact CD1-CD1 4.07Å; F231-L311 HydrophobicContact CE1-CD1 3.45Å; F231-L311 VanDerWaalsContact CE1-CD1 3.45Å; F231-L311 HydrophobicContact CE1-CD2 4.49Å; F231-L311 HydrophobicContact CE2-CD1 4.2Å; F231-L311 HydrophobicContact CE2-CD2 4.05Å; F231-L311 HydrophobicContact CZ-CD1 3.53Å; F231-L311 HydrophobicContact CZ-CD2 3.71Å; F231-L311 HydrophobicContact CZ-CG 4.27Å; M307-L311 HydrophobicContact CB-CD1 4.25Å; M307-L311 HydrophobicContact CE-CD1 3.8Å; M307-L311 VanDerWaalsContact O-CB 3.22Å; M307-L311 WeakPolarHBondContact O-CB 3.38Å; M307-L311 WeakPolarHBondContact O-CG 3.43Å; M307-L311 PolarHBondContact O-N 2.7Å; L311-S313 PolarHBondContact O-N 2.81Å; L311-R314 HydrophobicContact CB-CB 4.45Å; L311-R314 VanDerWaalsContact O-CB 3.26Å; L311-R314 WeakPolarHBondContact O-CB 3.49Å; L311-R314 WeakPolarHBondContact O-CG 3.4Å; L311-R314 PolarHBondContact O-N 2.96Å; L311-L315 HydrophobicContact CB-CB 3.98Å; L311-L315 HydrophobicContact CD1-CB 4.31Å; L311-L315 HydrophobicContact CD1-CD1 4.35Å; L311-L315 HydrophobicContact CD1-CD2 4.48Å
312	G	93.5	Very high	94.7	Very high	42 Å²	42	60.8 Å²	60.8	43%	0.433	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	52	-126.7	179.4	0	0	0	0	0	111.8	R308 R314 L315	R308-G312 WeakPolarHBondContact O-CA 3.26Å; R308-G312 PolarHBondContact O-N 2.87Å; G312-R314 PolarHBondContact O-N 2.76Å; G312-L315 PolarHBondContact O-N 2.78Å
313	S	92.1	Very high	94.7	Very high	127 Å²	127	63.3 Å²	63.3	89%	0.888	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-68.8	-10.1	-178.6	58.7	0	0	0	0	115.1	L311 L315	L311-S313 PolarHBondContact O-N 2.81Å; S313-L315 VanDerWaalsContact C-N 3.29Å
314	R	93.3	Very high	94.7	Very high	101 Å²	101	68.9 Å²	68.9	38%	0.381	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-73.4	-24.4	177.6	-56.7	176.8	64.5	-153.4	-12.2	112.2	P227 D228 L311 G312	P227-R314 PolarHBondContact O-NH2 3.25Å; D228-R314 IonicContact OD1-CZ 3.72Å; D228-R314 VanDerWaalsContact OD1-CZ 3.28Å; D228-R314 IonicContact OD1-NE 3.71Å; D228-R314 PolarHBondContact OD1-NE 2.86Å; D228-R314 IonicContact OD1-NH2 2.87Å; D228-R314 PolarHBondContact OD1-NH2 3Å; L311-R314 HydrophobicContact CB-CB 4.45Å; L311-R314 VanDerWaalsContact O-CB 3.26Å; L311-R314 WeakPolarHBondContact O-CB 3.49Å; L311-R314 WeakPolarHBondContact O-CG 3.4Å; L311-R314 PolarHBondContact O-N 2.96Å; G312-R314 PolarHBondContact O-N 2.76Å
315	L	95.7	Very high	94.7	Very high	13 Å²	13	73.2 Å²	73.2	7%	0.068	38%	0.376	C	S	.	.	S	Bend	trans	-92.7	127.6	176.7	-174.5	66.7	0	0	0	109	F231 Y303 M307 R308 L311 G312 S313	F231-L315 HydrophobicContact CB-CD1 4.12Å; F231-L315 HydrophobicContact CD1-CD1 3.87Å; F231-L315 HydrophobicContact CG-CD1 4.18Å; Y303-L315 HydrophobicContact CD1-CD1 4.47Å; Y303-L315 HydrophobicContact CD2-CD1 4.05Å; Y303-L315 HydrophobicContact CD2-CD2 3.72Å; Y303-L315 HydrophobicContact CD2-CG 3.77Å; Y303-L315 HydrophobicContact CE1-CD1 4.46Å; Y303-L315 HydrophobicContact CE2-CD1 4.03Å; Y303-L315 HydrophobicContact CE2-CD2 4.48Å; Y303-L315 HydrophobicContact CE2-CG 4.06Å; Y303-L315 HydrophobicContact CG-CD1 4.26Å; Y303-L315 HydrophobicContact CG-CD2 3.8Å; Y303-L315 HydrophobicContact CG-CG 4.24Å; M307-L315 HydrophobicContact CB-CD2 4.17Å; M307-L315 HydrophobicContact CE-CD1 4.47Å; R308-L315 HydrophobicContact CG-CD2 3.95Å; L311-L315 HydrophobicContact CB-CB 3.98Å; L311-L315 HydrophobicContact CD1-CB 4.31Å; L311-L315 HydrophobicContact CD1-CD1 4.35Å; L311-L315 HydrophobicContact CD1-CD2 4.48Å; G312-L315 PolarHBondContact O-N 2.78Å; S313-L315 VanDerWaalsContact C-N 3.29Å
316	P	95.2	Very high	94.9	Very high	32 Å²	32	71.7 Å²	71.7	21%	0.208	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-57.1	151.4	172.8	-25.6	35.3	0	0	0	111.8	R232 H235 Y303	R232-P316 HydrophobicContact CG-CG 4.13Å; H235-P316 HydrophobicContact CB-CB 4.18Å; H235-P316 HydrophobicContact CB-CG 4.03Å; Y303-P316 WeakPolarHBondContact CD2-O 3.4Å; Y303-P316 WeakPolarHBondContact CE2-O 3.47Å
317	S	94.5	Very high	95.1	Very high	104 Å²	104	76 Å²	76	73%	0.727	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-99	142.1	172.5	51.2	0	0	0	0	110.7
318	F	95.9	Very high	95.2	Very high	18 Å²	18	77.9 Å²	77.9	8%	0.079	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-84.4	135.2	166.7	-72.9	-70.5	0	0	0	110.4	H235 L238 K239 P296 Y303 E322 R323 V326	H235-F318 AromaticContact CE1-CD1 3.24Å; H235-F318 WeakPolarHBondContact CE1-CD1 3.22Å; H235-F318 AromaticContact CE1-CE1 3.18Å; H235-F318 WeakPolarHBondContact CE1-CE1 3.44Å; H235-F318 AromaticContact CE1-CG 3.84Å; H235-F318 AromaticContact CE1-CZ 3.72Å; H235-F318 AromaticContact ND1-CD1 3.95Å; H235-F318 AromaticContact ND1-CE1 3.5Å; H235-F318 AromaticContact ND1-CZ 3.57Å; H235-F318 AromaticContact NE2-CE1 3.9Å; L238-F318 HydrophobicContact CB-CZ 4.31Å; L238-F318 HydrophobicContact CD1-CE2 4.37Å; L238-F318 HydrophobicContact CD1-CZ 3.91Å; K239-F318 HydrophobicContact CG-CE1 4.43Å; P296-F318 HydrophobicContact CG-CE2 4.47Å; Y303-F318 HydrophobicContact CD1-CE2 4.23Å; Y303-F318 AromaticContact CD2-CD2 4Å; Y303-F318 HydrophobicContact CD2-CD2 4Å; Y303-F318 AromaticContact CD2-CE2 3.89Å; Y303-F318 HydrophobicContact CD2-CE2 3.89Å; Y303-F318 AromaticContact CE1-CE2 3.81Å; Y303-F318 HydrophobicContact CE1-CE2 3.81Å; Y303-F318 HydrophobicContact CE1-CZ 4.36Å; Y303-F318 AromaticContact CE2-CD2 3.77Å; Y303-F318 HydrophobicContact CE2-CD2 3.77Å; Y303-F318 AromaticContact CE2-CE2 3.43Å; Y303-F318 HydrophobicContact CE2-CE2 3.43Å; Y303-F318 VanDerWaalsContact CE2-CE2 3.43Å; Y303-F318 HydrophobicContact CE2-CZ 4.19Å; Y303-F318 HydrophobicContact CG-CE2 4.27Å; Y303-F318 AromaticContact CZ-CE2 3.39Å; Y303-F318 AromaticContact CZ-CZ 3.84Å; F318-E322 HydrophobicContact CB-CB 4.32Å; F318-E322 HydrophobicContact CD1-CB 3.7Å; F318-E322 HydrophobicContact CG-CB 4.48Å; F318-R323 HydrophobicContact CB-CG 3.51Å; F318-R323 HydrophobicContact CG-CG 4.38Å; F318-V326 HydrophobicContact CE1-CG2 4.15Å
319	T	95.8	Very high	95.3	Very high	74 Å²	74	72.7 Å²	72.7	45%	0.454	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-66.7	161	162.5	60.3	0	0	0	0	110.2	E321 E322 R323	T319-E321 PolarHBondContact O-N 3.29Å; T319-E322 WeakPolarHBondContact CB-OE2 3.48Å; T319-E322 WeakPolarHBondContact CG2-OE2 3.46Å; T319-E322 PolarHBondContact N-OE2 3.01Å; T319-E322 PolarHBondContact O-N 2.95Å; T319-E322 WeakPolarHBondContact OG1-CB 3.43Å; T319-E322 VanDerWaalsContact OG1-CD 3.25Å; T319-E322 WeakPolarHBondContact OG1-CG 3.48Å; T319-E322 PolarHBondContact OG1-N 2.89Å; T319-E322 PolarHBondContact OG1-OE2 3.32Å; T319-R323 WeakPolarHBondContact O-CG 3.2Å; T319-R323 PolarHBondContact O-N 2.88Å
320	Q	95.6	Very high	95.5	Very high	105 Å²	105	65.7 Å²	65.7	49%	0.491	35%	0.35	S	S	.	.	H	α-helix	trans	-57.9	-40.2	178.5	-178.4	58.5	26.4	0	0	112.2	R323 E324	Q320-R323 PolarHBondContact O-N 3.14Å; Q320-E324 PolarHBondContact NE2-OE1 3.01Å; Q320-E324 WeakPolarHBondContact O-CG 3.4Å; Q320-E324 PolarHBondContact O-N 2.75Å; Q320-E324 VanDerWaalsContact O-N 3.16Å
321	E	95.6	Very high	95.8	Very high	151 Å²	151	62.7 Å²	62.7	71%	0.706	34%	0.342	S	S	*	.	H	α-helix	trans	-62.7	-45.2	176.6	-66.6	166.3	-167.5	0	0	111.4	T319 R323 E324 Q325	T319-E321 PolarHBondContact O-N 3.29Å; E321-R323 VanDerWaalsContact C-N 3.35Å; E321-R323 PolarHBondContact O-N 3.44Å; E321-E324 PolarHBondContact O-N 2.61Å; E321-Q325 WeakPolarHBondContact O-CG 3.5Å; E321-Q325 PolarHBondContact O-N 2.95Å
322	E	96.2	Very high	96	Very high	39 Å²	39	61.7 Å²	61.7	18%	0.182	34%	0.337	C	S	.	.	H	α-helix	trans	-65.8	-37.1	178.1	-70.1	165.7	137.6	0	0	112.5	K239 F318 T319 E324 Q325 V326	K239-E322 WeakPolarHBondContact CE-OE1 3.31Å; K239-E322 IonicContact NZ-OE1 2.7Å; K239-E322 PolarHBondContact NZ-OE1 3.21Å; F318-E322 HydrophobicContact CB-CB 4.32Å; F318-E322 HydrophobicContact CD1-CB 3.7Å; F318-E322 HydrophobicContact CG-CB 4.48Å; T319-E322 WeakPolarHBondContact CB-OE2 3.48Å; T319-E322 WeakPolarHBondContact CG2-OE2 3.46Å; T319-E322 PolarHBondContact N-OE2 3.01Å; T319-E322 PolarHBondContact O-N 2.95Å; T319-E322 WeakPolarHBondContact OG1-CB 3.43Å; T319-E322 VanDerWaalsContact OG1-CD 3.25Å; T319-E322 WeakPolarHBondContact OG1-CG 3.48Å; T319-E322 PolarHBondContact OG1-N 2.89Å; T319-E322 PolarHBondContact OG1-OE2 3.32Å; E322-E324 VanDerWaalsContact C-N 3.28Å; E322-E324 PolarHBondContact O-N 3.39Å; E322-Q325 PolarHBondContact O-N 3.12Å; E322-Q325 VanDerWaalsContact O-N 3.14Å; E322-V326 WeakPolarHBondContact O-CG2 3.09Å; E322-V326 PolarHBondContact O-N 3.3Å
323	R	96.9	Very high	96.3	Very high	70 Å²	70	59.7 Å²	59.7	26%	0.264	32%	0.316	S	S	.	.	H	α-helix	trans	-58.2	-44.7	174.1	-67	172.9	64.5	-160.3	4.7	110.7	D300 G301 D302 F318 T319 Q320 E321 Q325 V326 R327	D300-R323 PolarHBondContact O-NH2 3.22Å; G301-R323 WeakPolarHBondContact CA-O 3.43Å; D302-R323 HydrophobicContact CB-CG 4.45Å; F318-R323 HydrophobicContact CB-CG 3.51Å; F318-R323 HydrophobicContact CG-CG 4.38Å; T319-R323 WeakPolarHBondContact O-CG 3.2Å; T319-R323 PolarHBondContact O-N 2.88Å; Q320-R323 PolarHBondContact O-N 3.14Å; E321-R323 VanDerWaalsContact C-N 3.35Å; E321-R323 PolarHBondContact O-N 3.44Å; R323-Q325 VanDerWaalsContact C-N 3.34Å; R323-V326 PolarHBondContact O-N 2.96Å; R323-R327 WeakPolarHBondContact O-CB 3.38Å; R323-R327 PolarHBondContact O-N 3.4Å
324	E	96	Very high	96.6	Very high	118 Å²	118	53.7 Å²	53.7	55%	0.551	27%	0.274	S	S	*	.	H	α-helix	trans	-67.9	-33.2	176.8	-70.7	171	-164.8	0	0	112.5	Q320 E321 E322	Q320-E324 PolarHBondContact NE2-OE1 3.01Å; Q320-E324 WeakPolarHBondContact O-CG 3.4Å; Q320-E324 PolarHBondContact O-N 2.75Å; Q320-E324 VanDerWaalsContact O-N 3.16Å; E321-E324 PolarHBondContact O-N 2.61Å; E322-E324 VanDerWaalsContact C-N 3.28Å; E322-E324 PolarHBondContact O-N 3.39Å
325	Q	95.7	Very high	96.8	Very high	90 Å²	90	48.9 Å²	48.9	42%	0.421	26%	0.256	S	S	.	.	H	α-helix	trans	-69.7	-37.6	175.2	-70.1	-54	-54.5	0	0	112.8	H246 E321 E322 R323 T329	H246-Q325 PolarHBondContact CD2-O 3.36Å; H246-Q325 PolarHBondContact NE2-O 3.27Å; E321-Q325 WeakPolarHBondContact O-CG 3.5Å; E321-Q325 PolarHBondContact O-N 2.95Å; E322-Q325 PolarHBondContact O-N 3.12Å; E322-Q325 VanDerWaalsContact O-N 3.14Å; R323-Q325 VanDerWaalsContact C-N 3.34Å; Q325-T329 WeakPolarHBondContact O-CG2 3.4Å
326	V	96.9	Very high	96.9	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.012	25%	0.253	C	S	.	.	H	α-helix	trans	-85.4	-33.1	-176.9	179.8	0	0	0	0	112	L238 A242 P296 L297 F318 E322 R323 G328 T329	L238-V326 HydrophobicContact CD2-CG1 4.39Å; A242-V326 HydrophobicContact CB-CB 4.42Å; A242-V326 HydrophobicContact CB-CG2 3.93Å; P296-V326 HydrophobicContact CB-CG1 3.73Å; L297-V326 HydrophobicContact CD2-CG1 3.89Å; F318-V326 HydrophobicContact CE1-CG2 4.15Å; E322-V326 WeakPolarHBondContact O-CG2 3.09Å; E322-V326 PolarHBondContact O-N 3.3Å; R323-V326 PolarHBondContact O-N 2.96Å; V326-G328 PolarHBondContact O-N 3.06Å; V326-T329 WeakPolarHBondContact O-CB 3.1Å; V326-T329 WeakPolarHBondContact O-CG2 3.5Å; V326-T329 PolarHBondContact O-N 3.1Å; V326-T329 PolarHBondContact O-OG1 3.47Å
327	R	96.8	Very high	96.9	Very high	108 Å²	108	46.9 Å²	46.9	41%	0.408	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	130	-179.6	-176.4	-179.7	-175.7	-165.3	-4.5	111.7	D17 P296 A299 R323 T329	D17-R327 IonicContact OD1-CZ 2.6Å; D17-R327 IonicContact OD1-NH2 3.17Å; D17-R327 PolarHBondContact OD1-NH2 3Å; P296-R327 WeakPolarHBondContact O-CA 3.28Å; A299-R327 WeakPolarHBondContact O-CG 3.45Å; A299-R327 PolarHBondContact O-NE 2.97Å; R323-R327 WeakPolarHBondContact O-CB 3.38Å; R323-R327 PolarHBondContact O-N 3.4Å; R327-T329 VanDerWaalsContact C-N 3.34Å
328	G	96.7	Very high	96.5	Very high	42 Å²	42	42.2 Å²	42.2	43%	0.433	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	15.5	174.9	0	0	0	0	0	114.7	L297 V326 A330	L297-G328 WeakPolarHBondContact O-CA 3.44Å; L297-G328 PolarHBondContact O-N 3.13Å; V326-G328 PolarHBondContact O-N 3.06Å; G328-A330 PolarHBondContact O-N 3.37Å; G328-A330 VanDerWaalsContact O-N 3.15Å
329	T	98.4	Very high	96	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.208	C	C	.	.			trans	-84.7	30.3	-176.8	54.5	0	0	0	0	114.5	H241 A242 W245 L297 Q325 V326 R327	H241-T329 PolarHBondContact CE1-O 2.57Å; H241-T329 VanDerWaalsContact CE1-O 3.3Å; H241-T329 PolarHBondContact NE2-O 2.87Å; A242-T329 HydrophobicContact CB-CG2 4.08Å; W245-T329 HydrophobicContact CB-CG2 4.29Å; W245-T329 HydrophobicContact CD2-CG2 4.02Å; W245-T329 HydrophobicContact CE3-CG2 3.76Å; W245-T329 HydrophobicContact CG-CG2 4.26Å; W245-T329 VanDerWaalsContact CG-O 3.28Å; W245-T329 HydrophobicContact CZ3-CG2 4.42Å; W245-T329 PolarHBondContact NE1-O 3.1Å; L297-T329 WeakPolarHBondContact CD2-OG1 3.33Å; Q325-T329 WeakPolarHBondContact O-CG2 3.4Å; V326-T329 WeakPolarHBondContact O-CB 3.1Å; V326-T329 WeakPolarHBondContact O-CG2 3.5Å; V326-T329 PolarHBondContact O-N 3.1Å; V326-T329 PolarHBondContact O-OG1 3.47Å; R327-T329 VanDerWaalsContact C-N 3.34Å
330	A	98.3	Very high	95.3	Very high	15 Å²	15	38.2 Å²	38.2	12%	0.124	19%	0.189	C	C	.	.			trans	-144.8	127.1	176.1	0	0	0	0	0	111.4	F298 G328 F332	F298-A330 HydrophobicContact CE1-CB 3.72Å; F298-A330 HydrophobicContact CE2-CB 4.02Å; F298-A330 HydrophobicContact CZ-CB 3.34Å; G328-A330 PolarHBondContact O-N 3.37Å; G328-A330 VanDerWaalsContact O-N 3.15Å; A330-F332 VanDerWaalsContact C-N 3.33Å
331	D	98.5	Very high	94.6	Very high	44 Å²	44	33.4 Å²	33.4	24%	0.235	17%	0.166	C	C	.	.	S	Bend	trans	-83.1	-14.7	-175.7	-53.8	-32.1	0	0	0	113.2	W245 R253 K259 L260	W245-D331 PolarHBondContact NE1-OD1 3.01Å; R253-D331 IonicContact CZ-OD1 3.89Å; R253-D331 IonicContact CZ-OD2 2.74Å; R253-D331 IonicContact NH1-OD1 2.77Å; R253-D331 IonicContact NH1-OD2 3.72Å; R253-D331 PolarHBondContact NH1-OD2 3.38Å; R253-D331 VanDerWaalsContact NH2-CG 3.29Å; R253-D331 IonicContact NH2-OD1 2.89Å; R253-D331 PolarHBondContact NH2-OD1 2.78Å; R253-D331 IonicContact NH2-OD2 2.78Å; R253-D331 PolarHBondContact NH2-OD2 2.75Å; K259-D331 WeakPolarHBondContact CA-OD2 3.14Å; K259-D331 HydrophobicContact CB-CB 3.97Å; K259-D331 HydrophobicContact CD-CB 4.49Å; K259-D331 HydrophobicContact CG-CB 4.18Å; L260-D331 PolarHBondContact N-OD2 3.43Å; L260-D331 PolarHBondContact O-N 3.33Å
332	F	98.7	Very high	94	Very high	1 Å²	1	26.2 Å²	26.2	0%	0.004	13%	0.133	C	C	.	.	S	Bend	trans	-158.2	159.1	176.4	62.4	-84.2	0	0	0	108.9	Y199 I201 K259 S261 F298 A330 A334 P375 F377 I419	Y199-F332 AromaticContact CD1-CE1 3.9Å; Y199-F332 HydrophobicContact CD1-CE1 3.9Å; Y199-F332 HydrophobicContact CD1-CZ 4.06Å; Y199-F332 HydrophobicContact CE1-CE1 4.44Å; I201-F332 HydrophobicContact CD1-CE2 4.12Å; I201-F332 HydrophobicContact CD1-CZ 3.86Å; K259-F332 HydrophobicContact CB-CD1 3.96Å; K259-F332 HydrophobicContact CB-CE1 3.88Å; K259-F332 HydrophobicContact CD-CD1 4.4Å; S261-F332 VanDerWaalsContact CB-O 3.31Å; S261-F332 WeakPolarHBondContact CB-O 3.27Å; S261-F332 PolarHBondContact OG-O 3.48Å; F298-F332 WeakPolarHBondContact CZ-O 3.43Å; A330-F332 VanDerWaalsContact C-N 3.33Å; F332-A334 HydrophobicContact CD2-CB 4.24Å; F332-A334 HydrophobicContact CE2-CB 3.77Å; F332-A334 PolarHBondContact O-N 3.29Å; F332-P375 CarbonylContact C-O 3.54Å; F332-P375 HydrophobicContact CB-CB 4.3Å; F332-P375 WeakPolarHBondContact CB-O 3.43Å; F332-F377 HydrophobicContact CD2-CB 3.7Å; F332-F377 HydrophobicContact CD2-CD1 4.48Å; F332-F377 HydrophobicContact CE2-CB 3.81Å; F332-F377 AromaticContact CE2-CD1 3.87Å; F332-F377 HydrophobicContact CE2-CD1 3.87Å; F332-F377 HydrophobicContact CE2-CG 4.34Å; F332-F377 HydrophobicContact CZ-CD1 4.44Å; F332-I419 HydrophobicContact CB-CD1 4.43Å
333	F	98.8	Very high	93.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	108.4	175.8	-160.1	-74.3	0	0	0	110.1	L264 L290 A294 F298 L335 V367 Y371 P374 P375 I376 F377	L264-F333 HydrophobicContact CD1-CE2 4.37Å; L264-F333 HydrophobicContact CD1-CZ 4.07Å; L290-F333 HydrophobicContact CD1-CE1 4.29Å; L290-F333 HydrophobicContact CD1-CZ 3.9Å; L290-F333 HydrophobicContact CD2-CZ 4.24Å; L290-F333 HydrophobicContact CG-CZ 4.3Å; A294-F333 HydrophobicContact CB-CE2 3.93Å; A294-F333 HydrophobicContact CB-CZ 4.01Å; F298-F333 HydrophobicContact CD1-CD2 4.26Å; F298-F333 AromaticContact CD2-CD2 3.69Å; F298-F333 HydrophobicContact CD2-CD2 3.69Å; F298-F333 AromaticContact CD2-CE2 3.77Å; F298-F333 HydrophobicContact CD2-CE2 3.77Å; F298-F333 HydrophobicContact CE1-CB 4.27Å; F298-F333 HydrophobicContact CE1-CD2 4.04Å; F298-F333 AromaticContact CE2-CD2 3.45Å; F298-F333 HydrophobicContact CE2-CD2 3.45Å; F298-F333 VanDerWaalsContact CE2-CD2 3.45Å; F298-F333 AromaticContact CE2-CE2 3.77Å; F298-F333 HydrophobicContact CE2-CE2 3.77Å; F298-F333 HydrophobicContact CE2-CG 4.22Å; F298-F333 HydrophobicContact CG-CD2 4.11Å; F298-F333 HydrophobicContact CG-CE2 4.44Å; F298-F333 HydrophobicContact CZ-CB 4.04Å; F298-F333 AromaticContact CZ-CD2 3.64Å; F298-F333 HydrophobicContact CZ-CD2 3.64Å; F298-F333 HydrophobicContact CZ-CE2 4.42Å; F298-F333 HydrophobicContact CZ-CG 4.11Å; F333-L335 HydrophobicContact CD1-CB 4.14Å; F333-L335 HydrophobicContact CE1-CB 4.23Å; F333-L335 HydrophobicContact CE1-CD1 4.08Å; F333-L335 PolarHBondContact O-N 3.03Å; F333-V367 HydrophobicContact CB-CG1 4.47Å; F333-V367 HydrophobicContact CD1-CG1 3.72Å; F333-V367 HydrophobicContact CD2-CG1 3.72Å; F333-V367 HydrophobicContact CE1-CG1 3.78Å; F333-V367 HydrophobicContact CE1-CG2 4.07Å; F333-V367 HydrophobicContact CE2-CG1 3.77Å; F333-V367 HydrophobicContact CG-CG1 3.69Å; F333-V367 HydrophobicContact CZ-CG1 3.79Å; F333-V367 HydrophobicContact CZ-CG2 4.07Å; F333-Y371 HydrophobicContact CD2-CD2 4.11Å; F333-Y371 AromaticContact CE2-CD2 3.44Å; F333-Y371 HydrophobicContact CE2-CD2 3.44Å; F333-Y371 VanDerWaalsContact CE2-CD2 3.44Å; F333-Y371 AromaticContact CE2-CE2 3.64Å; F333-Y371 HydrophobicContact CE2-CE2 3.64Å; F333-Y371 HydrophobicContact CE2-CG 4.2Å; F333-Y371 HydrophobicContact CZ-CD2 4.17Å; F333-Y371 HydrophobicContact CZ-CE2 4.01Å; F333-P374 HydrophobicContact CB-CB 4.18Å; F333-P374 HydrophobicContact CB-CG 3.89Å; F333-P374 HydrophobicContact CD2-CG 4.19Å; F333-P374 HydrophobicContact CG-CG 4.38Å; F333-P375 PolarHBondContact N-O 2.91Å; F333-I376 HydrophobicContact CB-CG1 4.26Å; F333-I376 HydrophobicContact CD1-CG2 4.49Å; F333-I376 CarbonylContact O-C 3.51Å; F333-I376 WeakPolarHBondContact O-CA 3.17Å; F333-F377 PolarHBondContact O-N 3.18Å
334	A	98.7	Very high	92.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	101	177	0	0	0	0	0	110.2	I201 M262 A263 L264 F332 F377 V379	I201-A334 HydrophobicContact CD1-CB 3.69Å; M262-A334 WeakPolarHBondContact O-CB 3.33Å; A263-A334 WeakPolarHBondContact CA-O 3.37Å; A263-A334 HydrophobicContact CB-CB 4.4Å; L264-A334 PolarHBondContact N-O 3.35Å; F332-A334 HydrophobicContact CD2-CB 4.24Å; F332-A334 HydrophobicContact CE2-CB 3.77Å; F332-A334 PolarHBondContact O-N 3.29Å; A334-F377 CarbonylContact C-O 3.5Å; A334-F377 WeakPolarHBondContact CA-O 3.4Å; A334-V379 HydrophobicContact CB-CB 4.47Å; A334-V379 HydrophobicContact CB-CG1 3.7Å; A334-V379 HydrophobicContact CB-CG2 3.93Å
335	L	98.6	Very high	91.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	131.3	-176.8	-178.3	67.3	0	0	0	111.8	F333 L360 L363 L364 I376 F377 V378 V379	F333-L335 HydrophobicContact CD1-CB 4.14Å; F333-L335 HydrophobicContact CE1-CB 4.23Å; F333-L335 HydrophobicContact CE1-CD1 4.08Å; F333-L335 PolarHBondContact O-N 3.03Å; L335-L360 HydrophobicContact CD2-CD1 4.04Å; L335-L363 HydrophobicContact CD1-CD2 4.24Å; L335-L363 HydrophobicContact CD2-CD2 4.2Å; L335-L363 HydrophobicContact CD2-CG 4.29Å; L335-L364 HydrophobicContact CD2-CD2 3.69Å; L335-L364 HydrophobicContact CD2-CG 4.36Å; L335-I376 HydrophobicContact CB-CG2 4.09Å; L335-F377 PolarHBondContact N-O 3.43Å; L335-V378 CarbonylContact O-C 3.45Å; L335-V378 WeakPolarHBondContact O-CA 3.35Å; L335-V379 WeakPolarHBondContact O-CG2 3.06Å; L335-V379 PolarHBondContact O-N 3.33Å
336	S	97	Very high	91.4	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.014	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.1	167.6	179	0	0	0	0	109.9	L264 A265 S266 Q380	L264-S336 PolarHBondContact O-N 2.76Å; A265-S336 VanDerWaalsContact CA-O 3.22Å; A265-S336 WeakPolarHBondContact CA-O 3.39Å; S266-S336 PolarHBondContact N-O 2.82Å; S336-Q380 WeakPolarHBondContact CA-O 3.44Å; S336-Q380 WeakPolarHBondContact OG-CB 3.46Å
337	H	94.6	Very high	90.7	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.009	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	120.4	-179.4	179.4	73.2	0	0	0	111.4	S266 L360 L363 Q380 S381 F403	S266-H337 PolarHBondContact O-ND1 3.09Å; S266-H337 VanDerWaalsContact O-ND1 3.11Å; H337-L360 HydrophobicContact CB-CD1 3.89Å; H337-L363 HydrophobicContact CB-CD2 4.27Å; H337-Q380 PolarHBondContact N-O 3.46Å; H337-S381 WeakPolarHBondContact O-CA 3.2Å; H337-S381 VanDerWaalsContact O-CB 3.31Å; H337-S381 WeakPolarHBondContact O-CB 3.39Å; H337-S381 PolarHBondContact O-OG 3.06Å; H337-F403 AromaticContact CD2-CE1 3.82Å; H337-F403 AromaticContact NE2-CE1 3.64Å
338	G	87	Confident	90.1	Very high	5 Å²	5	23.1 Å²	23.1	5%	0.052	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.3	-155.5	178	0	0	0	0	0	112.2	T340 L341 S342	G338-T340 PolarHBondContact O-N 3.24Å; G338-L341 PolarHBondContact O-N 3.47Å; G338-S342 PolarHBondContact O-N 3.02Å; G338-S342 VanDerWaalsContact O-N 3.12Å
339	A	85.6	Confident	89.6	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	0.6	-171.1	0	0	0	0	0	116.7	G382 W383 Y384 R434	A339-G382 PolarHBondContact N-O 3.09Å; A339-W383 HydrophobicContact CB-CD2 4.22Å; A339-W383 HydrophobicContact CB-CE3 3.71Å; A339-W383 HydrophobicContact CB-CH2 4.45Å; A339-W383 HydrophobicContact CB-CZ3 3.83Å; A339-Y384 HydrophobicContact CB-CD1 3.5Å; A339-Y384 VanDerWaalsContact CB-CD1 3.5Å; A339-Y384 HydrophobicContact CB-CE1 4.09Å; A339-R434 PolarHBondContact O-NH2 3.48Å
340	T	80.5	Confident	89.2	Confident	9 Å²	9	25.5 Å²	25.5	6%	0.055	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-44.3	174.9	-63.6	0	0	0	0	111.3	W160 G338 L345 Q380 R440	W160-T340 HydrophobicContact CH2-CG2 3.79Å; W160-T340 HydrophobicContact CZ2-CG2 4.27Å; G338-T340 PolarHBondContact O-N 3.24Å; T340-L345 VanDerWaalsContact O-CD1 3.32Å; T340-L345 WeakPolarHBondContact O-CD1 3.29Å; T340-L345 WeakPolarHBondContact O-CG 3.43Å; T340-Q380 PolarHBondContact OG1-NE2 3.44Å; T340-R440 PolarHBondContact OG1-NH2 3.48Å
341	L	81.4	Confident	88.9	Confident	4 Å²	4	26.5 Å²	26.5	2%	0.021	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-49.2	177.2	-73.9	-174.5	0	0	0	111.8	F207 V208 A265 V289 G338 F343 Q344 L345 I346	F207-L341 HydrophobicContact CD1-CD1 4.28Å; F207-L341 HydrophobicContact CD1-CD2 3.8Å; F207-L341 HydrophobicContact CE1-CD2 3.91Å; V208-L341 HydrophobicContact CG2-CD2 3.42Å; V208-L341 VanDerWaalsContact CG2-CD2 3.42Å; V208-L341 HydrophobicContact CG2-CG 4.36Å; A265-L341 HydrophobicContact CB-CD1 3.37Å; A265-L341 HydrophobicContact CB-CG 3.97Å; V289-L341 HydrophobicContact CG1-CD1 3.94Å; G338-L341 PolarHBondContact O-N 3.47Å; L341-F343 PolarHBondContact O-N 2.92Å; L341-Q344 PolarHBondContact O-N 3.08Å; L341-Q344 VanDerWaalsContact O-N 3.08Å; L341-L345 HydrophobicContact CD2-CB 3.88Å; L341-L345 HydrophobicContact CD2-CD1 4.47Å; L341-L345 PolarHBondContact O-N 3.23Å; L341-I346 HydrophobicContact CB-CD1 4.37Å; L341-I346 HydrophobicContact CB-CG1 4.23Å; L341-I346 HydrophobicContact CD1-CD1 4.46Å; L341-I346 HydrophobicContact CD2-CD1 4.21Å; L341-I346 PolarHBondContact O-N 3.36Å
342	S	81.9	Confident	88.6	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	125.8	-166.9	-65.8	0	0	0	0	112.4	G338 Q344 E356	G338-S342 PolarHBondContact O-N 3.02Å; G338-S342 VanDerWaalsContact O-N 3.12Å; S342-Q344 PolarHBondContact O-N 3.32Å; S342-E356 WeakPolarHBondContact CA-OE1 2.96Å
343	F	81.3	Confident	88.3	Confident	95 Å²	95	29 Å²	29	42%	0.417	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	16.2	-177.2	-56.6	-87.1	0	0	0	114.8	L341 E356 L358 W383	L341-F343 PolarHBondContact O-N 2.92Å; F343-E356 HydrophobicContact CD1-CB 4.41Å; F343-E356 HydrophobicContact CD1-CG 4.33Å; F343-E356 HydrophobicContact CD2-CG 4.38Å; F343-E356 HydrophobicContact CE1-CB 3.83Å; F343-E356 HydrophobicContact CE1-CG 3.96Å; F343-E356 HydrophobicContact CE2-CG 3.96Å; F343-E356 HydrophobicContact CZ-CB 3.96Å; F343-E356 HydrophobicContact CZ-CG 3.77Å; F343-E356 WeakPolarHBondContact CZ-O 3.35Å; F343-E356 VanDerWaalsContact N-CD 3.3Å; F343-E356 PolarHBondContact N-OE1 3.26Å; F343-E356 PolarHBondContact N-OE2 2.9Å; F343-L358 HydrophobicContact CD2-CD2 3.89Å; F343-L358 HydrophobicContact CD2-CG 4.35Å; F343-L358 HydrophobicContact CE2-CD1 4.35Å; F343-L358 HydrophobicContact CE2-CD2 3.55Å; F343-L358 HydrophobicContact CE2-CG 3.65Å; F343-W383 HydrophobicContact CD2-CH2 4.18Å
344	Q	81.6	Confident	88.1	Confident	67 Å²	67	30.1 Å²	30.1	31%	0.313	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.9	-66.6	-176.2	-61	-65.8	-71.3	0	0	111.5	L341 S342 R434	L341-Q344 PolarHBondContact O-N 3.08Å; L341-Q344 VanDerWaalsContact O-N 3.08Å; S342-Q344 PolarHBondContact O-N 3.32Å; Q344-R434 VanDerWaalsContact CD-NH1 3.28Å
345	L	83.4	Confident	87.9	Confident	11 Å²	11	34.6 Å²	34.6	6%	0.058	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-5.5	-173.2	-70.4	-176.4	0	0	0	112.8	V208 H212 V218 T340 L341	V208-L345 HydrophobicContact CG1-CD1 4.03Å; V208-L345 HydrophobicContact CG2-CD1 3.86Å; H212-L345 PolarHBondContact CE1-O 2.97Å; H212-L345 WeakPolarHBondContact NE2-CB 3.31Å; H212-L345 PolarHBondContact NE2-O 2.69Å; V218-L345 HydrophobicContact CG1-CD2 4.03Å; T340-L345 VanDerWaalsContact O-CD1 3.32Å; T340-L345 WeakPolarHBondContact O-CD1 3.29Å; T340-L345 WeakPolarHBondContact O-CG 3.43Å; L341-L345 HydrophobicContact CD2-CB 3.88Å; L341-L345 HydrophobicContact CD2-CD1 4.47Å; L341-L345 PolarHBondContact O-N 3.23Å
346	I	85.5	Confident	87.7	Confident	7 Å²	7	35.6 Å²	35.6	4%	0.036	20%	0.197	C	C	.	.			trans	-88.4	113.3	171.5	-56.6	-54	0	0	0	110.4	F207 H267 V289 L341 L350 K351	F207-I346 HydrophobicContact CE1-CD1 4.02Å; F207-I346 HydrophobicContact CZ-CD1 4.19Å; H267-I346 HydrophobicContact CB-CG1 4Å; V289-I346 HydrophobicContact CG1-CD1 4.11Å; V289-I346 HydrophobicContact CG2-CD1 3.96Å; L341-I346 HydrophobicContact CB-CD1 4.37Å; L341-I346 HydrophobicContact CB-CG1 4.23Å; L341-I346 HydrophobicContact CD1-CD1 4.46Å; L341-I346 HydrophobicContact CD2-CD1 4.21Å; L341-I346 PolarHBondContact O-N 3.36Å; I346-L350 HydrophobicContact CG2-CB 4.22Å; I346-K351 HydrophobicContact CG2-CG 3.94Å; I346-K351 WeakPolarHBondContact O-CE 3.39Å
347	N	82.4	Confident	87.5	Confident	60 Å²	60	37.3 Å²	37.3	32%	0.321	21%	0.206	S	C	.	.			trans	-85.8	169.1	177.1	69	5.8	0	0	0	112.2	S349 L350 K351	N347-S349 VanDerWaalsContact C-N 3.27Å; N347-S349 VanDerWaalsContact CG-OG 3.31Å; N347-S349 PolarHBondContact ND2-OG 3.43Å; N347-S349 PolarHBondContact O-N 3.17Å; N347-S349 PolarHBondContact OD1-OG 3.22Å; N347-L350 PolarHBondContact O-N 3.32Å; N347-L350 WeakPolarHBondContact OD1-CB 3.36Å; N347-L350 VanDerWaalsContact OD1-CG 3.23Å; N347-L350 WeakPolarHBondContact OD1-CG 3.42Å; N347-L350 PolarHBondContact OD1-N 3.14Å; N347-L350 VanDerWaalsContact OD1-N 3.1Å; N347-K351 WeakPolarHBondContact O-CG 3.49Å; N347-K351 PolarHBondContact O-N 3.16Å
348	D	83.2	Confident	87.4	Confident	121 Å²	121	37.8 Å²	37.8	65%	0.647	21%	0.209	S	C	*	.	H	α-helix	trans	-67.7	-25.3	-175.9	-67.1	-20.9	0	0	0	113.7	L350 K351 F352	D348-L350 VanDerWaalsContact C-N 3.29Å; D348-L350 PolarHBondContact O-N 3.07Å; D348-K351 PolarHBondContact O-N 2.94Å; D348-K351 IonicContact OD1-NZ 2.78Å; D348-K351 PolarHBondContact OD1-NZ 2.77Å; D348-F352 PolarHBondContact O-N 3.06Å
349	S	86.5	Confident	87.7	Confident	75 Å²	75	37.9 Å²	37.9	52%	0.524	21%	0.208	S	C	.	.	H	α-helix	trans	-67.9	-30.5	175.7	64.9	0	0	0	0	112.4	N347 F352	N347-S349 VanDerWaalsContact C-N 3.27Å; N347-S349 VanDerWaalsContact CG-OG 3.31Å; N347-S349 PolarHBondContact ND2-OG 3.43Å; N347-S349 PolarHBondContact O-N 3.17Å; N347-S349 PolarHBondContact OD1-OG 3.22Å; S349-F352 WeakPolarHBondContact O-CD1 3.45Å; S349-F352 WeakPolarHBondContact O-CE1 3.27Å
350	L	89.9	Confident	88.2	Confident	17 Å²	17	37.9 Å²	37.9	9%	0.089	21%	0.208	C	C	.	.	H	α-helix	trans	-84.5	-13.5	175.5	-68	172.2	0	0	0	113.4	F207 S285 H288 V289 I346 N347 D348	F207-L350 HydrophobicContact CE2-CD1 4.22Å; F207-L350 HydrophobicContact CZ-CD1 3.67Å; S285-L350 VanDerWaalsContact CB-O 3.27Å; S285-L350 WeakPolarHBondContact CB-O 3.28Å; S285-L350 PolarHBondContact OG-O 3.29Å; H288-L350 HydrophobicContact CB-CD2 3.98Å; V289-L350 HydrophobicContact CG2-CD1 4.5Å; I346-L350 HydrophobicContact CG2-CB 4.22Å; N347-L350 PolarHBondContact O-N 3.32Å; N347-L350 WeakPolarHBondContact OD1-CB 3.36Å; N347-L350 VanDerWaalsContact OD1-CG 3.23Å; N347-L350 WeakPolarHBondContact OD1-CG 3.42Å; N347-L350 PolarHBondContact OD1-N 3.14Å; N347-L350 VanDerWaalsContact OD1-N 3.1Å; D348-L350 VanDerWaalsContact C-N 3.29Å; D348-L350 PolarHBondContact O-N 3.07Å
351	K	91.9	Very high	89	Confident	37 Å²	37	37.5 Å²	37.5	16%	0.161	21%	0.206	C	C	.	.	H	α-helix	trans	-83.3	-18.3	174.4	-64.1	173.3	-161.5	160.6	0	113	I269 I346 N347 D348 G353 Q354 E356	I269-K351 HydrophobicContact CD1-CB 4.15Å; I269-K351 HydrophobicContact CD1-CG 4.24Å; I346-K351 HydrophobicContact CG2-CG 3.94Å; I346-K351 WeakPolarHBondContact O-CE 3.39Å; N347-K351 WeakPolarHBondContact O-CG 3.49Å; N347-K351 PolarHBondContact O-N 3.16Å; D348-K351 PolarHBondContact O-N 2.94Å; D348-K351 IonicContact OD1-NZ 2.78Å; D348-K351 PolarHBondContact OD1-NZ 2.77Å; K351-G353 PolarHBondContact O-N 3.27Å; K351-Q354 VanDerWaalsContact O-CB 3.31Å; K351-Q354 WeakPolarHBondContact O-CB 3.49Å; K351-Q354 WeakPolarHBondContact O-CG 3.43Å; K351-Q354 PolarHBondContact O-N 3.11Å; K351-E356 WeakPolarHBondContact CE-OE2 3.34Å; K351-E356 IonicContact NZ-OE2 3.91Å
352	F	93.1	Very high	89.8	Confident	48 Å²	48	37.9 Å²	37.9	21%	0.211	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	42.9	-177.8	-56.6	-56.5	0	0	0	113.4	E281 C284 H288 D348 S349 Q354	E281-F352 HydrophobicContact CB-CB 3.93Å; E281-F352 HydrophobicContact CG-CB 4.33Å; E281-F352 VanDerWaalsContact OE2-CB 3.3Å; E281-F352 WeakPolarHBondContact OE2-CB 3.5Å; E281-F352 WeakPolarHBondContact OE2-CG 3.24Å; C284-F352 HydrophobicContact CB-CD2 4.31Å; C284-F352 HydrophobicContact CB-CE2 4.14Å; H288-F352 AromaticContact CE1-CZ 3.94Å; H288-F352 AromaticContact CG-CZ 3.96Å; H288-F352 AromaticContact ND1-CE2 3.83Å; H288-F352 AromaticContact ND1-CZ 3.82Å; D348-F352 PolarHBondContact O-N 3.06Å; S349-F352 WeakPolarHBondContact O-CD1 3.45Å; S349-F352 WeakPolarHBondContact O-CE1 3.27Å; F352-Q354 PolarHBondContact O-N 3.06Å; F352-Q354 PolarHBondContact O-NE2 3.16Å
353	G	92	Very high	90.6	Very high	50 Å²	50	37.9 Å²	37.9	52%	0.515	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	10.2	179.2	0	0	0	0	0	115.5	K351	K351-G353 PolarHBondContact O-N 3.27Å
354	Q	94.6	Very high	91.4	Very high	22 Å²	22	33.4 Å²	33.4	10%	0.103	19%	0.188	C	C	.	.			trans	-94	177	176.9	-49.8	-46.5	-53.4	0	0	111.4	I269 E281 K351 F352	I269-Q354 HydrophobicContact CD1-CB 3.85Å; I269-Q354 HydrophobicContact CG1-CB 3.51Å; I269-Q354 HydrophobicContact CG1-CG 4.48Å; E281-Q354 HydrophobicContact CB-CG 3.92Å; K351-Q354 VanDerWaalsContact O-CB 3.31Å; K351-Q354 WeakPolarHBondContact O-CB 3.49Å; K351-Q354 WeakPolarHBondContact O-CG 3.43Å; K351-Q354 PolarHBondContact O-N 3.11Å; F352-Q354 PolarHBondContact O-N 3.06Å; F352-Q354 PolarHBondContact O-NE2 3.16Å
355	L	93.6	Very high	92.1	Very high	94 Å²	94	32.5 Å²	32.5	49%	0.492	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.6	-172.7	-60	175.2	0	0	0	111	I269 K270 R272	I269-L355 CarbonylContact C-O 3.59Å; I269-L355 WeakPolarHBondContact CA-O 3.5Å; I269-L355 VanDerWaalsContact CD1-C 3.47Å; I269-L355 VanDerWaalsContact CD1-O 3.32Å; I269-L355 WeakPolarHBondContact CD1-O 3.46Å; K270-L355 PolarHBondContact N-O 3.38Å; K270-L355 PolarHBondContact O-N 2.98Å; R272-L355 HydrophobicContact CB-CG 4.43Å
356	E	93.9	Very high	92.8	Very high	22 Å²	22	32 Å²	32	10%	0.103	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	145	174.3	-169.3	172.4	-170.8	0	0	111.6	H267 S342 F343 K351	H267-E356 HydrophobicContact CB-CG 4.5Å; S342-E356 WeakPolarHBondContact CA-OE1 2.96Å; F343-E356 HydrophobicContact CD1-CB 4.41Å; F343-E356 HydrophobicContact CD1-CG 4.33Å; F343-E356 HydrophobicContact CD2-CG 4.38Å; F343-E356 HydrophobicContact CE1-CB 3.83Å; F343-E356 HydrophobicContact CE1-CG 3.96Å; F343-E356 HydrophobicContact CE2-CG 3.96Å; F343-E356 HydrophobicContact CZ-CB 3.96Å; F343-E356 HydrophobicContact CZ-CG 3.77Å; F343-E356 WeakPolarHBondContact CZ-O 3.35Å; F343-E356 VanDerWaalsContact N-CD 3.3Å; F343-E356 PolarHBondContact N-OE1 3.26Å; F343-E356 PolarHBondContact N-OE2 2.9Å; K351-E356 WeakPolarHBondContact CE-OE2 3.34Å; K351-E356 IonicContact NZ-OE2 3.91Å
357	D	92.7	Very high	93.4	Very high	38 Å²	38	31.6 Å²	31.6	20%	0.203	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	169.8	179.2	-158.5	-45.3	0	0	0	110.7	W268 K270 R402	W268-D357 PolarHBondContact O-N 2.59Å; K270-D357 HydrophobicContact CD-CB 4.19Å; K270-D357 WeakPolarHBondContact CD-OD2 3.4Å; K270-D357 WeakPolarHBondContact CE-OD2 3.32Å; K270-D357 HydrophobicContact CG-CB 4.24Å; K270-D357 IonicContact NZ-OD2 2.71Å; K270-D357 PolarHBondContact NZ-OD2 3.1Å; D357-R402 IonicContact OD1-NH2 3.39Å
358	L	93.1	Very high	94.1	Very high	12 Å²	12	29.3 Å²	29.3	6%	0.063	17%	0.165	C	C	.	.			trans	-109.2	33	-178.9	-61.2	176.6	0	0	0	112.2	F343 L360 W383 Y399 R402 F403	F343-L358 HydrophobicContact CD2-CD2 3.89Å; F343-L358 HydrophobicContact CD2-CG 4.35Å; F343-L358 HydrophobicContact CE2-CD1 4.35Å; F343-L358 HydrophobicContact CE2-CD2 3.55Å; F343-L358 HydrophobicContact CE2-CG 3.65Å; L358-L360 PolarHBondContact O-N 2.86Å; L358-L360 VanDerWaalsContact O-N 3.12Å; L358-W383 HydrophobicContact CD1-CH2 4.46Å; L358-W383 HydrophobicContact CD1-CZ3 4.32Å; L358-W383 HydrophobicContact CD2-CH2 4.35Å; L358-W383 HydrophobicContact CD2-CZ3 3.92Å; L358-Y399 HydrophobicContact CD1-CD1 4.18Å; L358-Y399 HydrophobicContact CD1-CE1 3.56Å; L358-R402 PolarHBondContact O-NH2 3.43Å; L358-F403 HydrophobicContact CB-CE1 4.12Å; L358-F403 HydrophobicContact CB-CZ 4.38Å; L358-F403 HydrophobicContact CD2-CZ 4.49Å
359	D	93.3	Very high	94.6	Very high	6 Å²	6	24.8 Å²	24.8	3%	0.032	14%	0.144	C	C	.	.			trans	-84.6	82.3	-176.9	-158.6	-40.4	0	0	0	111.3	K39 W268 R361 M362 L363	K39-D359 IonicContact NZ-OD2 3.95Å; W268-D359 HydrophobicContact CG-CB 4.31Å; D359-R361 VanDerWaalsContact C-N 3.26Å; D359-R361 PolarHBondContact O-N 3.07Å; D359-R361 PolarHBondContact OD1-N 2.88Å; D359-M362 HydrophobicContact CB-CB 4.28Å; D359-M362 HydrophobicContact CB-CG 4.31Å; D359-M362 HydrophobicContact CB-SD 4.31Å; D359-M362 PolarHBondContact O-N 2.83Å; D359-M362 WeakPolarHBondContact OD1-CG 3.48Å; D359-M362 PolarHBondContact OD1-N 3.01Å; D359-M362 VanDerWaalsContact OD1-N 3.08Å; D359-L363 PolarHBondContact O-N 2.93Å
360	L	97	Very high	95.1	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-60.4	-34	179.2	178.3	58.3	0	0	0	112.5	L335 H337 L358 L363 L364 F403 Y421	L335-L360 HydrophobicContact CD2-CD1 4.04Å; H337-L360 HydrophobicContact CB-CD1 3.89Å; L358-L360 PolarHBondContact O-N 2.86Å; L358-L360 VanDerWaalsContact O-N 3.12Å; L360-L363 PolarHBondContact O-N 3.26Å; L360-L364 HydrophobicContact CD1-CD1 4.11Å; L360-L364 HydrophobicContact CD1-CD2 4.49Å; L360-L364 HydrophobicContact CD1-CG 3.94Å; L360-L364 HydrophobicContact CD2-CD1 4.48Å; L360-L364 HydrophobicContact CG-CD1 3.84Å; L360-L364 HydrophobicContact CG-CG 4.18Å; L360-L364 WeakPolarHBondContact O-CB 3.36Å; L360-L364 VanDerWaalsContact O-CG 3.25Å; L360-L364 WeakPolarHBondContact O-CG 3.43Å; L360-L364 PolarHBondContact O-N 3.13Å; L360-F403 HydrophobicContact CB-CD1 4.05Å; L360-F403 HydrophobicContact CD2-CB 3.97Å; L360-F403 HydrophobicContact CD2-CD1 4.22Å; L360-F403 HydrophobicContact CD2-CG 4.45Å; L360-Y421 HydrophobicContact CD2-CE2 4.43Å
361	R	97.4	Very high	95.3	Very high	1 Å²	1	21.2 Å²	21.2	0%	0.004	12%	0.118	C	C	.	.	H	α-helix	trans	-63.2	-46.5	178.9	178.1	-177.9	175.9	-169.9	-2.3	111.4	F30 D38 D359 L363 L364 Y365 E406 D414	F30-R361 HydrophobicContact CE1-CG 3.99Å; F30-R361 HydrophobicContact CZ-CG 4.12Å; D38-R361 PolarHBondContact O-NH1 2.81Å; D359-R361 VanDerWaalsContact C-N 3.26Å; D359-R361 PolarHBondContact O-N 3.07Å; D359-R361 PolarHBondContact OD1-N 2.88Å; R361-L363 VanDerWaalsContact C-N 3.34Å; R361-L364 PolarHBondContact O-N 3.26Å; R361-Y365 PolarHBondContact O-N 2.89Å; R361-E406 HydrophobicContact CB-CB 3.89Å; R361-E406 HydrophobicContact CB-CG 4.45Å; R361-E406 VanDerWaalsContact CB-OE2 3.24Å; R361-E406 WeakPolarHBondContact CB-OE2 3.21Å; R361-E406 WeakPolarHBondContact CD-OE2 3.46Å; R361-D414 VanDerWaalsContact CG-OD2 3.32Å; R361-D414 WeakPolarHBondContact CG-OD2 3.46Å; R361-D414 IonicContact CZ-OD1 2.84Å; R361-D414 IonicContact CZ-OD2 3.97Å; R361-D414 IonicContact NE-OD1 3.13Å; R361-D414 IonicContact NE-OD2 2.83Å; R361-D414 PolarHBondContact NE-OD2 3.37Å; R361-D414 IonicContact NH2-OD1 3.28Å; R361-D414 PolarHBondContact NH2-OD1 3.47Å; R361-D414 IonicContact NH2-OD2 2.83Å; R361-D414 PolarHBondContact NH2-OD2 2.98Å
362	M	97	Very high	95.3	Very high	12 Å²	12	23.4 Å²	23.4	6%	0.059	13%	0.132	C	C	.	.	H	α-helix	trans	-64.2	-40.2	176.3	-69.7	-176.4	78.8	0	0	111.8	T26 F30 W268 D359 Y365 W366	T26-M362 HydrophobicContact CG2-CB 4.33Å; T26-M362 HydrophobicContact CG2-CE 4.28Å; F30-M362 HydrophobicContact CB-CE 3.64Å; F30-M362 HydrophobicContact CB-CG 4.4Å; F30-M362 HydrophobicContact CB-SD 4.24Å; F30-M362 HydrophobicContact CD1-CG 3.55Å; F30-M362 HydrophobicContact CD1-SD 4.29Å; F30-M362 HydrophobicContact CD2-CE 4.29Å; F30-M362 HydrophobicContact CD2-CG 4.1Å; F30-M362 HydrophobicContact CE1-CG 3.7Å; F30-M362 HydrophobicContact CE2-CG 4.22Å; F30-M362 HydrophobicContact CG-CE 3.94Å; F30-M362 HydrophobicContact CG-CG 3.76Å; F30-M362 HydrophobicContact CG-SD 4.25Å; F30-M362 HydrophobicContact CZ-CG 4.03Å; W268-M362 HydrophobicContact CD2-CB 4.15Å; W268-M362 HydrophobicContact CH2-CB 3.97Å; W268-M362 HydrophobicContact CZ2-CB 3.43Å; W268-M362 VanDerWaalsContact CZ2-CB 3.43Å; W268-M362 HydrophobicContact CZ2-CE 3.54Å; W268-M362 HydrophobicContact CZ2-CG 4.27Å; W268-M362 HydrophobicContact CZ2-SD 4.02Å; D359-M362 HydrophobicContact CB-CB 4.28Å; D359-M362 HydrophobicContact CB-CG 4.31Å; D359-M362 HydrophobicContact CB-SD 4.31Å; D359-M362 PolarHBondContact O-N 2.83Å; D359-M362 WeakPolarHBondContact OD1-CG 3.48Å; D359-M362 PolarHBondContact OD1-N 3.01Å; D359-M362 VanDerWaalsContact OD1-N 3.08Å; M362-Y365 PolarHBondContact O-N 2.72Å; M362-W366 WeakPolarHBondContact O-CB 3.41Å; M362-W366 PolarHBondContact O-N 3.09Å
363	L	98.1	Very high	95.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.5	-46.4	176.3	177.5	59.4	0	0	0	112	W268 L290 L335 H337 D359 L360 R361 Y365 W366 V367	W268-L363 HydrophobicContact CD2-CB 4.4Å; W268-L363 HydrophobicContact CE3-CB 3.79Å; W268-L363 HydrophobicContact CE3-CD1 4.02Å; W268-L363 HydrophobicContact CE3-CG 4.49Å; W268-L363 HydrophobicContact CZ3-CB 4.4Å; W268-L363 HydrophobicContact CZ3-CD1 4.42Å; L290-L363 HydrophobicContact CD2-CD1 4.17Å; L335-L363 HydrophobicContact CD1-CD2 4.24Å; L335-L363 HydrophobicContact CD2-CD2 4.2Å; L335-L363 HydrophobicContact CD2-CG 4.29Å; H337-L363 HydrophobicContact CB-CD2 4.27Å; D359-L363 PolarHBondContact O-N 2.93Å; L360-L363 PolarHBondContact O-N 3.26Å; R361-L363 VanDerWaalsContact C-N 3.34Å; L363-Y365 VanDerWaalsContact C-N 3.32Å; L363-Y365 PolarHBondContact O-N 2.82Å; L363-W366 WeakPolarHBondContact O-CB 3.46Å; L363-W366 PolarHBondContact O-N 3.31Å; L363-W366 VanDerWaalsContact O-N 3.16Å; L363-V367 HydrophobicContact CD1-CG2 4.39Å; L363-V367 WeakPolarHBondContact O-CG2 3.26Å; L363-V367 PolarHBondContact O-N 3.04Å
364	L	98.6	Very high	95.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.1	-43.4	175.7	-74.1	168.9	0	0	0	111.7	L335 L360 R361 V367 N368 I376 V378 A407 S410 V416 V418	L335-L364 HydrophobicContact CD2-CD2 3.69Å; L335-L364 HydrophobicContact CD2-CG 4.36Å; L360-L364 HydrophobicContact CD1-CD1 4.11Å; L360-L364 HydrophobicContact CD1-CD2 4.49Å; L360-L364 HydrophobicContact CD1-CG 3.94Å; L360-L364 HydrophobicContact CD2-CD1 4.48Å; L360-L364 HydrophobicContact CG-CD1 3.84Å; L360-L364 HydrophobicContact CG-CG 4.18Å; L360-L364 WeakPolarHBondContact O-CB 3.36Å; L360-L364 VanDerWaalsContact O-CG 3.25Å; L360-L364 WeakPolarHBondContact O-CG 3.43Å; L360-L364 PolarHBondContact O-N 3.13Å; R361-L364 PolarHBondContact O-N 3.26Å; L364-V367 PolarHBondContact O-N 2.98Å; L364-N368 VanDerWaalsContact O-CB 3.29Å; L364-N368 WeakPolarHBondContact O-CB 3.47Å; L364-N368 PolarHBondContact O-N 3.21Å; L364-I376 HydrophobicContact CD2-CD1 4.14Å; L364-I376 HydrophobicContact CD2-CG2 3.77Å; L364-V378 HydrophobicContact CD2-CG2 4.04Å; L364-A407 HydrophobicContact CD1-CB 4.2Å; L364-S410 WeakPolarHBondContact CD1-OG 3.27Å; L364-V416 HydrophobicContact CB-CG1 4.35Å; L364-V418 HydrophobicContact CD1-CG2 4.11Å; L364-V418 HydrophobicContact CD2-CG2 4.04Å
365	Y	97.8	Very high	95.8	Very high	48 Å²	48	26.9 Å²	26.9	19%	0.188	14%	0.138	C	C	.	.	H	α-helix	trans	-65.1	-40	175	-176.8	-88	0	0	0	112.3	T26 R29 F30 R361 M362 L363 N368 A369 D414 V416	T26-Y365 HydrophobicContact CG2-CD1 3.73Å; T26-Y365 HydrophobicContact CG2-CE1 4.48Å; T26-Y365 WeakPolarHBondContact OG1-CD1 3.39Å; R29-Y365 VanDerWaalsContact CD-OH 3.29Å; R29-Y365 WeakPolarHBondContact CD-OH 3.38Å; F30-Y365 AromaticContact CE2-CD1 3.81Å; F30-Y365 HydrophobicContact CE2-CD1 3.81Å; F30-Y365 HydrophobicContact CE2-CD2 4.34Å; F30-Y365 AromaticContact CE2-CG 3.7Å; F30-Y365 HydrophobicContact CE2-CG 3.7Å; F30-Y365 HydrophobicContact CZ-CG 4.27Å; R361-Y365 PolarHBondContact O-N 2.89Å; M362-Y365 PolarHBondContact O-N 2.72Å; L363-Y365 VanDerWaalsContact C-N 3.32Å; L363-Y365 PolarHBondContact O-N 2.82Å; Y365-N368 WeakPolarHBondContact O-CB 3.44Å; Y365-N368 PolarHBondContact O-N 3.33Å; Y365-A369 HydrophobicContact CE1-CB 4.34Å; Y365-A369 WeakPolarHBondContact O-CB 3.27Å; Y365-A369 PolarHBondContact O-N 3.5Å; Y365-D414 HydrophobicContact CD2-CB 3.91Å; Y365-V416 HydrophobicContact CD2-CG2 4.31Å
366	W	97.8	Very high	96.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.8	-46.9	177	-179.4	98.7	0	0	0	111	G23 T26 W268 L286 L290 M362 L363 N368 A369 E370 Y371	G23-W366 VanDerWaalsContact C-CD1 3.49Å; G23-W366 VanDerWaalsContact CA-CD1 3.49Å; G23-W366 VanDerWaalsContact O-CD1 3.25Å; T26-W366 HydrophobicContact CG2-CB 4.3Å; W268-W366 HydrophobicContact CH2-CB 4.07Å; W268-W366 HydrophobicContact CH2-CG 4.42Å; W268-W366 HydrophobicContact CZ3-CB 3.74Å; W268-W366 HydrophobicContact CZ3-CG 4.05Å; L286-W366 HydrophobicContact CB-CH2 4.18Å; L286-W366 HydrophobicContact CB-CZ2 3.86Å; L286-W366 HydrophobicContact CD1-CD2 3.86Å; L286-W366 HydrophobicContact CD1-CG 4.02Å; L286-W366 HydrophobicContact CD1-CZ2 4.07Å; L290-W366 HydrophobicContact CD2-CE3 4.21Å; L290-W366 HydrophobicContact CD2-CH2 4.5Å; L290-W366 HydrophobicContact CD2-CZ3 3.61Å; L290-W366 HydrophobicContact CG-CZ3 4.26Å; M362-W366 WeakPolarHBondContact O-CB 3.41Å; M362-W366 PolarHBondContact O-N 3.09Å; L363-W366 WeakPolarHBondContact O-CB 3.46Å; L363-W366 PolarHBondContact O-N 3.31Å; L363-W366 VanDerWaalsContact O-N 3.16Å; W366-N368 VanDerWaalsContact C-N 3.32Å; W366-N368 PolarHBondContact O-N 3.5Å; W366-A369 PolarHBondContact O-N 3.04Å; W366-A369 VanDerWaalsContact O-N 3.15Å; W366-E370 HydrophobicContact CD2-CB 4.4Å; W366-E370 HydrophobicContact CE3-CB 4.39Å; W366-E370 HydrophobicContact CH2-CB 4.33Å; W366-E370 HydrophobicContact CH2-CG 4.03Å; W366-E370 HydrophobicContact CZ2-CB 4.36Å; W366-E370 HydrophobicContact CZ2-CG 4.03Å; W366-E370 HydrophobicContact CZ3-CB 4.34Å; W366-E370 HydrophobicContact CZ3-CG 4.49Å; W366-E370 WeakPolarHBondContact O-CB 3.27Å; W366-E370 PolarHBondContact O-N 2.95Å; W366-Y371 HydrophobicContact CE3-CE2 4.44Å; W366-Y371 HydrophobicContact CH2-CE2 4.12Å; W366-Y371 WeakPolarHBondContact CH2-OH 3.41Å; W366-Y371 AromaticContact CZ3-CE2 3.6Å; W366-Y371 HydrophobicContact CZ3-CE2 3.6Å; W366-Y371 AromaticContact CZ3-CZ 3.99Å
367	V	97.6	Very high	96.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-58.4	-46.6	175.5	169.8	0	0	0	0	110.5	L290 F333 L363 L364 A369 E370 Y371 P374 I376	L290-V367 HydrophobicContact CD2-CG2 3.88Å; F333-V367 HydrophobicContact CB-CG1 4.47Å; F333-V367 HydrophobicContact CD1-CG1 3.72Å; F333-V367 HydrophobicContact CD2-CG1 3.72Å; F333-V367 HydrophobicContact CE1-CG1 3.78Å; F333-V367 HydrophobicContact CE1-CG2 4.07Å; F333-V367 HydrophobicContact CE2-CG1 3.77Å; F333-V367 HydrophobicContact CG-CG1 3.69Å; F333-V367 HydrophobicContact CZ-CG1 3.79Å; F333-V367 HydrophobicContact CZ-CG2 4.07Å; L363-V367 HydrophobicContact CD1-CG2 4.39Å; L363-V367 WeakPolarHBondContact O-CG2 3.26Å; L363-V367 PolarHBondContact O-N 3.04Å; L364-V367 PolarHBondContact O-N 2.98Å; V367-A369 VanDerWaalsContact C-N 3.29Å; V367-A369 PolarHBondContact O-N 3.05Å; V367-E370 PolarHBondContact O-N 3.04Å; V367-Y371 HydrophobicContact CB-CD2 4.45Å; V367-Y371 HydrophobicContact CG1-CD2 4Å; V367-Y371 WeakPolarHBondContact O-CD2 3.29Å; V367-Y371 PolarHBondContact O-N 2.92Å; V367-P374 HydrophobicContact CG1-CG 4.43Å; V367-I376 HydrophobicContact CB-CD1 4.04Å; V367-I376 HydrophobicContact CG1-CD1 3.62Å; V367-I376 HydrophobicContact CG1-CG1 4.19Å
368	N	96.3	Very high	96.6	Very high	12 Å²	12	19.6 Å²	19.6	6%	0.064	10%	0.1	C	C	.	.	H	α-helix	trans	-60.6	-37.1	177.6	180	86.1	0	0	0	112.8	L364 Y365 W366 K373 V416	L364-N368 VanDerWaalsContact O-CB 3.29Å; L364-N368 WeakPolarHBondContact O-CB 3.47Å; L364-N368 PolarHBondContact O-N 3.21Å; Y365-N368 WeakPolarHBondContact O-CB 3.44Å; Y365-N368 PolarHBondContact O-N 3.33Å; W366-N368 VanDerWaalsContact C-N 3.32Å; W366-N368 PolarHBondContact O-N 3.5Å; N368-K373 WeakPolarHBondContact O-CA 3.33Å; N368-K373 PolarHBondContact O-N 2.96Å; N368-K373 WeakPolarHBondContact OD1-CA 3.25Å; N368-K373 WeakPolarHBondContact OD1-CB 3.21Å; N368-V416 HydrophobicContact CB-CB 4.46Å; N368-V416 HydrophobicContact CB-CG1 3.89Å; N368-V416 HydrophobicContact CB-CG2 3.99Å
369	A	95.3	Very high	96.9	Very high	25 Å²	25	19 Å²	19	21%	0.207	10%	0.097	C	C	.	.	H	α-helix	trans	-77.7	-41.8	178.5	0	0	0	0	0	112.7	A22 Y365 W366 V367	A22-A369 WeakPolarHBondContact CB-O 3.39Å; Y365-A369 HydrophobicContact CE1-CB 4.34Å; Y365-A369 WeakPolarHBondContact O-CB 3.27Å; Y365-A369 PolarHBondContact O-N 3.5Å; W366-A369 PolarHBondContact O-N 3.04Å; W366-A369 VanDerWaalsContact O-N 3.15Å; V367-A369 VanDerWaalsContact C-N 3.29Å; V367-A369 PolarHBondContact O-N 3.05Å
370	E	95.4	Very high	97	Very high	8 Å²	8	18.9 Å²	18.9	4%	0.037	10%	0.096	C	C	.	.	H	α-helix	trans	-74.4	-34.9	-173.8	-166.5	65.2	-156.8	0	0	112.5	H21 A22 G23 W366 V367	H21-E370 WeakPolarHBondContact CA-OE2 3.35Å; H21-E370 PolarHBondContact N-OE1 2.85Å; A22-E370 PolarHBondContact N-OE2 2.96Å; A22-E370 VanDerWaalsContact N-OE2 3.15Å; G23-E370 WeakPolarHBondContact CA-OE2 3.45Å; G23-E370 PolarHBondContact N-OE2 3.36Å; W366-E370 HydrophobicContact CD2-CB 4.4Å; W366-E370 HydrophobicContact CE3-CB 4.39Å; W366-E370 HydrophobicContact CH2-CB 4.33Å; W366-E370 HydrophobicContact CH2-CG 4.03Å; W366-E370 HydrophobicContact CZ2-CB 4.36Å; W366-E370 HydrophobicContact CZ2-CG 4.03Å; W366-E370 HydrophobicContact CZ3-CB 4.34Å; W366-E370 HydrophobicContact CZ3-CG 4.49Å; W366-E370 WeakPolarHBondContact O-CB 3.27Å; W366-E370 PolarHBondContact O-N 2.95Å; V367-E370 PolarHBondContact O-N 3.04Å
371	Y	95.4	Very high	97	Very high	9 Å²	9	18.9 Å²	18.9	4%	0.035	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	28.8	-170.1	-54.9	-59.4	0	0	0	114.2	A294 R295 F298 F333 W366 V367 P374	A294-Y371 HydrophobicContact CB-CE1 4.07Å; A294-Y371 HydrophobicContact CB-CE2 3.83Å; A294-Y371 VanDerWaalsContact CB-CZ 3.48Å; A294-Y371 WeakPolarHBondContact CB-OH 3.2Å; R295-Y371 HydrophobicContact CB-CE1 4.44Å; F298-Y371 HydrophobicContact CB-CD1 3.83Å; F298-Y371 HydrophobicContact CB-CG 4.03Å; F333-Y371 HydrophobicContact CD2-CD2 4.11Å; F333-Y371 AromaticContact CE2-CD2 3.44Å; F333-Y371 HydrophobicContact CE2-CD2 3.44Å; F333-Y371 VanDerWaalsContact CE2-CD2 3.44Å; F333-Y371 AromaticContact CE2-CE2 3.64Å; F333-Y371 HydrophobicContact CE2-CE2 3.64Å; F333-Y371 HydrophobicContact CE2-CG 4.2Å; F333-Y371 HydrophobicContact CZ-CD2 4.17Å; F333-Y371 HydrophobicContact CZ-CE2 4.01Å; W366-Y371 HydrophobicContact CE3-CE2 4.44Å; W366-Y371 HydrophobicContact CH2-CE2 4.12Å; W366-Y371 WeakPolarHBondContact CH2-OH 3.41Å; W366-Y371 AromaticContact CZ3-CE2 3.6Å; W366-Y371 HydrophobicContact CZ3-CE2 3.6Å; W366-Y371 AromaticContact CZ3-CZ 3.99Å; V367-Y371 HydrophobicContact CB-CD2 4.45Å; V367-Y371 HydrophobicContact CG1-CD2 4Å; V367-Y371 WeakPolarHBondContact O-CD2 3.29Å; V367-Y371 PolarHBondContact O-N 2.92Å; Y371-P374 WeakPolarHBondContact O-CD 3.19Å
372	D	91.6	Very high	96.8	Very high	84 Å²	84	18.8 Å²	18.8	45%	0.449	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	50.5	176.8	-159.4	30.8	0	0	0	114.7	S16 A18	S16-D372 PolarHBondContact OG-OD2 3.19Å; S16-D372 VanDerWaalsContact OG-OD2 3.06Å; A18-D372 HydrophobicContact CB-CB 4.42Å
373	K	95.4	Very high	96.7	Very high	140 Å²	140	19 Å²	19	61%	0.609	10%	0.096	S	C	*	.	S	Bend	trans	54.8	51.8	171	-50	178.7	-175.7	171.8	0	114.5	N368	N368-K373 WeakPolarHBondContact O-CA 3.33Å; N368-K373 PolarHBondContact O-N 2.96Å; N368-K373 WeakPolarHBondContact OD1-CA 3.25Å; N368-K373 WeakPolarHBondContact OD1-CB 3.21Å
374	P	97.1	Very high	96.6	Very high	12 Å²	12	21 Å²	21	8%	0.078	10%	0.104	C	C	.	.			trans	-67.9	157.3	179.5	32.5	-33.9	0	0	0	110.3	F333 V367 Y371 I376	F333-P374 HydrophobicContact CB-CB 4.18Å; F333-P374 HydrophobicContact CB-CG 3.89Å; F333-P374 HydrophobicContact CD2-CG 4.19Å; F333-P374 HydrophobicContact CG-CG 4.38Å; V367-P374 HydrophobicContact CG1-CG 4.43Å; Y371-P374 WeakPolarHBondContact O-CD 3.19Å; P374-I376 HydrophobicContact CG-CG1 4.44Å; P374-I376 WeakPolarHBondContact O-CG1 3.37Å; P374-I376 PolarHBondContact O-N 3.26Å
375	P	98.4	Very high	96.4	Very high	41 Å²	41	21.1 Å²	21.1	27%	0.266	10%	0.104	S	C	.	.			trans	-60.6	124.2	163.4	-16.4	29.5	0	0	0	109.4	F332 F333 N417 I419	F332-P375 CarbonylContact C-O 3.54Å; F332-P375 HydrophobicContact CB-CB 4.3Å; F332-P375 WeakPolarHBondContact CB-O 3.43Å; F333-P375 PolarHBondContact N-O 2.91Å; P375-N417 CarbonylContact C-O 3.5Å; P375-N417 WeakPolarHBondContact CA-O 3.3Å; P375-I419 HydrophobicContact CB-CD1 4.03Å; P375-I419 HydrophobicContact CB-CG2 4Å
376	I	98.9	Very high	96.3	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	120.1	-177.1	-51.2	179.8	0	0	0	109.8	F333 L335 L364 V367 P374 V416 N417 V418 I419	F333-I376 HydrophobicContact CB-CG1 4.26Å; F333-I376 HydrophobicContact CD1-CG2 4.49Å; F333-I376 CarbonylContact O-C 3.51Å; F333-I376 WeakPolarHBondContact O-CA 3.17Å; L335-I376 HydrophobicContact CB-CG2 4.09Å; L364-I376 HydrophobicContact CD2-CD1 4.14Å; L364-I376 HydrophobicContact CD2-CG2 3.77Å; V367-I376 HydrophobicContact CB-CD1 4.04Å; V367-I376 HydrophobicContact CG1-CD1 3.62Å; V367-I376 HydrophobicContact CG1-CG1 4.19Å; P374-I376 HydrophobicContact CG-CG1 4.44Å; P374-I376 WeakPolarHBondContact O-CG1 3.37Å; P374-I376 PolarHBondContact O-N 3.26Å; I376-V416 HydrophobicContact CD1-CG1 3.67Å; I376-N417 PolarHBondContact N-O 3.13Å; I376-V418 CarbonylContact O-C 3.31Å; I376-V418 VanDerWaalsContact O-CA 3.31Å; I376-V418 WeakPolarHBondContact O-CA 3.36Å; I376-I419 WeakPolarHBondContact O-CG1 3.43Å; I376-I419 PolarHBondContact O-N 3.28Å
377	F	98.8	Very high	96	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	115	167.5	-171.3	-179.7	0	0	0	108.3	M51 A53 V154 F332 F333 A334 L335 V379 I419 G420 T422	M51-F377 HydrophobicContact CE-CD1 3.92Å; M51-F377 HydrophobicContact CE-CD2 4.45Å; M51-F377 HydrophobicContact CE-CE1 4.09Å; M51-F377 HydrophobicContact CE-CG 4.12Å; M51-F377 HydrophobicContact CE-CZ 4.44Å; A53-F377 HydrophobicContact CB-CE2 4.42Å; A53-F377 HydrophobicContact CB-CZ 4.2Å; V154-F377 HydrophobicContact CG1-CE1 4.34Å; V154-F377 HydrophobicContact CG2-CE1 4.1Å; V154-F377 HydrophobicContact CG2-CZ 4.4Å; F332-F377 HydrophobicContact CD2-CB 3.7Å; F332-F377 HydrophobicContact CD2-CD1 4.48Å; F332-F377 HydrophobicContact CE2-CB 3.81Å; F332-F377 AromaticContact CE2-CD1 3.87Å; F332-F377 HydrophobicContact CE2-CD1 3.87Å; F332-F377 HydrophobicContact CE2-CG 4.34Å; F332-F377 HydrophobicContact CZ-CD1 4.44Å; F333-F377 PolarHBondContact O-N 3.18Å; A334-F377 CarbonylContact C-O 3.5Å; A334-F377 WeakPolarHBondContact CA-O 3.4Å; L335-F377 PolarHBondContact N-O 3.43Å; F377-V379 VanDerWaalsContact C-N 3.34Å; F377-V379 HydrophobicContact CB-CG1 4.11Å; F377-V379 HydrophobicContact CD1-CG1 3.81Å; F377-V379 HydrophobicContact CD2-CG1 4.14Å; F377-V379 HydrophobicContact CE1-CG1 4.25Å; F377-V379 HydrophobicContact CG-CG1 3.75Å; F377-V379 PolarHBondContact O-N 2.98Å; F377-I419 HydrophobicContact CB-CD1 4.32Å; F377-I419 HydrophobicContact CB-CG1 4.08Å; F377-G420 VanDerWaalsContact CD2-C 3.47Å; F377-G420 WeakPolarHBondContact CD2-O 3.24Å; F377-T422 WeakPolarHBondContact CE2-OG1 3.38Å
378	V	98.7	Very high	95.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	91.3	170.8	-177.3	0	0	0	0	108.2	L335 L364 Q380 V418 G420 Y421 T422	L335-V378 CarbonylContact O-C 3.45Å; L335-V378 WeakPolarHBondContact O-CA 3.35Å; L364-V378 HydrophobicContact CD2-CG2 4.04Å; V378-Q380 VanDerWaalsContact C-N 3.3Å; V378-Q380 PolarHBondContact O-N 3.49Å; V378-V418 HydrophobicContact CG2-CG1 4.23Å; V378-G420 PolarHBondContact N-O 3.15Å; V378-Y421 HydrophobicContact CB-CD2 3.97Å; V378-Y421 HydrophobicContact CG1-CD2 3.92Å; V378-Y421 HydrophobicContact CG1-CE2 4.02Å; V378-Y421 HydrophobicContact CG2-CD2 4.44Å; V378-Y421 CarbonylContact O-C 3.48Å; V378-T422 WeakPolarHBondContact O-CB 3.33Å; V378-T422 PolarHBondContact O-N 3.16Å; V378-T422 PolarHBondContact O-OG1 3.18Å
379	V	98.3	Very high	95.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-9.2	-171.8	-67	0	0	0	0	114	R114 I201 A263 A334 L335 F377 T422	R114-V379 VanDerWaalsContact CD-O 3.29Å; R114-V379 WeakPolarHBondContact CD-O 3.43Å; R114-V379 PolarHBondContact NH1-O 3.21Å; I201-V379 HydrophobicContact CD1-CG1 4.25Å; A263-V379 HydrophobicContact CB-CG2 3.67Å; A334-V379 HydrophobicContact CB-CB 4.47Å; A334-V379 HydrophobicContact CB-CG1 3.7Å; A334-V379 HydrophobicContact CB-CG2 3.93Å; L335-V379 WeakPolarHBondContact O-CG2 3.06Å; L335-V379 PolarHBondContact O-N 3.33Å; F377-V379 VanDerWaalsContact C-N 3.34Å; F377-V379 HydrophobicContact CB-CG1 4.11Å; F377-V379 HydrophobicContact CD1-CG1 3.81Å; F377-V379 HydrophobicContact CD2-CG1 4.14Å; F377-V379 HydrophobicContact CE1-CG1 4.25Å; F377-V379 HydrophobicContact CG-CG1 3.75Å; F377-V379 PolarHBondContact O-N 2.98Å; V379-T422 VanDerWaalsContact C-CB 3.46Å; V379-T422 VanDerWaalsContact O-CB 3.25Å; V379-T422 WeakPolarHBondContact O-CB 3.41Å; V379-T422 WeakPolarHBondContact O-CG2 3.31Å
380	Q	96.9	Very high	95.6	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.019	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	122	172.1	165.3	171	-14	0	0	110.2	S336 H337 T340 V378 W424 R440	S336-Q380 WeakPolarHBondContact CA-O 3.44Å; S336-Q380 WeakPolarHBondContact OG-CB 3.46Å; H337-Q380 PolarHBondContact N-O 3.46Å; T340-Q380 PolarHBondContact OG1-NE2 3.44Å; V378-Q380 VanDerWaalsContact C-N 3.3Å; V378-Q380 PolarHBondContact O-N 3.49Å; Q380-W424 HydrophobicContact CB-CD2 4.36Å; Q380-W424 HydrophobicContact CB-CE3 3.95Å; Q380-W424 HydrophobicContact CG-CB 3.79Å; Q380-W424 HydrophobicContact CG-CD2 3.83Å; Q380-W424 HydrophobicContact CG-CE3 3.95Å; Q380-W424 HydrophobicContact CG-CG 3.77Å; Q380-R440 VanDerWaalsContact NE2-NH2 3.18Å
381	S	96.7	Very high	95.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	145.5	169	-172.5	0	0	0	0	112.6	H337 Y421 T422 A423 W424	H337-S381 WeakPolarHBondContact O-CA 3.2Å; H337-S381 VanDerWaalsContact O-CB 3.31Å; H337-S381 WeakPolarHBondContact O-CB 3.39Å; H337-S381 PolarHBondContact O-OG 3.06Å; S381-Y421 VanDerWaalsContact CB-OH 3.25Å; S381-Y421 WeakPolarHBondContact CB-OH 3.24Å; S381-Y421 PolarHBondContact OG-OH 2.97Å; S381-Y421 VanDerWaalsContact OG-OH 3.13Å; S381-T422 PolarHBondContact N-O 3.21Å; S381-A423 CarbonylContact O-C 3.51Å; S381-A423 WeakPolarHBondContact O-CA 3.2Å; S381-W424 PolarHBondContact O-N 2.98Å
382	G	92.9	Very high	95.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.9	168.4	-174.2	0	0	0	0	0	112.1	A339	A339-G382 PolarHBondContact N-O 3.09Å
383	W	95.4	Very high	95.5	Very high	17 Å²	17	32.1 Å²	32.1	6%	0.064	16%	0.163	C	C	.	.			trans	-114.6	-163.7	176.8	-156.7	-116.2	0	0	0	111.4	A339 F343 L358 H396 Y399	A339-W383 HydrophobicContact CB-CD2 4.22Å; A339-W383 HydrophobicContact CB-CE3 3.71Å; A339-W383 HydrophobicContact CB-CH2 4.45Å; A339-W383 HydrophobicContact CB-CZ3 3.83Å; F343-W383 HydrophobicContact CD2-CH2 4.18Å; L358-W383 HydrophobicContact CD1-CH2 4.46Å; L358-W383 HydrophobicContact CD1-CZ3 4.32Å; L358-W383 HydrophobicContact CD2-CH2 4.35Å; L358-W383 HydrophobicContact CD2-CZ3 3.92Å; W383-H396 VanDerWaalsContact C-ND1 3.27Å; W383-H396 PolarHBondContact O-CE1 3.19Å; W383-H396 PolarHBondContact O-ND1 3.26Å; W383-Y399 HydrophobicContact CB-CD1 4.38Å; W383-Y399 HydrophobicContact CB-CD2 4.07Å; W383-Y399 HydrophobicContact CB-CG 3.76Å; W383-Y399 AromaticContact CD1-CD2 3.6Å; W383-Y399 AromaticContact CD1-CE2 3.75Å; W383-Y399 HydrophobicContact CD2-CD1 4.44Å; W383-Y399 HydrophobicContact CG-CD1 4.2Å; W383-Y399 AromaticContact CG-CD2 3.86Å; W383-Y399 HydrophobicContact CG-CD2 3.86Å; W383-Y399 HydrophobicContact CG-CE2 4.29Å; W383-Y399 AromaticContact CG-CG 3.82Å; W383-Y399 HydrophobicContact CG-CG 3.82Å
384	Y	94.8	Very high	95.3	Very high	42 Å²	42	25.8 Å²	25.8	17%	0.165	14%	0.136	C	C	.	.			trans	-137	160.5	177	67.9	-82	0	0	0	111.5	A339 I438 R439	A339-Y384 HydrophobicContact CB-CD1 3.5Å; A339-Y384 VanDerWaalsContact CB-CD1 3.5Å; A339-Y384 HydrophobicContact CB-CE1 4.09Å; Y384-I438 HydrophobicContact CD2-CB 3.86Å; Y384-I438 HydrophobicContact CD2-CD1 4.19Å; Y384-I438 HydrophobicContact CD2-CG2 3.51Å; Y384-I438 HydrophobicContact CE2-CG2 3.83Å; Y384-I438 HydrophobicContact CG-CB 4.44Å; Y384-I438 HydrophobicContact CG-CD1 4.02Å; Y384-I438 HydrophobicContact CG-CG2 4.45Å; Y384-R439 VanDerWaalsContact CA-O 3.28Å; Y384-R439 WeakPolarHBondContact CA-O 3.47Å; Y384-R439 WeakPolarHBondContact CB-O 3.31Å
385	V	95.4	Very high	95.2	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	171.1	169.2	-69.4	0	0	0	0	109.9	T389 D393 K395 H396 I438 R439 E787	V385-T389 HydrophobicContact CB-CG2 3.95Å; V385-T389 HydrophobicContact CG1-CG2 4.35Å; V385-T389 HydrophobicContact CG2-CG2 3.81Å; V385-D393 HydrophobicContact CG1-CB 4.22Å; V385-D393 HydrophobicContact CG2-CB 4.47Å; V385-K395 HydrophobicContact CG1-CB 4.1Å; V385-K395 HydrophobicContact CG1-CD 4.38Å; V385-K395 HydrophobicContact CG1-CG 4.46Å; V385-H396 HydrophobicContact CG1-CB 4.01Å; V385-I438 VanDerWaalsContact O-CA 3.31Å; V385-I438 WeakPolarHBondContact O-CA 3.4Å; V385-I438 WeakPolarHBondContact O-CB 3.5Å; V385-R439 HydrophobicContact CG2-CB 3.88Å; V385-R439 PolarHBondContact N-O 2.85Å; V385-R439 PolarHBondContact O-N 3.14Å; V385-E787 VanDerWaalsContact CA-OE1 3.22Å; V385-E787 WeakPolarHBondContact CA-OE1 3.24Å
386	L	94.4	Very high	95	Very high	68 Å²	68	25.4 Å²	25.4	36%	0.356	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	153.4	175	-62.3	178.7	0	0	0	111.9	N388 T389 E787	L386-N388 WeakPolarHBondContact CB-OD1 3.46Å; L386-N388 PolarHBondContact O-N 2.93Å; L386-T389 WeakPolarHBondContact O-CB 3.39Å; L386-T389 PolarHBondContact O-N 2.77Å; L386-T389 VanDerWaalsContact O-N 3.08Å; L386-T389 PolarHBondContact O-OG1 3.49Å; L386-E787 WeakPolarHBondContact CD1-O 3.49Å; L386-E787 PolarHBondContact N-OE1 2.8Å; L386-E787 VanDerWaalsContact N-OE1 3.09Å
387	G	92.8	Very high	94.9	Very high	19 Å²	19	25.9 Å²	25.9	20%	0.196	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-18.6	-179.3	0	0	0	0	0	114.8	G437 R439	G387-G437 WeakPolarHBondContact CA-O 3.5Å; G387-G437 PolarHBondContact N-O 2.82Å; G387-R439 PolarHBondContact O-NE 3.34Å
388	N	92.8	Very high	94.7	Very high	118 Å²	118	27.1 Å²	27.1	63%	0.631	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-9.6	175	63.9	-18.8	0	0	0	113.6	L386 K390	L386-N388 WeakPolarHBondContact CB-OD1 3.46Å; L386-N388 PolarHBondContact O-N 2.93Å; N388-K390 PolarHBondContact O-N 2.72Å
389	T	93.3	Very high	94.6	Very high	11 Å²	11	29.7 Å²	29.7	7%	0.067	15%	0.147	C	C	.	.			trans	-70.7	122.2	176.8	-54.5	0	0	0	0	109.9	V385 L386 E392 D393 R439 E787	V385-T389 HydrophobicContact CB-CG2 3.95Å; V385-T389 HydrophobicContact CG1-CG2 4.35Å; V385-T389 HydrophobicContact CG2-CG2 3.81Å; L386-T389 WeakPolarHBondContact O-CB 3.39Å; L386-T389 PolarHBondContact O-N 2.77Å; L386-T389 VanDerWaalsContact O-N 3.08Å; L386-T389 PolarHBondContact O-OG1 3.49Å; T389-E392 WeakPolarHBondContact CG2-O 3.37Å; T389-D393 HydrophobicContact CG2-CB 4.34Å; T389-R439 WeakPolarHBondContact O-CD 3.45Å; T389-E787 PolarHBondContact OG1-OE2 3.37Å
390	K	94.3	Very high	94.5	Very high	127 Å²	127	29.7 Å²	29.7	55%	0.552	15%	0.147	S	C	*	.			trans	-91.2	-113	-174.1	-61.4	-175	179.4	-178.9	0	112.2	N388 Y444 K457	N388-K390 PolarHBondContact O-N 2.72Å; K390-Y444 HydrophobicContact CB-CD2 4.16Å; K390-Y444 HydrophobicContact CB-CE2 4.02Å; K390-Y444 HydrophobicContact CG-CE2 3.93Å; K390-K457 WeakPolarHBondContact O-CD 3.43Å; K390-K457 VanDerWaalsContact O-CE 3.24Å; K390-K457 WeakPolarHBondContact O-CE 3.41Å
391	T	93.7	Very high	94.6	Very high	50 Å²	50	31.4 Å²	31.4	31%	0.307	15%	0.154	S	C	.	.	S	Bend	trans	-86.3	-21.1	-178	47.6	0	0	0	0	113.2	D393 Y444 E455 K457 T458	T391-D393 PolarHBondContact O-N 2.93Å; T391-Y444 HydrophobicContact CG2-CD1 4.37Å; T391-Y444 HydrophobicContact CG2-CG 4.4Å; T391-E455 HydrophobicContact CG2-CB 4.05Å; T391-K457 CarbonylContact O-C 3.6Å; T391-K457 WeakPolarHBondContact O-CA 3.43Å; T391-K457 VanDerWaalsContact O-CB 3.25Å; T391-K457 WeakPolarHBondContact O-CB 3.44Å; T391-T458 PolarHBondContact O-N 2.92Å
392	E	91.8	Very high	94.6	Very high	23 Å²	23	33.7 Å²	33.7	11%	0.107	16%	0.163	C	C	.	.			trans	-94.5	100.3	178.5	-61	-148.4	162.5	0	0	111.2	T389 S710 H784 A785	T389-E392 WeakPolarHBondContact CG2-O 3.37Å; E392-S710 PolarHBondContact OE1-OG 3.04Å; E392-H784 IonicContact OE1-CE1 3.1Å; E392-H784 IonicContact OE2-CE1 3.66Å; E392-H784 PolarHBondContact OE2-CE1 3.17Å; E392-H784 IonicContact OE2-ND1 3.61Å; E392-H784 PolarHBondContact OE2-ND1 3.46Å; E392-H784 IonicContact OE2-NE2 3.95Å; E392-A785 HydrophobicContact CB-CB 4.26Å
393	D	94.1	Very high	94.8	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	16%	0.163	C	C	.	.			trans	-127.4	50.1	-173.6	69.5	-25.8	0	0	0	113.1	V385 T389 T391 K395 H396 M397 K457 T458 S459	V385-D393 HydrophobicContact CG1-CB 4.22Å; V385-D393 HydrophobicContact CG2-CB 4.47Å; T389-D393 HydrophobicContact CG2-CB 4.34Å; T391-D393 PolarHBondContact O-N 2.93Å; D393-K395 PolarHBondContact O-N 2.89Å; D393-K395 VanDerWaalsContact O-N 3.08Å; D393-H396 HydrophobicContact CB-CB 4.23Å; D393-H396 PolarHBondContact O-N 3.23Å; D393-H396 IonicContact OD2-CD2 3.98Å; D393-M397 PolarHBondContact O-N 3.37Å; D393-K457 HydrophobicContact CB-CD 4.11Å; D393-K457 VanDerWaalsContact OD1-CB 3.29Å; D393-K457 WeakPolarHBondContact OD1-CB 3.43Å; D393-K457 WeakPolarHBondContact OD2-CD 3.43Å; D393-T458 PolarHBondContact N-OG1 3.37Å; D393-T458 VanDerWaalsContact N-OG1 3.17Å; D393-T458 PolarHBondContact OD1-N 2.86Å; D393-T458 VanDerWaalsContact OD1-N 3.13Å; D393-T458 PolarHBondContact OD1-OG1 2.89Å; D393-S459 PolarHBondContact OD1-N 3.15Å; D393-S459 PolarHBondContact OD1-OG 3.34Å; D393-S459 WeakPolarHBondContact OD2-CB 3.37Å; D393-S459 PolarHBondContact OD2-OG 2.99Å
394	P	93.1	Very high	95	Very high	7 Å²	7	33 Å²	33	5%	0.045	16%	0.16	C	C	.	.	H	α-helix	trans	-58.4	-31	-174.5	23.3	-33.6	0	0	0	112.4	M397 Y398 A706 T783 M801	P394-M397 HydrophobicContact CB-CE 4.49Å; P394-M397 WeakPolarHBondContact O-CB 3.35Å; P394-M397 PolarHBondContact O-N 2.91Å; P394-Y398 HydrophobicContact CB-CD2 4.48Å; P394-Y398 HydrophobicContact CB-CE2 4.49Å; P394-Y398 WeakPolarHBondContact O-CD2 3.39Å; P394-Y398 PolarHBondContact O-N 2.93Å; P394-A706 HydrophobicContact CB-CB 3.74Å; P394-A706 HydrophobicContact CG-CB 4.23Å; P394-T783 HydrophobicContact CG-CG2 3.82Å; P394-M801 HydrophobicContact CB-CE 3.94Å; P394-M801 HydrophobicContact CB-SD 3.84Å; P394-M801 HydrophobicContact CG-CE 4.08Å; P394-M801 HydrophobicContact CG-SD 3.68Å
395	K	93.4	Very high	95.1	Very high	45 Å²	45	31 Å²	31	20%	0.196	15%	0.153	C	C	.	.	H	α-helix	trans	-58	-52.9	173	175.5	177.7	166.4	-171.5	0	111.1	V385 D393 M397 Y398 Y399 E787 M801	V385-K395 HydrophobicContact CG1-CB 4.1Å; V385-K395 HydrophobicContact CG1-CD 4.38Å; V385-K395 HydrophobicContact CG1-CG 4.46Å; D393-K395 PolarHBondContact O-N 2.89Å; D393-K395 VanDerWaalsContact O-N 3.08Å; K395-M397 VanDerWaalsContact C-N 3.31Å; K395-M397 PolarHBondContact O-N 3.37Å; K395-Y398 PolarHBondContact O-N 2.71Å; K395-Y399 HydrophobicContact CG-CD2 4.09Å; K395-Y399 HydrophobicContact CG-CE2 4.07Å; K395-Y399 VanDerWaalsContact O-CD2 3.27Å; K395-Y399 WeakPolarHBondContact O-CD2 3.06Å; K395-Y399 PolarHBondContact O-N 3.02Å; K395-Y399 VanDerWaalsContact O-N 3.16Å; K395-E787 HydrophobicContact CB-CG 4.2Å; K395-E787 HydrophobicContact CD-CG 3.38Å; K395-E787 WeakPolarHBondContact CD-OE1 3.47Å; K395-E787 HydrophobicContact CG-CG 4.48Å; K395-E787 IonicContact NZ-OE1 3.95Å; K395-E787 PolarHBondContact NZ-OE1 3.24Å; K395-M801 HydrophobicContact CB-CE 3.93Å; K395-M801 VanDerWaalsContact N-CE 3.31Å
396	H	95.1	Very high	95.2	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-60.8	-43.2	178.6	-174	83.1	0	0	0	111	W383 V385 D393 Y398 Y399 L400 R440	W383-H396 VanDerWaalsContact C-ND1 3.27Å; W383-H396 PolarHBondContact O-CE1 3.19Å; W383-H396 PolarHBondContact O-ND1 3.26Å; V385-H396 HydrophobicContact CG1-CB 4.01Å; D393-H396 HydrophobicContact CB-CB 4.23Å; D393-H396 PolarHBondContact O-N 3.23Å; D393-H396 IonicContact OD2-CD2 3.98Å; H396-Y398 PolarHBondContact O-N 2.87Å; H396-Y399 PolarHBondContact O-N 2.89Å; H396-L400 WeakPolarHBondContact O-CB 3.46Å; H396-L400 PolarHBondContact O-N 3.47Å; H396-R440 PolarHBondContact CE1-O 3.28Å
397	M	95.7	Very high	95.4	Very high	10 Å²	10	28.6 Å²	28.6	5%	0.049	14%	0.14	C	C	.	.	H	α-helix	trans	-56.2	-49.4	176.1	-179.5	-173.1	70.7	0	0	112.9	D393 P394 K395 L400 K401 F462 F707	D393-M397 PolarHBondContact O-N 3.37Å; P394-M397 HydrophobicContact CB-CE 4.49Å; P394-M397 WeakPolarHBondContact O-CB 3.35Å; P394-M397 PolarHBondContact O-N 2.91Å; K395-M397 VanDerWaalsContact C-N 3.31Å; K395-M397 PolarHBondContact O-N 3.37Å; M397-L400 WeakPolarHBondContact O-CB 3.46Å; M397-L400 PolarHBondContact O-N 2.7Å; M397-K401 WeakPolarHBondContact O-CB 3.46Å; M397-K401 PolarHBondContact O-N 2.81Å; M397-F462 HydrophobicContact CG-CB 3.6Å; M397-F462 HydrophobicContact CG-CD1 3.93Å; M397-F462 HydrophobicContact CG-CD2 4.15Å; M397-F462 HydrophobicContact CG-CG 3.61Å; M397-F462 HydrophobicContact SD-CB 3.73Å; M397-F462 HydrophobicContact SD-CD2 4.37Å; M397-F462 HydrophobicContact SD-CG 4.13Å; M397-F707 HydrophobicContact CE-CD2 4.26Å; M397-F707 HydrophobicContact SD-CD2 3.84Å; M397-F707 HydrophobicContact SD-CE2 4.21Å
398	Y	95.6	Very high	95.6	Very high	25 Å²	25	27.7 Å²	27.7	10%	0.098	13%	0.13	C	C	.	.	H	α-helix	trans	-71	-30.3	-177.6	-80.1	-68.5	0	0	0	113.2	P394 K395 H396 K401 R402 A706 L781 M801 D803 T804	P394-Y398 HydrophobicContact CB-CD2 4.48Å; P394-Y398 HydrophobicContact CB-CE2 4.49Å; P394-Y398 WeakPolarHBondContact O-CD2 3.39Å; P394-Y398 PolarHBondContact O-N 2.93Å; K395-Y398 PolarHBondContact O-N 2.71Å; H396-Y398 PolarHBondContact O-N 2.87Å; Y398-K401 HydrophobicContact CD1-CD 4.14Å; Y398-K401 HydrophobicContact CE1-CD 4.36Å; Y398-R402 PolarHBondContact O-N 2.84Å; Y398-R402 VanDerWaalsContact O-N 3.07Å; Y398-A706 HydrophobicContact CE2-CB 4.27Å; Y398-A706 WeakPolarHBondContact CE2-O 3.39Å; Y398-A706 PolarHBondContact OH-O 2.81Å; Y398-L781 HydrophobicContact CD2-CD1 4.45Å; Y398-L781 HydrophobicContact CE1-CD1 3.96Å; Y398-L781 HydrophobicContact CE2-CD1 3.74Å; Y398-L781 VanDerWaalsContact CZ-CD1 3.46Å; Y398-M801 HydrophobicContact CD2-CE 4.42Å; Y398-D803 HydrophobicContact CD1-CB 3.75Å; Y398-D803 WeakPolarHBondContact CD1-OD1 3.3Å; Y398-D803 HydrophobicContact CE1-CB 3.67Å; Y398-D803 VanDerWaalsContact CE1-OD2 3.28Å; Y398-D803 WeakPolarHBondContact CE1-OD2 3.18Å; Y398-T804 PolarHBondContact O-OG1 3.49Å; Y398-T804 VanDerWaalsContact O-OG1 3.09Å
399	Y	96.1	Very high	95.9	Very high	54 Å²	54	22.3 Å²	22.3	21%	0.212	10%	0.101	C	C	.	.	H	α-helix	trans	-68.2	-43.1	169.3	-85.6	-78.3	0	0	0	111.8	L358 W383 K395 H396 K401 R402 F403	L358-Y399 HydrophobicContact CD1-CD1 4.18Å; L358-Y399 HydrophobicContact CD1-CE1 3.56Å; W383-Y399 HydrophobicContact CB-CD1 4.38Å; W383-Y399 HydrophobicContact CB-CD2 4.07Å; W383-Y399 HydrophobicContact CB-CG 3.76Å; W383-Y399 AromaticContact CD1-CD2 3.6Å; W383-Y399 AromaticContact CD1-CE2 3.75Å; W383-Y399 HydrophobicContact CD2-CD1 4.44Å; W383-Y399 HydrophobicContact CG-CD1 4.2Å; W383-Y399 AromaticContact CG-CD2 3.86Å; W383-Y399 HydrophobicContact CG-CD2 3.86Å; W383-Y399 HydrophobicContact CG-CE2 4.29Å; W383-Y399 AromaticContact CG-CG 3.82Å; W383-Y399 HydrophobicContact CG-CG 3.82Å; K395-Y399 HydrophobicContact CG-CD2 4.09Å; K395-Y399 HydrophobicContact CG-CE2 4.07Å; K395-Y399 VanDerWaalsContact O-CD2 3.27Å; K395-Y399 WeakPolarHBondContact O-CD2 3.06Å; K395-Y399 PolarHBondContact O-N 3.02Å; K395-Y399 VanDerWaalsContact O-N 3.16Å; H396-Y399 PolarHBondContact O-N 2.89Å; Y399-K401 VanDerWaalsContact C-N 3.32Å; Y399-K401 PolarHBondContact O-N 2.62Å; Y399-R402 PolarHBondContact O-N 3.01Å; Y399-F403 HydrophobicContact CD1-CE2 4.42Å; Y399-F403 HydrophobicContact CD1-CZ 4.41Å; Y399-F403 WeakPolarHBondContact O-CD2 3.49Å; Y399-F403 WeakPolarHBondContact O-CG 3.23Å; Y399-F403 PolarHBondContact O-N 3.2Å
400	L	97.5	Very high	96.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.4	-44.6	174.4	-178.6	60.8	0	0	0	110.9	H396 M397 R402 F403 I404 Y421 A423 L442 F462 Y463	H396-L400 WeakPolarHBondContact O-CB 3.46Å; H396-L400 PolarHBondContact O-N 3.47Å; M397-L400 WeakPolarHBondContact O-CB 3.46Å; M397-L400 PolarHBondContact O-N 2.7Å; L400-R402 VanDerWaalsContact C-N 3.34Å; L400-R402 PolarHBondContact O-N 2.95Å; L400-F403 PolarHBondContact O-N 2.84Å; L400-I404 HydrophobicContact CD1-CD1 3.88Å; L400-I404 HydrophobicContact CD1-CG1 4.25Å; L400-I404 HydrophobicContact CG-CD1 3.88Å; L400-I404 VanDerWaalsContact O-CG1 3.31Å; L400-I404 WeakPolarHBondContact O-CG1 3.47Å; L400-I404 PolarHBondContact O-N 3.24Å; L400-Y421 HydrophobicContact CD1-CE1 3.8Å; L400-Y421 WeakPolarHBondContact CD1-OH 3.43Å; L400-A423 HydrophobicContact CD1-CB 4.08Å; L400-L442 HydrophobicContact CD2-CD2 4.03Å; L400-F462 HydrophobicContact CD2-CD1 4.18Å; L400-F462 HydrophobicContact CD2-CE1 4.34Å; L400-F462 HydrophobicContact CG-CD1 4.5Å; L400-F462 HydrophobicContact CG-CE1 4.19Å; L400-Y463 HydrophobicContact CD2-CD2 4.27Å; L400-Y463 HydrophobicContact CD2-CG 4.3Å
401	K	97.6	Very high	96.3	Very high	41 Å²	41	16.7 Å²	16.7	18%	0.178	8%	0.077	C	C	.	.	H	α-helix	trans	-55.3	-47.4	173.9	-174.7	-176.4	177.5	-179.1	0	111.7	M397 Y398 Y399 A405 F462 F472 D803 T805	M397-K401 WeakPolarHBondContact O-CB 3.46Å; M397-K401 PolarHBondContact O-N 2.81Å; Y398-K401 HydrophobicContact CD1-CD 4.14Å; Y398-K401 HydrophobicContact CE1-CD 4.36Å; Y399-K401 VanDerWaalsContact C-N 3.32Å; Y399-K401 PolarHBondContact O-N 2.62Å; K401-A405 VanDerWaalsContact O-CB 3.26Å; K401-A405 WeakPolarHBondContact O-CB 3.43Å; K401-A405 PolarHBondContact O-N 3.28Å; K401-F462 HydrophobicContact CB-CE1 4.01Å; K401-F462 HydrophobicContact CB-CE2 4.08Å; K401-F462 HydrophobicContact CB-CZ 3.47Å; K401-F462 VanDerWaalsContact CB-CZ 3.47Å; K401-F462 HydrophobicContact CD-CE2 4.3Å; K401-F462 HydrophobicContact CD-CZ 4.44Å; K401-F462 HydrophobicContact CG-CE2 4.02Å; K401-F462 HydrophobicContact CG-CZ 3.69Å; K401-F472 HydrophobicContact CG-CE1 4.35Å; K401-F472 HydrophobicContact CG-CZ 4.33Å; K401-D803 IonicContact NZ-OD2 3.7Å; K401-D803 PolarHBondContact NZ-OD2 3.47Å; K401-T805 HydrophobicContact CB-CG2 4.48Å; K401-T805 HydrophobicContact CD-CG2 4.18Å; K401-T805 HydrophobicContact CG-CG2 3.95Å
402	R	96.6	Very high	96.4	Very high	48 Å²	48	16.5 Å²	16.5	18%	0.181	7%	0.073	C	C	.	.	H	α-helix	trans	-61.9	-48.6	177.4	172	178.9	168.4	-176.3	-1.5	112.5	D357 L358 Y398 Y399 L400 I404 A405 E406 T804 T805	D357-R402 IonicContact OD1-NH2 3.39Å; L358-R402 PolarHBondContact O-NH2 3.43Å; Y398-R402 PolarHBondContact O-N 2.84Å; Y398-R402 VanDerWaalsContact O-N 3.07Å; Y399-R402 PolarHBondContact O-N 3.01Å; L400-R402 VanDerWaalsContact C-N 3.34Å; L400-R402 PolarHBondContact O-N 2.95Å; R402-I404 VanDerWaalsContact C-N 3.34Å; R402-I404 PolarHBondContact O-N 2.99Å; R402-A405 PolarHBondContact O-N 3.49Å; R402-E406 HydrophobicContact CG-CG 4.31Å; R402-E406 WeakPolarHBondContact O-CB 3.47Å; R402-E406 WeakPolarHBondContact O-CG 3.42Å; R402-E406 PolarHBondContact O-N 2.87Å; R402-T804 WeakPolarHBondContact CB-OG1 3.45Å; R402-T804 WeakPolarHBondContact CD-OG1 3.46Å; R402-T805 HydrophobicContact CB-CG2 3.86Å
403	F	97.9	Very high	96.6	Very high	1 Å²	1	18.9 Å²	18.9	0%	0.004	9%	0.086	C	C	.	.	H	α-helix	trans	-62.5	-42	-179.2	-66.4	-46.3	0	0	0	112.2	H337 L358 L360 Y399 L400 E406 A407 Y421	H337-F403 AromaticContact CD2-CE1 3.82Å; H337-F403 AromaticContact NE2-CE1 3.64Å; L358-F403 HydrophobicContact CB-CE1 4.12Å; L358-F403 HydrophobicContact CB-CZ 4.38Å; L358-F403 HydrophobicContact CD2-CZ 4.49Å; L360-F403 HydrophobicContact CB-CD1 4.05Å; L360-F403 HydrophobicContact CD2-CB 3.97Å; L360-F403 HydrophobicContact CD2-CD1 4.22Å; L360-F403 HydrophobicContact CD2-CG 4.45Å; Y399-F403 HydrophobicContact CD1-CE2 4.42Å; Y399-F403 HydrophobicContact CD1-CZ 4.41Å; Y399-F403 WeakPolarHBondContact O-CD2 3.49Å; Y399-F403 WeakPolarHBondContact O-CG 3.23Å; Y399-F403 PolarHBondContact O-N 3.2Å; L400-F403 PolarHBondContact O-N 2.84Å; F403-E406 PolarHBondContact O-N 3.27Å; F403-A407 WeakPolarHBondContact O-CB 3.32Å; F403-A407 PolarHBondContact O-N 3.29Å; F403-Y421 HydrophobicContact CB-CE2 4.35Å; F403-Y421 WeakPolarHBondContact CB-OH 3.45Å
404	I	98.5	Very high	96.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-65	-44.2	175.6	-63.3	169.5	0	0	0	110.8	F46 W52 L400 R402 E406 A407 L408 Y421 F462 Y463 V466 F472	F46-I404 HydrophobicContact CE2-CG2 3.76Å; F46-I404 HydrophobicContact CZ-CG2 3.71Å; W52-I404 HydrophobicContact CH2-CG2 3.78Å; W52-I404 HydrophobicContact CZ3-CD1 4.32Å; W52-I404 HydrophobicContact CZ3-CG1 4.49Å; W52-I404 HydrophobicContact CZ3-CG2 4.12Å; L400-I404 HydrophobicContact CD1-CD1 3.88Å; L400-I404 HydrophobicContact CD1-CG1 4.25Å; L400-I404 HydrophobicContact CG-CD1 3.88Å; L400-I404 VanDerWaalsContact O-CG1 3.31Å; L400-I404 WeakPolarHBondContact O-CG1 3.47Å; L400-I404 PolarHBondContact O-N 3.24Å; R402-I404 VanDerWaalsContact C-N 3.34Å; R402-I404 PolarHBondContact O-N 2.99Å; I404-E406 PolarHBondContact O-N 3.07Å; I404-A407 PolarHBondContact O-N 3.16Å; I404-L408 PolarHBondContact O-N 2.9Å; I404-Y421 HydrophobicContact CD1-CE1 4.1Å; I404-Y421 HydrophobicContact CG1-CD1 4.05Å; I404-Y421 HydrophobicContact CG1-CE1 3.61Å; I404-Y421 HydrophobicContact CG1-CE2 4.27Å; I404-F462 HydrophobicContact CD1-CE1 4.36Å; I404-Y463 HydrophobicContact CD1-CD2 3.85Å; I404-Y463 HydrophobicContact CD1-CE2 3.87Å; I404-V466 HydrophobicContact CG2-CG1 4.24Å; I404-F472 HydrophobicContact CB-CE2 4.42Å; I404-F472 HydrophobicContact CB-CZ 4.26Å; I404-F472 HydrophobicContact CG2-CE2 3.82Å; I404-F472 HydrophobicContact CG2-CZ 3.9Å
405	A	97.8	Very high	96.8	Very high	2 Å²	2	26.5 Å²	26.5	2%	0.017	12%	0.119	C	C	.	.	H	α-helix	trans	-63.3	-39.9	178.9	0	0	0	0	0	112.7	F41 K401 R402 L408 K409 F472 T805	F41-A405 HydrophobicContact CD2-CB 4.31Å; F41-A405 HydrophobicContact CE2-CB 3.71Å; F41-A405 HydrophobicContact CZ-CB 4.46Å; K401-A405 VanDerWaalsContact O-CB 3.26Å; K401-A405 WeakPolarHBondContact O-CB 3.43Å; K401-A405 PolarHBondContact O-N 3.28Å; R402-A405 PolarHBondContact O-N 3.49Å; A405-L408 WeakPolarHBondContact O-CB 3.2Å; A405-L408 PolarHBondContact O-N 3.31Å; A405-K409 WeakPolarHBondContact O-CG 3.42Å; A405-K409 PolarHBondContact O-N 2.9Å; A405-F472 HydrophobicContact CB-CE2 4.04Å; A405-T805 HydrophobicContact CB-CG2 4.46Å
406	E	97.4	Very high	97.1	Very high	18 Å²	18	24.5 Å²	24.5	8%	0.084	11%	0.111	C	C	.	.	H	α-helix	trans	-70.5	-34.3	176.5	-71	-50	130.1	0	0	112	R361 R402 F403 I404 K409 S410	R361-E406 HydrophobicContact CB-CB 3.89Å; R361-E406 HydrophobicContact CB-CG 4.45Å; R361-E406 VanDerWaalsContact CB-OE2 3.24Å; R361-E406 WeakPolarHBondContact CB-OE2 3.21Å; R361-E406 WeakPolarHBondContact CD-OE2 3.46Å; R402-E406 HydrophobicContact CG-CG 4.31Å; R402-E406 WeakPolarHBondContact O-CB 3.47Å; R402-E406 WeakPolarHBondContact O-CG 3.42Å; R402-E406 PolarHBondContact O-N 2.87Å; F403-E406 PolarHBondContact O-N 3.27Å; I404-E406 PolarHBondContact O-N 3.07Å; E406-K409 PolarHBondContact O-N 3.31Å; E406-K409 IonicContact OE1-NZ 3.93Å; E406-K409 PolarHBondContact OE1-NZ 2.93Å; E406-S410 PolarHBondContact O-N 3.32Å
407	A	98.3	Very high	97.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.6	-45.1	169.1	0	0	0	0	0	111.6	L364 F403 I404 K409 S410 I411	L364-A407 HydrophobicContact CD1-CB 4.2Å; F403-A407 WeakPolarHBondContact O-CB 3.32Å; F403-A407 PolarHBondContact O-N 3.29Å; I404-A407 PolarHBondContact O-N 3.16Å; A407-K409 PolarHBondContact O-N 3.29Å; A407-S410 WeakPolarHBondContact O-CB 3.38Å; A407-S410 PolarHBondContact O-N 3.22Å; A407-S410 VanDerWaalsContact O-N 3.14Å; A407-S410 PolarHBondContact O-OG 3.06Å; A407-I411 WeakPolarHBondContact O-CG1 3.45Å; A407-I411 PolarHBondContact O-N 3.24Å
408	L	98.3	Very high	97.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-58.8	-47.5	176.1	-177	59.6	0	0	0	111.7	L42 D44 F46 I404 A405 S410 I411 I412 F472	L42-L408 HydrophobicContact CD2-CG 4.26Å; D44-L408 HydrophobicContact CB-CD1 4.49Å; D44-L408 HydrophobicContact CB-CD2 4.08Å; F46-L408 HydrophobicContact CD1-CD1 4.17Å; F46-L408 HydrophobicContact CD2-CD1 3.85Å; F46-L408 HydrophobicContact CE1-CB 4.1Å; F46-L408 HydrophobicContact CE1-CD1 4.21Å; F46-L408 HydrophobicContact CE2-CB 3.87Å; F46-L408 HydrophobicContact CE2-CD1 3.88Å; F46-L408 HydrophobicContact CE2-CD2 4.26Å; F46-L408 HydrophobicContact CE2-CG 4.22Å; F46-L408 HydrophobicContact CG-CD1 4.01Å; F46-L408 HydrophobicContact CZ-CB 3.55Å; F46-L408 HydrophobicContact CZ-CD1 4.08Å; F46-L408 HydrophobicContact CZ-CG 4.31Å; I404-L408 PolarHBondContact O-N 2.9Å; A405-L408 WeakPolarHBondContact O-CB 3.2Å; A405-L408 PolarHBondContact O-N 3.31Å; L408-S410 VanDerWaalsContact C-N 3.27Å; L408-S410 PolarHBondContact O-N 3.01Å; L408-I411 PolarHBondContact O-N 2.92Å; L408-I411 VanDerWaalsContact O-N 3.13Å; L408-I412 HydrophobicContact CD1-CD1 4.39Å; L408-I412 HydrophobicContact CD1-CG1 3.76Å; L408-I412 HydrophobicContact CG-CG1 4.23Å; L408-I412 WeakPolarHBondContact O-CG1 3.34Å; L408-I412 PolarHBondContact O-N 3.16Å; L408-F472 HydrophobicContact CD2-CD2 3.95Å
409	K	97.4	Very high	97.5	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.017	13%	0.133	C	C	.	.	H	α-helix	trans	-58.8	-38.5	175.8	-72.3	175.5	-174.2	175.4	0	112	K39 A40 L42 A405 E406 A407 I411 I413 D414	K39-K409 PolarHBondContact O-NZ 3.49Å; A40-K409 WeakPolarHBondContact O-CE 3.2Å; A40-K409 PolarHBondContact O-NZ 2.85Å; L42-K409 HydrophobicContact CB-CG 3.97Å; L42-K409 HydrophobicContact CD2-CG 4.1Å; A405-K409 WeakPolarHBondContact O-CG 3.42Å; A405-K409 PolarHBondContact O-N 2.9Å; E406-K409 PolarHBondContact O-N 3.31Å; E406-K409 IonicContact OE1-NZ 3.93Å; E406-K409 PolarHBondContact OE1-NZ 2.93Å; A407-K409 PolarHBondContact O-N 3.29Å; K409-I411 VanDerWaalsContact C-N 3.3Å; K409-I411 PolarHBondContact O-N 3.12Å; K409-I413 HydrophobicContact CB-CD1 4.15Å; K409-I413 HydrophobicContact CG-CD1 4.06Å; K409-I413 WeakPolarHBondContact O-CA 3.22Å; K409-I413 VanDerWaalsContact O-CB 3.27Å; K409-I413 WeakPolarHBondContact O-CB 3.37Å; K409-I413 PolarHBondContact O-N 3.3Å; K409-D414 PolarHBondContact O-N 3.06Å
410	S	97.9	Very high	97.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.6	-37.3	177.4	81.4	0	0	0	0	112.4	L364 E406 A407 L408 D414 K415 V416	L364-S410 WeakPolarHBondContact CD1-OG 3.27Å; E406-S410 PolarHBondContact O-N 3.32Å; A407-S410 WeakPolarHBondContact O-CB 3.38Å; A407-S410 PolarHBondContact O-N 3.22Å; A407-S410 VanDerWaalsContact O-N 3.14Å; A407-S410 PolarHBondContact O-OG 3.06Å; L408-S410 VanDerWaalsContact C-N 3.27Å; L408-S410 PolarHBondContact O-N 3.01Å; S410-D414 CarbonylContact O-C 3.58Å; S410-D414 VanDerWaalsContact O-C 3.31Å; S410-D414 WeakPolarHBondContact O-CA 3.36Å; S410-D414 WeakPolarHBondContact O-CB 3.47Å; S410-D414 PolarHBondContact O-N 2.89Å; S410-K415 PolarHBondContact O-N 2.89Å; S410-V416 PolarHBondContact O-N 2.96Å
411	I	98.1	Very high	97.7	Very high	20 Å²	20	25.9 Å²	25.9	10%	0.103	12%	0.123	C	C	.	.	H	α-helix	trans	-72.3	-56	176.7	-59.8	167.1	0	0	0	109.8	F46 P47 F50 A407 L408 K409 K415 V418	F46-I411 HydrophobicContact CD1-CD1 3.52Å; F46-I411 HydrophobicContact CE1-CD1 3.67Å; P47-I411 HydrophobicContact CG-CG2 4.3Å; F50-I411 HydrophobicContact CD2-CD1 4.41Å; F50-I411 HydrophobicContact CE2-CD1 3.94Å; A407-I411 WeakPolarHBondContact O-CG1 3.45Å; A407-I411 PolarHBondContact O-N 3.24Å; L408-I411 PolarHBondContact O-N 2.92Å; L408-I411 VanDerWaalsContact O-N 3.13Å; K409-I411 VanDerWaalsContact C-N 3.3Å; K409-I411 PolarHBondContact O-N 3.12Å; I411-K415 VanDerWaalsContact O-CA 3.3Å; I411-K415 WeakPolarHBondContact O-CA 3.44Å; I411-K415 PolarHBondContact O-N 3Å; I411-V418 HydrophobicContact CD1-CB 3.95Å; I411-V418 HydrophobicContact CG1-CB 3.76Å; I411-V418 HydrophobicContact CG1-CG2 4.03Å
412	I	96.7	Very high	97.7	Very high	47 Å²	47	23.9 Å²	23.9	24%	0.241	12%	0.115	C	C	.	.	H	α-helix	trans	-73.8	-46.1	-168.7	-59.6	-58.5	0	0	0	111.7	L42 L408 K415	L42-I412 HydrophobicContact CD2-CB 3.86Å; L42-I412 HydrophobicContact CD2-CG1 4.19Å; L42-I412 HydrophobicContact CD2-CG2 4.01Å; L408-I412 HydrophobicContact CD1-CD1 4.39Å; L408-I412 HydrophobicContact CD1-CG1 3.76Å; L408-I412 HydrophobicContact CG-CG1 4.23Å; L408-I412 WeakPolarHBondContact O-CG1 3.34Å; L408-I412 PolarHBondContact O-N 3.16Å; I412-K415 WeakPolarHBondContact O-CE 3.42Å; I412-K415 PolarHBondContact O-NZ 3.22Å
413	I	95.1	Very high	97.8	Very high	72 Å²	72	21.6 Å²	21.6	37%	0.369	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-46.7	-173.4	-53.2	175	0	0	0	110.7	L42 K409	L42-I413 HydrophobicContact CD2-CD1 4.3Å; L42-I413 HydrophobicContact CD2-CG1 4.29Å; K409-I413 HydrophobicContact CB-CD1 4.15Å; K409-I413 HydrophobicContact CG-CD1 4.06Å; K409-I413 WeakPolarHBondContact O-CA 3.22Å; K409-I413 VanDerWaalsContact O-CB 3.27Å; K409-I413 WeakPolarHBondContact O-CB 3.37Å; K409-I413 PolarHBondContact O-N 3.3Å
414	D	95.9	Very high	97.9	Very high	11 Å²	11	21.6 Å²	21.6	6%	0.059	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-6.1	-172.3	-49.9	-42.5	0	0	0	114	R29 R361 Y365 K409 S410 V416	R29-D414 IonicContact CZ-OD1 3.88Å; R29-D414 VanDerWaalsContact CZ-OD1 3.26Å; R29-D414 IonicContact NH1-OD1 2.59Å; R29-D414 PolarHBondContact NH1-OD1 3.24Å; R29-D414 IonicContact NH2-OD1 3.66Å; R29-D414 PolarHBondContact NH2-OD1 3.49Å; R361-D414 VanDerWaalsContact CG-OD2 3.32Å; R361-D414 WeakPolarHBondContact CG-OD2 3.46Å; R361-D414 IonicContact CZ-OD1 2.84Å; R361-D414 IonicContact CZ-OD2 3.97Å; R361-D414 IonicContact NE-OD1 3.13Å; R361-D414 IonicContact NE-OD2 2.83Å; R361-D414 PolarHBondContact NE-OD2 3.37Å; R361-D414 IonicContact NH2-OD1 3.28Å; R361-D414 PolarHBondContact NH2-OD1 3.47Å; R361-D414 IonicContact NH2-OD2 2.83Å; R361-D414 PolarHBondContact NH2-OD2 2.98Å; Y365-D414 HydrophobicContact CD2-CB 3.91Å; K409-D414 PolarHBondContact O-N 3.06Å; S410-D414 CarbonylContact O-C 3.58Å; S410-D414 VanDerWaalsContact O-C 3.31Å; S410-D414 WeakPolarHBondContact O-CA 3.36Å; S410-D414 WeakPolarHBondContact O-CB 3.47Å; S410-D414 PolarHBondContact O-N 2.89Å; D414-V416 VanDerWaalsContact C-N 3.26Å; D414-V416 HydrophobicContact CB-CG2 4.14Å; D414-V416 PolarHBondContact O-N 2.92Å
415	K	97.1	Very high	97.8	Very high	157 Å²	157	21.7 Å²	21.7	68%	0.683	11%	0.107	S	C	*	.			trans	58.1	35.1	179.3	-50.9	-54.6	-173.8	-168.9	0	113.4	S410 I411 I412	S410-K415 PolarHBondContact O-N 2.89Å; I411-K415 VanDerWaalsContact O-CA 3.3Å; I411-K415 WeakPolarHBondContact O-CA 3.44Å; I411-K415 PolarHBondContact O-N 3Å; I412-K415 WeakPolarHBondContact O-CE 3.42Å; I412-K415 PolarHBondContact O-NZ 3.22Å
416	V	98.4	Very high	97.9	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.024	11%	0.106	C	C	.	.			trans	-76.9	135.4	172.1	-179.7	0	0	0	0	109.7	L364 Y365 N368 I376 S410 D414 V418	L364-V416 HydrophobicContact CB-CG1 4.35Å; Y365-V416 HydrophobicContact CD2-CG2 4.31Å; N368-V416 HydrophobicContact CB-CB 4.46Å; N368-V416 HydrophobicContact CB-CG1 3.89Å; N368-V416 HydrophobicContact CB-CG2 3.99Å; I376-V416 HydrophobicContact CD1-CG1 3.67Å; S410-V416 PolarHBondContact O-N 2.96Å; D414-V416 VanDerWaalsContact C-N 3.26Å; D414-V416 HydrophobicContact CB-CG2 4.14Å; D414-V416 PolarHBondContact O-N 2.92Å; V416-V418 VanDerWaalsContact C-N 3.27Å; V416-V418 HydrophobicContact CB-CG2 4.29Å; V416-V418 HydrophobicContact CG1-CG2 3.74Å; V416-V418 PolarHBondContact O-N 3.22Å
417	N	98.1	Very high	97.9	Very high	76 Å²	76	20.8 Å²	20.8	41%	0.406	10%	0.102	S	C	.	.			trans	-80.4	66.9	-179.7	-172.7	14.5	0	0	0	112.1	P375 I376 I419	P375-N417 CarbonylContact C-O 3.5Å; P375-N417 WeakPolarHBondContact CA-O 3.3Å; I376-N417 PolarHBondContact N-O 3.13Å; N417-I419 WeakPolarHBondContact OD1-CG2 3.43Å
418	V	98.8	Very high	97.9	Very high	6 Å²	6	20.8 Å²	20.8	4%	0.036	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	118.5	174.1	-170.5	0	0	0	0	109.5	F50 L364 I376 V378 I411 V416	F50-V418 HydrophobicContact CE2-CG1 4.13Å; F50-V418 WeakPolarHBondContact CE2-O 3.35Å; F50-V418 HydrophobicContact CZ-CG1 4.47Å; L364-V418 HydrophobicContact CD1-CG2 4.11Å; L364-V418 HydrophobicContact CD2-CG2 4.04Å; I376-V418 CarbonylContact O-C 3.31Å; I376-V418 VanDerWaalsContact O-CA 3.31Å; I376-V418 WeakPolarHBondContact O-CA 3.36Å; V378-V418 HydrophobicContact CG2-CG1 4.23Å; I411-V418 HydrophobicContact CD1-CB 3.95Å; I411-V418 HydrophobicContact CG1-CB 3.76Å; I411-V418 HydrophobicContact CG1-CG2 4.03Å; V416-V418 VanDerWaalsContact C-N 3.27Å; V416-V418 HydrophobicContact CB-CG2 4.29Å; V416-V418 HydrophobicContact CG1-CG2 3.74Å; V416-V418 PolarHBondContact O-N 3.22Å
419	I	98.5	Very high	97.9	Very high	36 Å²	36	21 Å²	21	19%	0.185	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-14.2	-173	61	168.3	0	0	0	113.8	M51 F332 P375 I376 F377 N417	M51-I419 HydrophobicContact CE-CB 4.11Å; M51-I419 HydrophobicContact CE-CD1 3.65Å; M51-I419 HydrophobicContact CE-CG1 3.68Å; M51-I419 WeakPolarHBondContact CE-O 3.48Å; M51-I419 PolarHBondContact N-O 3.03Å; F332-I419 HydrophobicContact CB-CD1 4.43Å; P375-I419 HydrophobicContact CB-CD1 4.03Å; P375-I419 HydrophobicContact CB-CG2 4Å; I376-I419 WeakPolarHBondContact O-CG1 3.43Å; I376-I419 PolarHBondContact O-N 3.28Å; F377-I419 HydrophobicContact CB-CD1 4.32Å; F377-I419 HydrophobicContact CB-CG1 4.08Å; N417-I419 WeakPolarHBondContact OD1-CG2 3.43Å
420	G	98.6	Very high	97.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.9	163.2	-179	0	0	0	0	0	114.4	M51 F377 V378	M51-G420 CarbonylContact O-C 3.52Å; M51-G420 WeakPolarHBondContact O-CA 3.28Å; F377-G420 VanDerWaalsContact CD2-C 3.47Å; F377-G420 WeakPolarHBondContact CD2-O 3.24Å; V378-G420 PolarHBondContact N-O 3.15Å
421	Y	98.8	Very high	97.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	126.6	179.5	-173.7	-87.5	0	0	0	111.6	M51 W52 A53 L360 V378 S381 L400 F403 I404 A423 Y463	M51-Y421 PolarHBondContact O-N 3.05Å; W52-Y421 HydrophobicContact CZ3-CD1 4.4Å; A53-Y421 PolarHBondContact N-O 2.92Å; L360-Y421 HydrophobicContact CD2-CE2 4.43Å; V378-Y421 HydrophobicContact CB-CD2 3.97Å; V378-Y421 HydrophobicContact CG1-CD2 3.92Å; V378-Y421 HydrophobicContact CG1-CE2 4.02Å; V378-Y421 HydrophobicContact CG2-CD2 4.44Å; V378-Y421 CarbonylContact O-C 3.48Å; S381-Y421 VanDerWaalsContact CB-OH 3.25Å; S381-Y421 WeakPolarHBondContact CB-OH 3.24Å; S381-Y421 PolarHBondContact OG-OH 2.97Å; S381-Y421 VanDerWaalsContact OG-OH 3.13Å; L400-Y421 HydrophobicContact CD1-CE1 3.8Å; L400-Y421 WeakPolarHBondContact CD1-OH 3.43Å; F403-Y421 HydrophobicContact CB-CE2 4.35Å; F403-Y421 WeakPolarHBondContact CB-OH 3.45Å; I404-Y421 HydrophobicContact CD1-CE1 4.1Å; I404-Y421 HydrophobicContact CG1-CD1 4.05Å; I404-Y421 HydrophobicContact CG1-CE1 3.61Å; I404-Y421 HydrophobicContact CG1-CE2 4.27Å; Y421-A423 HydrophobicContact CE1-CB 4.36Å; Y421-Y463 HydrophobicContact CD1-CE2 4.4Å; Y421-Y463 PolarHBondContact O-OH 3.43Å
422	T	98.8	Very high	97.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	109.3	177	-52.4	0	0	0	0	110.4	A53 R114 F377 V378 V379 S381	A53-T422 HydrophobicContact CB-CG2 4.03Å; A53-T422 WeakPolarHBondContact CB-OG1 3.47Å; A53-T422 WeakPolarHBondContact O-CA 3.48Å; R114-T422 HydrophobicContact CB-CG2 4.18Å; F377-T422 WeakPolarHBondContact CE2-OG1 3.38Å; V378-T422 WeakPolarHBondContact O-CB 3.33Å; V378-T422 PolarHBondContact O-N 3.16Å; V378-T422 PolarHBondContact O-OG1 3.18Å; V379-T422 VanDerWaalsContact C-CB 3.46Å; V379-T422 VanDerWaalsContact O-CB 3.25Å; V379-T422 WeakPolarHBondContact O-CB 3.41Å; V379-T422 WeakPolarHBondContact O-CG2 3.31Å; S381-T422 PolarHBondContact N-O 3.21Å
423	A	98.6	Very high	97.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	135.7	168.7	0	0	0	0	0	110.1	A53 V54 G55 S381 L400 Y421 L442 Y463	A53-A423 PolarHBondContact O-N 3.49Å; V54-A423 WeakPolarHBondContact CA-O 3.3Å; G55-A423 PolarHBondContact N-O 3.41Å; S381-A423 CarbonylContact O-C 3.51Å; S381-A423 WeakPolarHBondContact O-CA 3.2Å; L400-A423 HydrophobicContact CD1-CB 4.08Å; Y421-A423 HydrophobicContact CE1-CB 4.36Å; A423-L442 HydrophobicContact CB-CD1 4.09Å; A423-Y463 HydrophobicContact CB-CD1 4.01Å; A423-Y463 HydrophobicContact CB-CE1 3.56Å; A423-Y463 HydrophobicContact CB-CE2 4.19Å; A423-Y463 HydrophobicContact CB-CG 4.49Å
424	W	98.2	Very high	97.1	Very high	1 Å²	1	18.5 Å²	18.5	0%	0.004	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	119.9	-179.7	-161.1	-76.7	0	0	0	111.8	T56 A57 H159 Q380 S381 R440	T56-W424 WeakPolarHBondContact O-CH2 3.46Å; A57-W424 HydrophobicContact CB-CH2 4.24Å; A57-W424 HydrophobicContact CB-CZ2 3.97Å; H159-W424 AromaticContact CE1-CH2 3.71Å; H159-W424 AromaticContact CE1-CZ2 3.93Å; Q380-W424 HydrophobicContact CB-CD2 4.36Å; Q380-W424 HydrophobicContact CB-CE3 3.95Å; Q380-W424 HydrophobicContact CG-CB 3.79Å; Q380-W424 HydrophobicContact CG-CD2 3.83Å; Q380-W424 HydrophobicContact CG-CE3 3.95Å; Q380-W424 HydrophobicContact CG-CG 3.77Å; S381-W424 PolarHBondContact O-N 2.98Å; W424-R440 CarbonylContact C-O 3.48Å
425	S	98.1	Very high	97	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.014	9%	0.09	C	C	.	.			cis	-118.2	170.3	7.3	51.8	0	0	0	0	113.4	G55 T427 R440 G441 L442	G55-S425 CarbonylContact O-C 3.31Å; G55-S425 VanDerWaalsContact O-CA 3.29Å; G55-S425 WeakPolarHBondContact O-CA 3.36Å; G55-S425 WeakPolarHBondContact O-CB 3.29Å; S425-T427 PolarHBondContact OG-O 2.85Å; S425-R440 PolarHBondContact N-O 3.14Å; S425-R440 VanDerWaalsContact OG-C 3.31Å; S425-R440 PolarHBondContact OG-O 2.97Å; S425-G441 CarbonylContact O-C 3.48Å; S425-G441 WeakPolarHBondContact O-CA 3.22Å; S425-G441 VanDerWaalsContact OG-CA 3.29Å; S425-G441 WeakPolarHBondContact OG-CA 3.46Å; S425-G441 PolarHBondContact OG-N 3.41Å; S425-L442 WeakPolarHBondContact O-CG 3.29Å; S425-L442 PolarHBondContact O-N 2.92Å
426	L	98.7	Very high	96.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.069	C	C	.	.	S	Bend	trans	-61	-53.4	171.5	178.8	66.9	0	0	0	110.9	V54 G55 T56 D101 A104 I105 L108 Y113 L442 Y443	V54-L426 HydrophobicContact CG1-CB 4.43Å; V54-L426 HydrophobicContact CG1-CD1 3.89Å; V54-L426 HydrophobicContact CG2-CB 3.81Å; V54-L426 HydrophobicContact CG2-CD1 4.08Å; G55-L426 PolarHBondContact O-N 2.97Å; T56-L426 HydrophobicContact CG2-CB 3.57Å; T56-L426 HydrophobicContact CG2-CD2 4.29Å; D101-L426 HydrophobicContact CB-CD2 4.25Å; A104-L426 HydrophobicContact CB-CD1 4.11Å; I105-L426 HydrophobicContact CD1-CD2 3.98Å; I105-L426 HydrophobicContact CG1-CD1 3.97Å; I105-L426 HydrophobicContact CG1-CD2 3.68Å; L108-L426 HydrophobicContact CD1-CD1 3.76Å; Y113-L426 HydrophobicContact CE2-CB 4.36Å; Y113-L426 HydrophobicContact CE2-CD2 3.77Å; L426-L442 PolarHBondContact O-N 3.25Å; L426-Y443 HydrophobicContact CD1-CD2 4.14Å; L426-Y443 HydrophobicContact CD1-CE2 4.27Å; L426-Y443 WeakPolarHBondContact O-CB 3.38Å; L426-Y443 WeakPolarHBondContact O-CD2 3.36Å; L426-Y443 PolarHBondContact O-N 3.43Å
427	T	98.4	Very high	96.7	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.006	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-125.5	158.6	-176.5	61.8	0	0	0	0	110.8	S92 S425 G441 Y443 R454	S92-T427 PolarHBondContact OG-OG1 2.94Å; S425-T427 PolarHBondContact OG-O 2.85Å; T427-G441 WeakPolarHBondContact O-CA 3.17Å; T427-Y443 WeakPolarHBondContact CA-O 3.2Å; T427-R454 HydrophobicContact CG2-CG 3.53Å
428	D	98.3	Very high	96.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.076	C	C	.	.			trans	-66.5	140.3	165.6	-69.1	-28.3	0	0	0	110.1	S92 R439 R440 G441 Y443 Y444 V445 F447 K457	S92-D428 PolarHBondContact OG-O 2.83Å; D428-R439 HydrophobicContact CB-CG 4.26Å; D428-R439 WeakPolarHBondContact OD1-CB 3.48Å; D428-R439 VanDerWaalsContact OD2-CD 3.3Å; D428-R439 WeakPolarHBondContact OD2-CD 3.5Å; D428-R439 IonicContact OD2-CZ 3.46Å; D428-R439 IonicContact OD2-NE 3.28Å; D428-R439 IonicContact OD2-NH1 2.75Å; D428-R439 PolarHBondContact OD2-NH1 3.19Å; D428-R440 PolarHBondContact OD1-N 2.91Å; D428-G441 WeakPolarHBondContact OD1-CA 3.44Å; D428-G441 PolarHBondContact OD1-N 2.89Å; D428-Y443 PolarHBondContact N-O 2.98Å; D428-Y444 WeakPolarHBondContact OD2-CA 3.45Å; D428-V445 HydrophobicContact CB-CB 4.35Å; D428-F447 HydrophobicContact CB-CZ 3.92Å; D428-K457 IonicContact OD1-NZ 2.7Å; D428-K457 PolarHBondContact OD1-NZ 2.85Å; D428-K457 VanDerWaalsContact OD2-CE 3.32Å; D428-K457 WeakPolarHBondContact OD2-CE 3.28Å; D428-K457 IonicContact OD2-NZ 2.96Å; D428-K457 PolarHBondContact OD2-NZ 3.29Å
429	G	96.8	Very high	96.4	Very high	3 Å²	3	14.4 Å²	14.4	3%	0.031	8%	0.078	C	C	.	.			trans	-157.1	-164.3	-179.6	0	0	0	0	0	111.7	Q60 E431	Q60-G429 CarbonylContact O-C 3.56Å; Q60-G429 VanDerWaalsContact O-CA 3.27Å; Q60-G429 WeakPolarHBondContact O-CA 3.43Å; G429-E431 PolarHBondContact O-N 2.9Å
430	F	97	Very high	96.4	Very high	1 Å²	1	12.8 Å²	12.8	0%	0.004	7%	0.069	C	C	.	.			trans	-73.7	117.6	178.5	-176.3	-95.9	0	0	0	111.2	Y59 Q60 W75 T79 W432 E435 Y436	Y59-F430 AromaticContact CD1-CD1 3.93Å; Y59-F430 HydrophobicContact CD1-CD1 3.93Å; Y59-F430 HydrophobicContact CD1-CE1 4.33Å; Y59-F430 AromaticContact CE1-CD1 3.69Å; Y59-F430 HydrophobicContact CE1-CD1 3.69Å; Y59-F430 AromaticContact CE1-CE1 3.78Å; Y59-F430 HydrophobicContact CE1-CE1 3.78Å; Q60-F430 VanDerWaalsContact CG-O 3.27Å; Q60-F430 WeakPolarHBondContact CG-O 3.38Å; Q60-F430 PolarHBondContact NE2-O 3.27Å; Q60-F430 VanDerWaalsContact NE2-O 3.13Å; Q60-F430 PolarHBondContact O-N 2.89Å; W75-F430 HydrophobicContact CE3-CE1 4.4Å; W75-F430 HydrophobicContact CZ3-CE1 4.43Å; T79-F430 HydrophobicContact CG2-CE1 3.97Å; T79-F430 HydrophobicContact CG2-CE2 4.45Å; T79-F430 HydrophobicContact CG2-CZ 3.58Å; F430-W432 WeakPolarHBondContact CE1-O 3.25Å; F430-W432 WeakPolarHBondContact CZ-O 3.47Å; F430-W432 PolarHBondContact O-N 2.9Å; F430-E435 HydrophobicContact CE2-CB 4.09Å; F430-E435 HydrophobicContact CE2-CG 3.99Å; F430-E435 HydrophobicContact CZ-CG 4.11Å; F430-Y436 HydrophobicContact CB-CE1 4.19Å; F430-Y436 HydrophobicContact CD2-CD2 4.38Å; F430-Y436 HydrophobicContact CD2-CE1 4.48Å; F430-Y436 AromaticContact CD2-CE2 3.82Å; F430-Y436 HydrophobicContact CD2-CE2 3.82Å; F430-Y436 AromaticContact CD2-CZ 3.87Å
431	E	95.7	Very high	96.4	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.009	7%	0.069	C	C	.	.			trans	-96.8	48.9	-174.3	-65.7	-63.3	158.9	0	0	113.4	Q60 G429 H433 R434 E435 I438 R440	Q60-E431 VanDerWaalsContact NE2-CD 3.3Å; Q60-E431 PolarHBondContact NE2-OE1 3.31Å; Q60-E431 PolarHBondContact NE2-OE2 3.46Å; G429-E431 PolarHBondContact O-N 2.9Å; E431-H433 PolarHBondContact O-N 2.98Å; E431-R434 HydrophobicContact CB-CB 4.36Å; E431-R434 WeakPolarHBondContact O-CB 3.34Å; E431-R434 PolarHBondContact O-N 2.66Å; E431-E435 WeakPolarHBondContact CA-O 3.46Å; E431-E435 WeakPolarHBondContact CB-O 3.48Å; E431-E435 PolarHBondContact N-O 3.31Å; E431-I438 HydrophobicContact CB-CD1 3.89Å; E431-I438 HydrophobicContact CB-CG1 3.73Å; E431-I438 HydrophobicContact CG-CD1 3.9Å; E431-I438 HydrophobicContact CG-CG1 3.87Å; E431-R440 WeakPolarHBondContact OE1-CD 3.36Å; E431-R440 WeakPolarHBondContact OE2-CD 3.36Å; E431-R440 IonicContact OE2-CZ 3.84Å; E431-R440 IonicContact OE2-NE 3.47Å; E431-R440 IonicContact OE2-NH1 3.49Å; E431-R440 PolarHBondContact OE2-NH1 3.46Å; E431-R440 VanDerWaalsContact OE2-NH1 3.1Å
432	W	93.9	Very high	96.4	Very high	10 Å²	10	12.8 Å²	12.8	4%	0.038	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	57.8	-123.5	170.8	-47.9	109.3	0	0	0	112.3	A57 Y59 Q60 W75 H159 W160 F430 R434 E435	A57-W432 HydrophobicContact CB-CZ2 4.22Å; Y59-W432 HydrophobicContact CD1-CE3 4.35Å; Y59-W432 AromaticContact CD1-CZ3 3.92Å; Y59-W432 HydrophobicContact CD1-CZ3 3.92Å; Y59-W432 HydrophobicContact CG-CZ3 4.28Å; Q60-W432 HydrophobicContact CG-CH2 4.12Å; Q60-W432 HydrophobicContact CG-CZ2 3.53Å; W75-W432 AromaticContact CD1-CZ3 3.94Å; W75-W432 AromaticContact CD2-CE3 3.92Å; W75-W432 HydrophobicContact CD2-CE3 3.92Å; W75-W432 HydrophobicContact CD2-CZ3 4.08Å; W75-W432 AromaticContact CE2-CE3 3.44Å; W75-W432 VanDerWaalsContact CE2-CE3 3.44Å; W75-W432 AromaticContact CE2-CZ3 3.64Å; W75-W432 HydrophobicContact CE3-CE3 4.3Å; W75-W432 HydrophobicContact CG-CZ3 4.26Å; W75-W432 HydrophobicContact CH2-CB 3.8Å; W75-W432 HydrophobicContact CH2-CD2 4.47Å; W75-W432 AromaticContact CH2-CE3 3.85Å; W75-W432 HydrophobicContact CH2-CE3 3.85Å; W75-W432 HydrophobicContact CZ2-CB 4.3Å; W75-W432 HydrophobicContact CZ2-CD2 4.17Å; W75-W432 AromaticContact CZ2-CE3 3.39Å; W75-W432 HydrophobicContact CZ2-CE3 3.39Å; W75-W432 HydrophobicContact CZ2-CZ3 4.03Å; W75-W432 HydrophobicContact CZ3-CB 4.41Å; W75-W432 HydrophobicContact CZ3-CE3 4.27Å; W75-W432 AromaticContact NE1-CE3 3.87Å; W75-W432 AromaticContact NE1-CZ3 3.55Å; H159-W432 AromaticContact CD2-CZ2 3.82Å; H159-W432 AromaticContact NE2-CZ2 3.9Å; W160-W432 HydrophobicContact CB-CH2 4.39Å; W160-W432 HydrophobicContact CB-CZ3 4.47Å; W160-W432 HydrophobicContact CD2-CH2 4.39Å; W160-W432 HydrophobicContact CD2-CZ2 4.32Å; W160-W432 AromaticContact CE3-CD2 3.59Å; W160-W432 HydrophobicContact CE3-CD2 3.59Å; W160-W432 AromaticContact CE3-CE2 3.51Å; W160-W432 AromaticContact CE3-CE3 3.82Å; W160-W432 HydrophobicContact CE3-CE3 3.82Å; W160-W432 HydrophobicContact CE3-CG 4.2Å; W160-W432 AromaticContact CE3-CH2 3.82Å; W160-W432 HydrophobicContact CE3-CH2 3.82Å; W160-W432 AromaticContact CE3-CZ2 3.63Å; W160-W432 HydrophobicContact CE3-CZ2 3.63Å; W160-W432 AromaticContact CE3-CZ3 3.93Å; W160-W432 HydrophobicContact CE3-CZ3 3.93Å; W160-W432 AromaticContact CZ3-CD1 3.68Å; W160-W432 AromaticContact CZ3-CD2 3.56Å; W160-W432 HydrophobicContact CZ3-CD2 3.56Å; W160-W432 AromaticContact CZ3-CE2 3.4Å; W160-W432 VanDerWaalsContact CZ3-CE2 3.4Å; W160-W432 HydrophobicContact CZ3-CE3 4.25Å; W160-W432 AromaticContact CZ3-CG 3.69Å; W160-W432 HydrophobicContact CZ3-CG 3.69Å; W160-W432 AromaticContact CZ3-CZ2 3.94Å; W160-W432 HydrophobicContact CZ3-CZ2 3.94Å; W160-W432 AromaticContact CZ3-NE1 3.49Å; F430-W432 WeakPolarHBondContact CE1-O 3.25Å; F430-W432 WeakPolarHBondContact CZ-O 3.47Å; F430-W432 PolarHBondContact O-N 2.9Å; W432-R434 PolarHBondContact O-N 2.84Å; W432-R434 VanDerWaalsContact O-N 3.13Å; W432-E435 PolarHBondContact O-N 2.85Å; W432-E435 VanDerWaalsContact O-N 3.09Å
433	H	90.8	Very high	96.3	Very high	42 Å²	42	12.9 Å²	12.9	19%	0.194	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-66.2	-9.3	177.4	71.7	-85.2	0	0	0	114.1	R84 V218 E431	R84-H433 PolarHBondContact NH1-O 3.29Å; V218-H433 HydrophobicContact CG1-CB 3.94Å; E431-H433 PolarHBondContact O-N 2.98Å
434	R	92.1	Very high	96.3	Very high	37 Å²	37	13.7 Å²	13.7	14%	0.14	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-101.8	0	175.5	-61.7	-174.1	-75.1	-164.5	-4.1	113.1	A339 Q344 E431 W432 Y436 G437 I438	A339-R434 PolarHBondContact O-NH2 3.48Å; Q344-R434 VanDerWaalsContact CD-NH1 3.28Å; E431-R434 HydrophobicContact CB-CB 4.36Å; E431-R434 WeakPolarHBondContact O-CB 3.34Å; E431-R434 PolarHBondContact O-N 2.66Å; W432-R434 PolarHBondContact O-N 2.84Å; W432-R434 VanDerWaalsContact O-N 3.13Å; R434-Y436 PolarHBondContact O-N 2.77Å; R434-G437 PolarHBondContact O-N 2.79Å; R434-I438 HydrophobicContact CB-CD1 4.44Å; R434-I438 HydrophobicContact CB-CG1 3.89Å; R434-I438 VanDerWaalsContact NE-CD1 3.25Å
435	E	93.4	Very high	96.3	Very high	23 Å²	23	13.6 Å²	13.6	11%	0.107	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	-129.8	172.7	-61.9	170.1	-142.8	0	0	110.3	R84 M85 A86 F430 E431 W432	R84-E435 WeakPolarHBondContact CD-OE1 3.3Å; R84-E435 IonicContact NH1-OE1 3.92Å; R84-E435 PolarHBondContact NH1-OE1 3.32Å; M85-E435 PolarHBondContact N-OE2 3.18Å; M85-E435 VanDerWaalsContact N-OE2 3.07Å; A86-E435 HydrophobicContact CB-CB 4.24Å; A86-E435 PolarHBondContact N-OE2 3.03Å; F430-E435 HydrophobicContact CE2-CB 4.09Å; F430-E435 HydrophobicContact CE2-CG 3.99Å; F430-E435 HydrophobicContact CZ-CG 4.11Å; E431-E435 WeakPolarHBondContact CA-O 3.46Å; E431-E435 WeakPolarHBondContact CB-O 3.48Å; E431-E435 PolarHBondContact N-O 3.31Å; W432-E435 PolarHBondContact O-N 2.85Å; W432-E435 VanDerWaalsContact O-N 3.09Å
436	Y	94.9	Very high	96.2	Very high	61 Å²	61	15.7 Å²	15.7	24%	0.239	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	14.2	173.5	-59	-77.8	0	0	0	113.1	A86 T87 F430 R434 I438 F447	A86-Y436 HydrophobicContact CB-CD2 3.73Å; A86-Y436 HydrophobicContact CB-CE2 3.91Å; T87-Y436 WeakPolarHBondContact O-CE2 3.42Å; T87-Y436 PolarHBondContact O-OH 3.29Å; F430-Y436 HydrophobicContact CB-CE1 4.19Å; F430-Y436 HydrophobicContact CD2-CD2 4.38Å; F430-Y436 HydrophobicContact CD2-CE1 4.48Å; F430-Y436 AromaticContact CD2-CE2 3.82Å; F430-Y436 HydrophobicContact CD2-CE2 3.82Å; F430-Y436 AromaticContact CD2-CZ 3.87Å; R434-Y436 PolarHBondContact O-N 2.77Å; Y436-I438 PolarHBondContact O-N 2.64Å; Y436-F447 AromaticContact CD1-CD2 3.86Å; Y436-F447 HydrophobicContact CD1-CD2 3.86Å; Y436-F447 HydrophobicContact CD1-CE1 4.23Å; Y436-F447 AromaticContact CD1-CE2 3.45Å; Y436-F447 HydrophobicContact CD1-CE2 3.45Å; Y436-F447 VanDerWaalsContact CD1-CE2 3.45Å; Y436-F447 HydrophobicContact CD1-CG 4.41Å; Y436-F447 AromaticContact CD1-CZ 3.65Å; Y436-F447 HydrophobicContact CD1-CZ 3.65Å; Y436-F447 HydrophobicContact CE1-CD1 4.17Å; Y436-F447 HydrophobicContact CE1-CD2 4.24Å; Y436-F447 AromaticContact CE1-CE1 3.9Å; Y436-F447 HydrophobicContact CE1-CE1 3.9Å; Y436-F447 AromaticContact CE1-CE2 3.97Å; Y436-F447 HydrophobicContact CE1-CE2 3.97Å; Y436-F447 HydrophobicContact CE1-CG 4.34Å; Y436-F447 AromaticContact CE1-CZ 3.79Å; Y436-F447 HydrophobicContact CE1-CZ 3.79Å; Y436-F447 HydrophobicContact CG-CD2 4.49Å; Y436-F447 HydrophobicContact CG-CE2 4.33Å
437	G	93.4	Very high	96	Very high	50 Å²	50	17.7 Å²	17.7	52%	0.515	9%	0.092	S	C	.	.	S	Bend	trans	-70.9	-13.7	-178.9	0	0	0	0	0	114.2	G387 R434	G387-G437 WeakPolarHBondContact CA-O 3.5Å; G387-G437 PolarHBondContact N-O 2.82Å; R434-G437 PolarHBondContact O-N 2.79Å
438	I	95.1	Very high	95.8	Very high	13 Å²	13	24.7 Å²	24.7	7%	0.067	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	163.8	175.2	61.7	143.3	0	0	0	110.8	Y384 V385 E431 R434 Y436 R440	Y384-I438 HydrophobicContact CD2-CB 3.86Å; Y384-I438 HydrophobicContact CD2-CD1 4.19Å; Y384-I438 HydrophobicContact CD2-CG2 3.51Å; Y384-I438 HydrophobicContact CE2-CG2 3.83Å; Y384-I438 HydrophobicContact CG-CB 4.44Å; Y384-I438 HydrophobicContact CG-CD1 4.02Å; Y384-I438 HydrophobicContact CG-CG2 4.45Å; V385-I438 VanDerWaalsContact O-CA 3.31Å; V385-I438 WeakPolarHBondContact O-CA 3.4Å; V385-I438 WeakPolarHBondContact O-CB 3.5Å; E431-I438 HydrophobicContact CB-CD1 3.89Å; E431-I438 HydrophobicContact CB-CG1 3.73Å; E431-I438 HydrophobicContact CG-CD1 3.9Å; E431-I438 HydrophobicContact CG-CG1 3.87Å; R434-I438 HydrophobicContact CB-CD1 4.44Å; R434-I438 HydrophobicContact CB-CG1 3.89Å; R434-I438 VanDerWaalsContact NE-CD1 3.25Å; Y436-I438 PolarHBondContact O-N 2.64Å; I438-R440 HydrophobicContact CD1-CG 4.12Å
439	R	97.4	Very high	95.5	Very high	20 Å²	20	26.8 Å²	26.8	8%	0.075	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	144.5	175.5	-77.6	171.6	-175.1	-81.7	-1.9	111.1	Y384 V385 G387 T389 D428 V445	Y384-R439 VanDerWaalsContact CA-O 3.28Å; Y384-R439 WeakPolarHBondContact CA-O 3.47Å; Y384-R439 WeakPolarHBondContact CB-O 3.31Å; V385-R439 HydrophobicContact CG2-CB 3.88Å; V385-R439 PolarHBondContact N-O 2.85Å; V385-R439 PolarHBondContact O-N 3.14Å; G387-R439 PolarHBondContact O-NE 3.34Å; T389-R439 WeakPolarHBondContact O-CD 3.45Å; D428-R439 HydrophobicContact CB-CG 4.26Å; D428-R439 WeakPolarHBondContact OD1-CB 3.48Å; D428-R439 VanDerWaalsContact OD2-CD 3.3Å; D428-R439 WeakPolarHBondContact OD2-CD 3.5Å; D428-R439 IonicContact OD2-CZ 3.46Å; D428-R439 IonicContact OD2-NE 3.28Å; D428-R439 IonicContact OD2-NH1 2.75Å; D428-R439 PolarHBondContact OD2-NH1 3.19Å; R439-V445 PolarHBondContact NH1-O 2.89Å
440	R	97.2	Very high	95.2	Very high	3 Å²	3	32.9 Å²	32.9	1%	0.011	18%	0.182	C	C	.	.			trans	-135	-8.6	-177.3	-64.3	174.7	74.5	-158.2	-3.9	113.7	T340 Q380 H396 W424 S425 D428 E431 I438	T340-R440 PolarHBondContact OG1-NH2 3.48Å; Q380-R440 VanDerWaalsContact NE2-NH2 3.18Å; H396-R440 PolarHBondContact CE1-O 3.28Å; W424-R440 CarbonylContact C-O 3.48Å; S425-R440 PolarHBondContact N-O 3.14Å; S425-R440 VanDerWaalsContact OG-C 3.31Å; S425-R440 PolarHBondContact OG-O 2.97Å; D428-R440 PolarHBondContact OD1-N 2.91Å; E431-R440 WeakPolarHBondContact OE1-CD 3.36Å; E431-R440 WeakPolarHBondContact OE2-CD 3.36Å; E431-R440 IonicContact OE2-CZ 3.84Å; E431-R440 IonicContact OE2-NE 3.47Å; E431-R440 IonicContact OE2-NH1 3.49Å; E431-R440 PolarHBondContact OE2-NH1 3.46Å; E431-R440 VanDerWaalsContact OE2-NH1 3.1Å; I438-R440 HydrophobicContact CD1-CG 4.12Å
441	G	98	Very high	94.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.201	C	C	.	.			trans	-70.9	142	-177.2	0	0	0	0	0	112.2	S425 T427 D428 Y443 K457	S425-G441 CarbonylContact O-C 3.48Å; S425-G441 WeakPolarHBondContact O-CA 3.22Å; S425-G441 VanDerWaalsContact OG-CA 3.29Å; S425-G441 WeakPolarHBondContact OG-CA 3.46Å; S425-G441 PolarHBondContact OG-N 3.41Å; T427-G441 WeakPolarHBondContact O-CA 3.17Å; D428-G441 WeakPolarHBondContact OD1-CA 3.44Å; D428-G441 PolarHBondContact OD1-N 2.89Å; G441-Y443 PolarHBondContact O-N 3.44Å; G441-K457 VanDerWaalsContact O-CD 3.23Å; G441-K457 WeakPolarHBondContact O-CD 3.26Å; G441-K457 WeakPolarHBondContact O-CE 3.36Å; G441-K457 PolarHBondContact O-NZ 3.27Å
442	L	98.7	Very high	94.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-67	-21.8	163.5	-63.2	-178.3	0	0	0	111.6	V54 L108 L400 A423 S425 L426 K457 S459 A460 Y463	V54-L442 HydrophobicContact CG2-CD1 3.99Å; L108-L442 HydrophobicContact CD1-CD1 4.03Å; L108-L442 HydrophobicContact CD2-CD1 4.26Å; L400-L442 HydrophobicContact CD2-CD2 4.03Å; A423-L442 HydrophobicContact CB-CD1 4.09Å; S425-L442 WeakPolarHBondContact O-CG 3.29Å; S425-L442 PolarHBondContact O-N 2.92Å; L426-L442 PolarHBondContact O-N 3.25Å; L442-K457 VanDerWaalsContact O-CB 3.28Å; L442-K457 WeakPolarHBondContact O-CB 3.41Å; L442-K457 VanDerWaalsContact O-CG 3.27Å; L442-K457 WeakPolarHBondContact O-CG 3.42Å; L442-K457 PolarHBondContact O-N 3.34Å; L442-S459 WeakPolarHBondContact CD2-OG 3.33Å; L442-A460 HydrophobicContact CB-CB 4.05Å; L442-A460 VanDerWaalsContact O-CB 3.23Å; L442-A460 WeakPolarHBondContact O-CB 3.48Å; L442-Y463 HydrophobicContact CD1-CD1 3.68Å; L442-Y463 HydrophobicContact CD1-CE1 4.36Å; L442-Y463 HydrophobicContact CD1-CG 4.37Å
443	Y	98.6	Very high	94.7	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.008	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.2	173	-72.6	-100.3	0	0	0	110.7	A104 Q107 L108 L426 T427 D428 G441 R454 E455 P456 A460	A104-Y443 HydrophobicContact CB-CD1 4Å; A104-Y443 HydrophobicContact CB-CD2 3.91Å; A104-Y443 HydrophobicContact CB-CE1 3.76Å; A104-Y443 HydrophobicContact CB-CE2 3.7Å; A104-Y443 HydrophobicContact CB-CG 4.06Å; A104-Y443 PolarHBondContact O-OH 2.61Å; A104-Y443 VanDerWaalsContact O-OH 3.12Å; Q107-Y443 WeakPolarHBondContact CB-OH 3.33Å; Q107-Y443 WeakPolarHBondContact CG-OH 3.44Å; Q107-Y443 PolarHBondContact OE1-OH 2.92Å; L108-Y443 HydrophobicContact CD1-CE2 3.94Å; L108-Y443 HydrophobicContact CD2-CE2 3.95Å; L108-Y443 HydrophobicContact CG-CE2 3.78Å; L426-Y443 HydrophobicContact CD1-CD2 4.14Å; L426-Y443 HydrophobicContact CD1-CE2 4.27Å; L426-Y443 WeakPolarHBondContact O-CB 3.38Å; L426-Y443 WeakPolarHBondContact O-CD2 3.36Å; L426-Y443 PolarHBondContact O-N 3.43Å; T427-Y443 WeakPolarHBondContact CA-O 3.2Å; D428-Y443 PolarHBondContact N-O 2.98Å; G441-Y443 PolarHBondContact O-N 3.44Å; Y443-R454 HydrophobicContact CD1-CB 3.8Å; Y443-R454 HydrophobicContact CG-CB 4.16Å; Y443-E455 CarbonylContact C-O 3.57Å; Y443-E455 VanDerWaalsContact CA-O 3.24Å; Y443-E455 WeakPolarHBondContact CA-O 3.24Å; Y443-P456 HydrophobicContact CD1-CB 4.14Å; Y443-P456 HydrophobicContact CE1-CB 3.7Å; Y443-P456 HydrophobicContact CE1-CG 4.44Å; Y443-A460 HydrophobicContact CE2-CB 4.12Å
444	Y	98.4	Very high	95.1	Very high	16 Å²	16	41.7 Å²	41.7	6%	0.063	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	141	171.4	173.5	-106.7	0	0	0	109.9	K390 T391 D428 D446 E455 K457	K390-Y444 HydrophobicContact CB-CD2 4.16Å; K390-Y444 HydrophobicContact CB-CE2 4.02Å; K390-Y444 HydrophobicContact CG-CE2 3.93Å; T391-Y444 HydrophobicContact CG2-CD1 4.37Å; T391-Y444 HydrophobicContact CG2-CG 4.4Å; D428-Y444 WeakPolarHBondContact OD2-CA 3.45Å; Y444-D446 HydrophobicContact CE1-CB 3.83Å; Y444-E455 HydrophobicContact CD1-CB 4.35Å; Y444-E455 PolarHBondContact N-O 3.04Å; Y444-E455 PolarHBondContact O-N 2.67Å; Y444-K457 VanDerWaalsContact CA-CE 3.44Å
445	V	97.9	Very high	95.3	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.236	C	C	.	.			trans	-130.6	122.3	172.6	-179.9	0	0	0	0	107.9	D428 R439 F447 M452	D428-V445 HydrophobicContact CB-CB 4.35Å; R439-V445 PolarHBondContact NH1-O 2.89Å; V445-F447 HydrophobicContact CB-CE1 4.15Å; V445-F447 HydrophobicContact CG1-CD1 3.98Å; V445-F447 HydrophobicContact CG1-CE1 4Å; V445-F447 PolarHBondContact O-N 2.91Å; V445-M452 HydrophobicContact CG1-CB 3.78Å; V445-M452 HydrophobicContact CG1-CG 4.25Å; V445-M452 HydrophobicContact CG1-SD 4.4Å
446	D	96.4	Very high	95.5	Very high	46 Å²	46	45.4 Å²	45.4	25%	0.246	25%	0.247	C	C	.	.			trans	-85.3	102.9	168.6	-166.7	-21.9	0	0	0	109.7	Y444 N448 T449	Y444-D446 HydrophobicContact CE1-CB 3.83Å; D446-N448 PolarHBondContact O-N 2.73Å; D446-N448 VanDerWaalsContact O-N 3.08Å; D446-N448 WeakPolarHBondContact OD1-CB 3.08Å; D446-N448 PolarHBondContact OD1-N 3.38Å; D446-N448 PolarHBondContact OD1-ND2 2.96Å; D446-T449 HydrophobicContact CB-CG2 3.87Å; D446-T449 PolarHBondContact O-N 3.39Å; D446-T449 VanDerWaalsContact O-N 3.09Å; D446-T449 PolarHBondContact O-OG1 3.31Å
447	F	94.8	Very high	95.6	Very high	42 Å²	42	42.7 Å²	42.7	18%	0.184	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-10.7	-178.3	-53.6	-63.7	0	0	0	113.8	G91 D428 Y436 V445	G91-F447 WeakPolarHBondContact O-CD1 3.5Å; D428-F447 HydrophobicContact CB-CZ 3.92Å; Y436-F447 AromaticContact CD1-CD2 3.86Å; Y436-F447 HydrophobicContact CD1-CD2 3.86Å; Y436-F447 HydrophobicContact CD1-CE1 4.23Å; Y436-F447 AromaticContact CD1-CE2 3.45Å; Y436-F447 HydrophobicContact CD1-CE2 3.45Å; Y436-F447 VanDerWaalsContact CD1-CE2 3.45Å; Y436-F447 HydrophobicContact CD1-CG 4.41Å; Y436-F447 AromaticContact CD1-CZ 3.65Å; Y436-F447 HydrophobicContact CD1-CZ 3.65Å; Y436-F447 HydrophobicContact CE1-CD1 4.17Å; Y436-F447 HydrophobicContact CE1-CD2 4.24Å; Y436-F447 AromaticContact CE1-CE1 3.9Å; Y436-F447 HydrophobicContact CE1-CE1 3.9Å; Y436-F447 AromaticContact CE1-CE2 3.97Å; Y436-F447 HydrophobicContact CE1-CE2 3.97Å; Y436-F447 HydrophobicContact CE1-CG 4.34Å; Y436-F447 AromaticContact CE1-CZ 3.79Å; Y436-F447 HydrophobicContact CE1-CZ 3.79Å; Y436-F447 HydrophobicContact CG-CD2 4.49Å; Y436-F447 HydrophobicContact CG-CE2 4.33Å; V445-F447 HydrophobicContact CB-CE1 4.15Å; V445-F447 HydrophobicContact CG1-CD1 3.98Å; V445-F447 HydrophobicContact CG1-CE1 4Å; V445-F447 PolarHBondContact O-N 2.91Å
448	N	92.8	Very high	95.7	Very high	148 Å²	148	40.8 Å²	40.8	79%	0.791	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-9.8	177.6	-51.5	-67.7	0	0	0	113	D446	D446-N448 PolarHBondContact O-N 2.73Å; D446-N448 VanDerWaalsContact O-N 3.08Å; D446-N448 WeakPolarHBondContact OD1-CB 3.08Å; D446-N448 PolarHBondContact OD1-N 3.38Å; D446-N448 PolarHBondContact OD1-ND2 2.96Å
449	T	93.3	Very high	95.8	Very high	43 Å²	43	40.2 Å²	40.2	26%	0.264	21%	0.211	S	C	.	.	S	Bend	trans	-91.2	138	-179.9	59.9	0	0	0	0	110.9	D446 D451 M452	D446-T449 HydrophobicContact CB-CG2 3.87Å; D446-T449 PolarHBondContact O-N 3.39Å; D446-T449 VanDerWaalsContact O-N 3.09Å; D446-T449 PolarHBondContact O-OG1 3.31Å; T449-D451 WeakPolarHBondContact CB-OD1 3.38Å; T449-D451 PolarHBondContact O-N 2.86Å; T449-D451 PolarHBondContact OG1-OD1 3.35Å; T449-M452 VanDerWaalsContact O-CG 3.26Å; T449-M452 WeakPolarHBondContact O-CG 3.4Å; T449-M452 PolarHBondContact O-N 3.1Å; T449-M452 PolarHBondContact OG1-N 2.87Å
450	P	88.8	Confident	95.8	Very high	132 Å²	132	39.4 Å²	39.4	86%	0.857	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-27	-179.8	-24.5	33.9	0	0	0	114.4
451	D	87	Confident	95.7	Very high	76 Å²	76	40.9 Å²	40.9	41%	0.406	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-8	-174.8	62.4	-18.5	0	0	0	114	T449 K453	T449-D451 WeakPolarHBondContact CB-OD1 3.38Å; T449-D451 PolarHBondContact O-N 2.86Å; T449-D451 PolarHBondContact OG1-OD1 3.35Å; D451-K453 PolarHBondContact O-N 3.06Å; D451-K453 WeakPolarHBondContact OD2-CE 3.25Å; D451-K453 WeakPolarHBondContact OD2-CG 3.45Å; D451-K453 IonicContact OD2-NZ 2.93Å
452	M	94.9	Very high	95.7	Very high	18 Å²	18	42.3 Å²	42.3	9%	0.089	23%	0.225	C	C	.	.			trans	40.4	50.7	173.7	-65.6	-163.3	-175.2	0	0	112.9	V90 D93 V445 T449 R454	V90-M452 HydrophobicContact CG1-CE 3.46Å; V90-M452 VanDerWaalsContact CG1-CE 3.46Å; V90-M452 HydrophobicContact CG1-SD 4.16Å; D93-M452 HydrophobicContact CB-SD 3.73Å; V445-M452 HydrophobicContact CG1-CB 3.78Å; V445-M452 HydrophobicContact CG1-CG 4.25Å; V445-M452 HydrophobicContact CG1-SD 4.4Å; T449-M452 VanDerWaalsContact O-CG 3.26Å; T449-M452 WeakPolarHBondContact O-CG 3.4Å; T449-M452 PolarHBondContact O-N 3.1Å; T449-M452 PolarHBondContact OG1-N 2.87Å; M452-R454 WeakPolarHBondContact O-CD 3.41Å; M452-R454 PolarHBondContact O-NH1 3.35Å
453	K	95.9	Very high	95.6	Very high	121 Å²	121	42.3 Å²	42.3	53%	0.526	23%	0.225	S	C	.	.			trans	-56.1	144.7	-174.8	-63.4	-171.5	-167.2	177	0	111.1	D451 E455	D451-K453 PolarHBondContact O-N 3.06Å; D451-K453 WeakPolarHBondContact OD2-CE 3.25Å; D451-K453 WeakPolarHBondContact OD2-CG 3.45Å; D451-K453 IonicContact OD2-NZ 2.93Å; K453-E455 HydrophobicContact CB-CG 4.34Å; K453-E455 PolarHBondContact O-N 3Å
454	R	97.9	Very high	95.6	Very high	24 Å²	24	46.7 Å²	46.7	9%	0.091	24%	0.241	C	C	.	.			trans	-88.2	99	171.8	-81.6	59.4	165.3	159.3	4.2	108.2	S92 S94 D101 A104 T427 Y443 M452	S92-R454 PolarHBondContact O-NH1 3.32Å; S92-R454 PolarHBondContact O-NH2 3.45Å; S94-R454 PolarHBondContact OG-NH2 2.73Å; S94-R454 VanDerWaalsContact OG-NH2 3.08Å; D101-R454 IonicContact OD1-CZ 2.67Å; D101-R454 VanDerWaalsContact OD1-CZ 3.29Å; D101-R454 IonicContact OD1-NE 3.73Å; D101-R454 PolarHBondContact OD1-NE 3.05Å; D101-R454 IonicContact OD1-NH2 3.62Å; D101-R454 PolarHBondContact OD1-NH2 2.8Å; D101-R454 IonicContact OD2-NH2 3.74Å; A104-R454 HydrophobicContact CB-CB 4.31Å; T427-R454 HydrophobicContact CG2-CG 3.53Å; Y443-R454 HydrophobicContact CD1-CB 3.8Å; Y443-R454 HydrophobicContact CG-CB 4.16Å; M452-R454 WeakPolarHBondContact O-CD 3.41Å; M452-R454 PolarHBondContact O-NH1 3.35Å
455	E	97.4	Very high	95.5	Very high	87 Å²	87	49 Å²	49	41%	0.407	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	123.3	179.5	-63.3	-174.7	167.5	0	0	110.4	T391 Y443 Y444 K453 K457	T391-E455 HydrophobicContact CG2-CB 4.05Å; Y443-E455 CarbonylContact C-O 3.57Å; Y443-E455 VanDerWaalsContact CA-O 3.24Å; Y443-E455 WeakPolarHBondContact CA-O 3.24Å; Y444-E455 HydrophobicContact CD1-CB 4.35Å; Y444-E455 PolarHBondContact N-O 3.04Å; Y444-E455 PolarHBondContact O-N 2.67Å; K453-E455 HydrophobicContact CB-CG 4.34Å; K453-E455 PolarHBondContact O-N 3Å; E455-K457 PolarHBondContact O-N 3.06Å
456	P	97.3	Very high	95.5	Very high	52 Å²	52	49.2 Å²	49.2	34%	0.338	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	129.3	-175.1	27.8	-34.7	0	0	0	111	Y443 A460	Y443-P456 HydrophobicContact CD1-CB 4.14Å; Y443-P456 HydrophobicContact CE1-CB 3.7Å; Y443-P456 HydrophobicContact CE1-CG 4.44Å; P456-A460 HydrophobicContact CB-CB 4.13Å
457	K	96.4	Very high	95.6	Very high	3 Å²	3	48 Å²	48	1%	0.013	25%	0.249	C	C	.	.			trans	-83.4	174.3	173.8	-53.1	-166.5	-176.1	164	0	112.4	K390 T391 D393 D428 G441 L442 Y444 E455 S459 A460 T461	K390-K457 WeakPolarHBondContact O-CD 3.43Å; K390-K457 VanDerWaalsContact O-CE 3.24Å; K390-K457 WeakPolarHBondContact O-CE 3.41Å; T391-K457 CarbonylContact O-C 3.6Å; T391-K457 WeakPolarHBondContact O-CA 3.43Å; T391-K457 VanDerWaalsContact O-CB 3.25Å; T391-K457 WeakPolarHBondContact O-CB 3.44Å; D393-K457 HydrophobicContact CB-CD 4.11Å; D393-K457 VanDerWaalsContact OD1-CB 3.29Å; D393-K457 WeakPolarHBondContact OD1-CB 3.43Å; D393-K457 WeakPolarHBondContact OD2-CD 3.43Å; D428-K457 IonicContact OD1-NZ 2.7Å; D428-K457 PolarHBondContact OD1-NZ 2.85Å; D428-K457 VanDerWaalsContact OD2-CE 3.32Å; D428-K457 WeakPolarHBondContact OD2-CE 3.28Å; D428-K457 IonicContact OD2-NZ 2.96Å; D428-K457 PolarHBondContact OD2-NZ 3.29Å; G441-K457 VanDerWaalsContact O-CD 3.23Å; G441-K457 WeakPolarHBondContact O-CD 3.26Å; G441-K457 WeakPolarHBondContact O-CE 3.36Å; G441-K457 PolarHBondContact O-NZ 3.27Å; L442-K457 VanDerWaalsContact O-CB 3.28Å; L442-K457 WeakPolarHBondContact O-CB 3.41Å; L442-K457 VanDerWaalsContact O-CG 3.27Å; L442-K457 WeakPolarHBondContact O-CG 3.42Å; L442-K457 PolarHBondContact O-N 3.34Å; Y444-K457 VanDerWaalsContact CA-CE 3.44Å; E455-K457 PolarHBondContact O-N 3.06Å; K457-S459 PolarHBondContact O-N 3.5Å; K457-A460 WeakPolarHBondContact O-CB 3.29Å; K457-A460 PolarHBondContact O-N 3.08Å; K457-A460 VanDerWaalsContact O-N 3.16Å; K457-T461 PolarHBondContact O-N 3.43Å
458	T	95.1	Very high	95.7	Very high	11 Å²	11	54 Å²	54	7%	0.067	28%	0.278	C	S	.	.	H	α-helix	trans	-56.5	-39.2	172.2	61.3	0	0	0	0	111.5	T391 D393 T461 F462 F707	T391-T458 PolarHBondContact O-N 2.92Å; D393-T458 PolarHBondContact N-OG1 3.37Å; D393-T458 VanDerWaalsContact N-OG1 3.17Å; D393-T458 PolarHBondContact OD1-N 2.86Å; D393-T458 VanDerWaalsContact OD1-N 3.13Å; D393-T458 PolarHBondContact OD1-OG1 2.89Å; T458-T461 PolarHBondContact O-N 3.07Å; T458-F462 PolarHBondContact O-N 2.92Å; T458-F707 HydrophobicContact CG2-CB 4.41Å; T458-F707 HydrophobicContact CG2-CD1 3.95Å; T458-F707 HydrophobicContact CG2-CE1 4.35Å; T458-F707 HydrophobicContact CG2-CG 4.1Å
459	S	96.8	Very high	95.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.4	-37.2	175.6	62.4	0	0	0	0	114.3	D393 L442 K457 T461 F462 Y463	D393-S459 PolarHBondContact OD1-N 3.15Å; D393-S459 PolarHBondContact OD1-OG 3.34Å; D393-S459 WeakPolarHBondContact OD2-CB 3.37Å; D393-S459 PolarHBondContact OD2-OG 2.99Å; L442-S459 WeakPolarHBondContact CD2-OG 3.33Å; K457-S459 PolarHBondContact O-N 3.5Å; S459-T461 VanDerWaalsContact C-N 3.35Å; S459-F462 PolarHBondContact O-N 2.85Å; S459-Y463 WeakPolarHBondContact O-CB 3.46Å; S459-Y463 PolarHBondContact O-N 3.16Å
460	A	97.9	Very high	96.1	Very high	3 Å²	3	51.8 Å²	51.8	3%	0.025	26%	0.259	C	S	.	.	H	α-helix	trans	-61.7	-44.3	173.2	0	0	0	0	0	111.4	L108 L442 Y443 P456 K457 Y463 R464	L108-A460 HydrophobicContact CD2-CB 3.88Å; L442-A460 HydrophobicContact CB-CB 4.05Å; L442-A460 VanDerWaalsContact O-CB 3.23Å; L442-A460 WeakPolarHBondContact O-CB 3.48Å; Y443-A460 HydrophobicContact CE2-CB 4.12Å; P456-A460 HydrophobicContact CB-CB 4.13Å; K457-A460 WeakPolarHBondContact O-CB 3.29Å; K457-A460 PolarHBondContact O-N 3.08Å; K457-A460 VanDerWaalsContact O-N 3.16Å; A460-Y463 PolarHBondContact O-N 3.42Å; A460-R464 WeakPolarHBondContact O-CB 3.4Å; A460-R464 PolarHBondContact O-N 3.45Å
461	T	96.1	Very high	96.5	Very high	35 Å²	35	45.6 Å²	45.6	22%	0.215	22%	0.219	C	C	.	.	H	α-helix	trans	-64.4	-43.6	178.9	-59.7	0	0	0	0	111.1	K457 T458 S459 N465 F707	K457-T461 PolarHBondContact O-N 3.43Å; T458-T461 PolarHBondContact O-N 3.07Å; S459-T461 VanDerWaalsContact C-N 3.35Å; T461-N465 PolarHBondContact O-N 3.35Å; T461-N465 PolarHBondContact O-ND2 3.48Å; T461-F707 HydrophobicContact CG2-CZ 3.95Å
462	F	96.4	Very high	96.9	Very high	29 Å²	29	43 Å²	43	13%	0.127	20%	0.204	C	C	.	.	H	α-helix	trans	-58.4	-51.6	173.1	166.7	-98.8	0	0	0	112	M397 L400 K401 I404 T458 S459 R464 N465 V466 F472	M397-F462 HydrophobicContact CG-CB 3.6Å; M397-F462 HydrophobicContact CG-CD1 3.93Å; M397-F462 HydrophobicContact CG-CD2 4.15Å; M397-F462 HydrophobicContact CG-CG 3.61Å; M397-F462 HydrophobicContact SD-CB 3.73Å; M397-F462 HydrophobicContact SD-CD2 4.37Å; M397-F462 HydrophobicContact SD-CG 4.13Å; L400-F462 HydrophobicContact CD2-CD1 4.18Å; L400-F462 HydrophobicContact CD2-CE1 4.34Å; L400-F462 HydrophobicContact CG-CD1 4.5Å; L400-F462 HydrophobicContact CG-CE1 4.19Å; K401-F462 HydrophobicContact CB-CE1 4.01Å; K401-F462 HydrophobicContact CB-CE2 4.08Å; K401-F462 HydrophobicContact CB-CZ 3.47Å; K401-F462 VanDerWaalsContact CB-CZ 3.47Å; K401-F462 HydrophobicContact CD-CE2 4.3Å; K401-F462 HydrophobicContact CD-CZ 4.44Å; K401-F462 HydrophobicContact CG-CE2 4.02Å; K401-F462 HydrophobicContact CG-CZ 3.69Å; I404-F462 HydrophobicContact CD1-CE1 4.36Å; T458-F462 PolarHBondContact O-N 2.92Å; S459-F462 PolarHBondContact O-N 2.85Å; F462-R464 PolarHBondContact O-N 3.18Å; F462-N465 WeakPolarHBondContact O-CB 3.41Å; F462-N465 PolarHBondContact O-N 3.24Å; F462-N465 VanDerWaalsContact O-N 3.1Å; F462-V466 HydrophobicContact CD1-CG2 4.47Å; F462-V466 HydrophobicContact CD2-CG2 4.31Å; F462-V466 HydrophobicContact CE1-CG2 3.95Å; F462-V466 HydrophobicContact CE2-CG2 3.76Å; F462-V466 HydrophobicContact CZ-CG2 3.54Å; F462-V466 PolarHBondContact O-N 2.66Å; F462-F472 HydrophobicContact CE2-CE1 4.2Å; F462-F472 AromaticContact CZ-CE1 3.99Å; F462-F472 HydrophobicContact CZ-CE1 3.99Å; F462-F472 HydrophobicContact CZ-CZ 4.29Å
463	Y	98.4	Very high	96.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.7	-42.4	-175.6	-169.7	-133.6	0	0	0	111.9	W52 A53 L108 V110 L400 I404 Y421 A423 L442 S459 A460 N465 V466 I467	W52-Y463 AromaticContact CE3-CE2 3.73Å; W52-Y463 HydrophobicContact CE3-CE2 3.73Å; W52-Y463 AromaticContact CZ3-CE2 3.88Å; W52-Y463 HydrophobicContact CZ3-CE2 3.88Å; A53-Y463 WeakPolarHBondContact O-CE1 3.4Å; A53-Y463 PolarHBondContact O-OH 3.02Å; L108-Y463 HydrophobicContact CD2-CD1 4.47Å; V110-Y463 HydrophobicContact CG1-CE1 3.94Å; L400-Y463 HydrophobicContact CD2-CD2 4.27Å; L400-Y463 HydrophobicContact CD2-CG 4.3Å; I404-Y463 HydrophobicContact CD1-CD2 3.85Å; I404-Y463 HydrophobicContact CD1-CE2 3.87Å; Y421-Y463 HydrophobicContact CD1-CE2 4.4Å; Y421-Y463 PolarHBondContact O-OH 3.43Å; A423-Y463 HydrophobicContact CB-CD1 4.01Å; A423-Y463 HydrophobicContact CB-CE1 3.56Å; A423-Y463 HydrophobicContact CB-CE2 4.19Å; A423-Y463 HydrophobicContact CB-CG 4.49Å; L442-Y463 HydrophobicContact CD1-CD1 3.68Å; L442-Y463 HydrophobicContact CD1-CE1 4.36Å; L442-Y463 HydrophobicContact CD1-CG 4.37Å; S459-Y463 WeakPolarHBondContact O-CB 3.46Å; S459-Y463 PolarHBondContact O-N 3.16Å; A460-Y463 PolarHBondContact O-N 3.42Å; Y463-N465 VanDerWaalsContact C-N 3.28Å; Y463-N465 PolarHBondContact O-N 2.7Å; Y463-V466 PolarHBondContact O-N 3.36Å; Y463-I467 HydrophobicContact CD1-CD1 3.78Å; Y463-I467 HydrophobicContact CD2-CD1 4.36Å; Y463-I467 HydrophobicContact CD2-CG1 4.42Å; Y463-I467 HydrophobicContact CE1-CD1 3.66Å; Y463-I467 HydrophobicContact CE2-CD1 4.23Å; Y463-I467 HydrophobicContact CE2-CG1 4.23Å; Y463-I467 HydrophobicContact CG-CD1 4.14Å; Y463-I467 VanDerWaalsContact O-CG1 3.29Å; Y463-I467 WeakPolarHBondContact O-CG1 3.45Å; Y463-I467 PolarHBondContact O-N 3.39Å
464	R	98	Very high	96.5	Very high	95 Å²	95	42.5 Å²	42.5	36%	0.358	21%	0.207	S	C	.	.	H	α-helix	trans	-54.1	-44.4	172.2	-177.4	-176.6	71.8	178.6	-2.1	112.2	Q107 A460 F462 I467 H468	Q107-R464 WeakPolarHBondContact O-CD 2.97Å; Q107-R464 WeakPolarHBondContact O-CG 3.19Å; A460-R464 WeakPolarHBondContact O-CB 3.4Å; A460-R464 PolarHBondContact O-N 3.45Å; F462-R464 PolarHBondContact O-N 3.18Å; R464-I467 PolarHBondContact O-N 3.08Å; R464-H468 WeakPolarHBondContact O-CB 3.28Å; R464-H468 PolarHBondContact O-N 3.22Å
465	N	96.6	Very high	95.8	Very high	63 Å²	63	44.9 Å²	44.9	34%	0.337	22%	0.222	S	C	.	.	H	α-helix	trans	-68.4	-36.9	-179.5	-69.4	-15.2	0	0	0	112.2	T461 F462 Y463 K469	T461-N465 PolarHBondContact O-N 3.35Å; T461-N465 PolarHBondContact O-ND2 3.48Å; F462-N465 WeakPolarHBondContact O-CB 3.41Å; F462-N465 PolarHBondContact O-N 3.24Å; F462-N465 VanDerWaalsContact O-N 3.1Å; Y463-N465 VanDerWaalsContact C-N 3.28Å; Y463-N465 PolarHBondContact O-N 2.7Å; N465-K469 WeakPolarHBondContact O-CB 3.34Å; N465-K469 WeakPolarHBondContact O-CG 3.44Å; N465-K469 PolarHBondContact O-N 2.71Å; N465-K469 VanDerWaalsContact O-N 3.15Å
466	V	97.6	Very high	95	Very high	6 Å²	6	45.5 Å²	45.5	4%	0.036	23%	0.233	C	C	.	.	H	α-helix	trans	-63.3	-46.3	173.8	173.1	0	0	0	0	110.6	W52 I404 F462 Y463 K469 N470 G471 F472	W52-V466 HydrophobicContact CH2-CG1 3.71Å; W52-V466 HydrophobicContact CZ2-CG1 4.16Å; W52-V466 HydrophobicContact CZ3-CG1 4.2Å; I404-V466 HydrophobicContact CG2-CG1 4.24Å; F462-V466 HydrophobicContact CD1-CG2 4.47Å; F462-V466 HydrophobicContact CD2-CG2 4.31Å; F462-V466 HydrophobicContact CE1-CG2 3.95Å; F462-V466 HydrophobicContact CE2-CG2 3.76Å; F462-V466 HydrophobicContact CZ-CG2 3.54Å; F462-V466 PolarHBondContact O-N 2.66Å; Y463-V466 PolarHBondContact O-N 3.36Å; V466-K469 CarbonylContact O-C 3.6Å; V466-K469 PolarHBondContact O-N 3.15Å; V466-N470 WeakPolarHBondContact O-CA 3.34Å; V466-N470 PolarHBondContact O-N 2.74Å; V466-G471 PolarHBondContact O-N 2.73Å; V466-F472 HydrophobicContact CG2-CD1 4.45Å; V466-F472 HydrophobicContact CG2-CE1 3.73Å; V466-F472 HydrophobicContact CG2-CZ 4.27Å
467	I	98.3	Very high	94	Very high	20 Å²	20	49.1 Å²	49.1	10%	0.103	25%	0.246	C	C	.	.	H	α-helix	trans	-61.9	-48.3	178.9	-63.6	164.8	0	0	0	110.6	W52 G109 V110 Y463 R464 K469 N470	W52-I467 HydrophobicContact CB-CD1 4.23Å; W52-I467 HydrophobicContact CB-CG1 3.9Å; W52-I467 HydrophobicContact CB-CG2 4.14Å; W52-I467 HydrophobicContact CD2-CG1 3.89Å; W52-I467 HydrophobicContact CE3-CG1 4.12Å; W52-I467 HydrophobicContact CG-CB 4.37Å; W52-I467 HydrophobicContact CG-CG1 3.81Å; W52-I467 HydrophobicContact CG-CG2 4.06Å; G109-I467 WeakPolarHBondContact O-CG2 3.43Å; V110-I467 HydrophobicContact CG1-CD1 3.64Å; Y463-I467 HydrophobicContact CD1-CD1 3.78Å; Y463-I467 HydrophobicContact CD2-CD1 4.36Å; Y463-I467 HydrophobicContact CD2-CG1 4.42Å; Y463-I467 HydrophobicContact CE1-CD1 3.66Å; Y463-I467 HydrophobicContact CE2-CD1 4.23Å; Y463-I467 HydrophobicContact CE2-CG1 4.23Å; Y463-I467 HydrophobicContact CG-CD1 4.14Å; Y463-I467 VanDerWaalsContact O-CG1 3.29Å; Y463-I467 WeakPolarHBondContact O-CG1 3.45Å; Y463-I467 PolarHBondContact O-N 3.39Å; R464-I467 PolarHBondContact O-N 3.08Å; I467-K469 PolarHBondContact O-N 2.83Å; I467-N470 PolarHBondContact O-N 3.07Å
468	H	97.3	Very high	93.1	Very high	168 Å²	168	51 Å²	51	78%	0.778	26%	0.256	S	S	*	.	H	α-helix	trans	-59.3	-33.9	179.6	-177	-77.8	0	0	0	112.7	R464	R464-H468 WeakPolarHBondContact O-CB 3.28Å; R464-H468 PolarHBondContact O-N 3.22Å
469	K	96.9	Very high	92.8	Very high	109 Å²	109	56.8 Å²	56.8	47%	0.474	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-0.5	177.3	-67.3	-177.7	179.4	-175.6	0	113.5	N465 V466 I467 G471 P473	N465-K469 WeakPolarHBondContact O-CB 3.34Å; N465-K469 WeakPolarHBondContact O-CG 3.44Å; N465-K469 PolarHBondContact O-N 2.71Å; N465-K469 VanDerWaalsContact O-N 3.15Å; V466-K469 CarbonylContact O-C 3.6Å; V466-K469 PolarHBondContact O-N 3.15Å; I467-K469 PolarHBondContact O-N 2.83Å; K469-G471 PolarHBondContact O-N 3.35Å; K469-P473 HydrophobicContact CB-CG 3.98Å; K469-P473 HydrophobicContact CD-CG 4Å; K469-P473 HydrophobicContact CG-CG 4.34Å
470	N	97.9	Very high	92.4	Very high	36 Å²	36	60.3 Å²	60.3	19%	0.193	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.9	41.9	-170.7	-162.4	30.4	0	0	0	113.7	T45 F46 P47 W52 V466 I467	T45-N470 CarbonylContact C-O 3.59Å; T45-N470 VanDerWaalsContact CA-O 3.24Å; T45-N470 WeakPolarHBondContact CA-O 3.13Å; T45-N470 WeakPolarHBondContact CB-O 3.04Å; F46-N470 PolarHBondContact N-O 3.15Å; F46-N470 PolarHBondContact O-ND2 2.63Å; P47-N470 PolarHBondContact O-ND2 3.12Å; W52-N470 PolarHBondContact NE1-OD1 2.99Å; V466-N470 WeakPolarHBondContact O-CA 3.34Å; V466-N470 PolarHBondContact O-N 2.74Å; I467-N470 PolarHBondContact O-N 3.07Å
471	G	96.9	Very high	92.1	Very high	2 Å²	2	61 Å²	61	2%	0.021	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	129.1	-144	-177.5	0	0	0	0	0	113.8	V466 K469 P473	V466-G471 PolarHBondContact O-N 2.73Å; K469-G471 PolarHBondContact O-N 3.35Å; G471-P473 VanDerWaalsContact C-CD 3.48Å; G471-P473 WeakPolarHBondContact O-CD 3.1Å
472	F	95.9	Very high	92	Very high	22 Å²	22	65 Å²	65	10%	0.096	32%	0.321	C	S	.	.			trans	-122	66.5	-173.9	-52.3	-72.2	0	0	0	110.8	F41 Y43 D44 K401 I404 A405 L408 F462 V466 E474	F41-F472 HydrophobicContact CE1-CB 3.79Å; F41-F472 HydrophobicContact CE1-CD1 4.35Å; F41-F472 HydrophobicContact CE1-CD2 4.28Å; F41-F472 AromaticContact CE1-CG 3.91Å; F41-F472 HydrophobicContact CE1-CG 3.91Å; F41-F472 HydrophobicContact CZ-CB 3.98Å; F41-F472 AromaticContact CZ-CD1 3.78Å; F41-F472 HydrophobicContact CZ-CD1 3.78Å; F41-F472 AromaticContact CZ-CD2 3.7Å; F41-F472 HydrophobicContact CZ-CD2 3.7Å; F41-F472 HydrophobicContact CZ-CE1 4.14Å; F41-F472 HydrophobicContact CZ-CE2 4.07Å; F41-F472 AromaticContact CZ-CG 3.54Å; F41-F472 HydrophobicContact CZ-CG 3.54Å; F41-F472 HydrophobicContact CZ-CZ 4.27Å; Y43-F472 CarbonylContact C-O 3.49Å; Y43-F472 VanDerWaalsContact C-O 3.23Å; Y43-F472 WeakPolarHBondContact CA-O 3.21Å; Y43-F472 WeakPolarHBondContact CB-O 3.25Å; Y43-F472 HydrophobicContact CD1-CB 4.47Å; D44-F472 PolarHBondContact N-O 3.03Å; D44-F472 CarbonylContact O-C 3.55Å; D44-F472 PolarHBondContact O-N 2.56Å; K401-F472 HydrophobicContact CG-CE1 4.35Å; K401-F472 HydrophobicContact CG-CZ 4.33Å; I404-F472 HydrophobicContact CB-CE2 4.42Å; I404-F472 HydrophobicContact CB-CZ 4.26Å; I404-F472 HydrophobicContact CG2-CE2 3.82Å; I404-F472 HydrophobicContact CG2-CZ 3.9Å; A405-F472 HydrophobicContact CB-CE2 4.04Å; L408-F472 HydrophobicContact CD2-CD2 3.95Å; F462-F472 HydrophobicContact CE2-CE1 4.2Å; F462-F472 AromaticContact CZ-CE1 3.99Å; F462-F472 HydrophobicContact CZ-CE1 3.99Å; F462-F472 HydrophobicContact CZ-CZ 4.29Å; V466-F472 HydrophobicContact CG2-CD1 4.45Å; V466-F472 HydrophobicContact CG2-CE1 3.73Å; V466-F472 HydrophobicContact CG2-CZ 4.27Å; F472-E474 PolarHBondContact O-N 2.98Å
473	P	93.4	Very high	91.7	Very high	46 Å²	46	64.4 Å²	64.4	30%	0.299	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-58.1	140.4	-179.2	26.4	-35.5	0	0	0	111	T45 K469 G471 L475	T45-P473 HydrophobicContact CG2-CB 4.33Å; K469-P473 HydrophobicContact CB-CG 3.98Å; K469-P473 HydrophobicContact CD-CG 4Å; K469-P473 HydrophobicContact CG-CG 4.34Å; G471-P473 VanDerWaalsContact C-CD 3.48Å; G471-P473 WeakPolarHBondContact O-CD 3.1Å; P473-L475 PolarHBondContact O-N 3.34Å
474	E	87.6	Confident	91.4	Very high	81 Å²	81	67.4 Å²	67.4	38%	0.379	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-63.8	125.1	179.9	-166.8	-169.4	-143.2	0	0	110.4	Y43 F472 R479	Y43-E474 HydrophobicContact CG-CB 4.39Å; Y43-E474 HydrophobicContact CG-CG 4.38Å; F472-E474 PolarHBondContact O-N 2.98Å; E474-R479 HydrophobicContact CG-CG 4.29Å; E474-R479 WeakPolarHBondContact OE2-CG 3.22Å; E474-R479 IonicContact OE2-CZ 3.28Å; E474-R479 IonicContact OE2-NE 3.75Å; E474-R479 PolarHBondContact OE2-NE 2.88Å; E474-R479 IonicContact OE2-NH2 3.13Å
475	L	82.8	Confident	91.3	Very high	74 Å²	74	63 Å²	63	39%	0.387	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-82.9	145.9	176.2	-58.7	176.6	0	0	0	110	P473 E477 N478	P473-L475 PolarHBondContact O-N 3.34Å; L475-E477 PolarHBondContact O-N 3.39Å; L475-E477 VanDerWaalsContact O-N 3.1Å; L475-N478 PolarHBondContact O-N 3.48Å
476	P	82.1	Confident	91.1	Very high	101 Å²	101	61.1 Å²	61.1	66%	0.656	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-53.1	-34.3	177	-27.4	35.1	0	0	0	113.7	N478 R479	P476-N478 VanDerWaalsContact C-N 3.26Å; P476-N478 PolarHBondContact O-N 3.21Å; P476-R479 PolarHBondContact O-N 3.42Å
477	E	76.1	Confident	90.7	Very high	127 Å²	127	63.6 Å²	63.6	59%	0.593	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-62.8	-29.8	178.8	-65.7	171.3	-146.8	0	0	113.3	L475 K866	L475-E477 PolarHBondContact O-N 3.39Å; L475-E477 VanDerWaalsContact O-N 3.1Å; E477-K866 PolarHBondContact O-NZ 2.94Å
478	N	77.8	Confident	90.4	Very high	43 Å²	43	68.2 Å²	68.2	23%	0.23	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-85.2	-12.6	-177.7	-66	-19.8	0	0	0	112.9	Y43 L475 P476	Y43-N478 WeakPolarHBondContact CE1-ND2 3.39Å; Y43-N478 HydrophobicContact CE2-CB 4.5Å; Y43-N478 VanDerWaalsContact CZ-ND2 3.31Å; Y43-N478 PolarHBondContact OH-ND2 3.24Å; L475-N478 PolarHBondContact O-N 3.48Å; P476-N478 VanDerWaalsContact C-N 3.26Å; P476-N478 PolarHBondContact O-N 3.21Å
479	R	87	Confident	90.4	Very high	133 Å²	133	60.3 Å²	60.3	50%	0.502	32%	0.318	S	S	.	.	S	Bend	trans	-70.5	139.2	-179.3	-69.8	-178.6	177.8	165.8	5.6	111.2	E474 P476 A481 K866	E474-R479 HydrophobicContact CG-CG 4.29Å; E474-R479 WeakPolarHBondContact OE2-CG 3.22Å; E474-R479 IonicContact OE2-CZ 3.28Å; E474-R479 IonicContact OE2-NE 3.75Å; E474-R479 PolarHBondContact OE2-NE 2.88Å; E474-R479 IonicContact OE2-NH2 3.13Å; P476-R479 PolarHBondContact O-N 3.42Å; R479-A481 PolarHBondContact O-N 3.18Å; R479-K866 WeakPolarHBondContact O-CE 3.46Å; R479-K866 PolarHBondContact O-NZ 3.27Å
480	P	89.8	Confident	90.4	Very high	74 Å²	74	55.2 Å²	55.2	48%	0.481	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-56.6	132.1	174.7	-24.7	34.1	0	0	0	111.5	N862	P480-N862 VanDerWaalsContact CA-OD1 3.32Å; P480-N862 WeakPolarHBondContact CA-OD1 3.47Å
481	A	91.8	Very high	90.4	Very high	17 Å²	17	53.8 Å²	53.8	14%	0.14	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-83.3	147	173.2	0	0	0	0	0	110.8	R479 N862 K866	R479-A481 PolarHBondContact O-N 3.18Å; A481-N862 PolarHBondContact N-OD1 3.34Å; A481-N862 PolarHBondContact O-ND2 3.12Å; A481-K866 HydrophobicContact CB-CD 4.4Å; A481-K866 HydrophobicContact CB-CG 3.55Å
482	Q	92.5	Very high	90.5	Very high	119 Å²	119	53.7 Å²	53.7	56%	0.556	29%	0.287	S	S	*	.			trans	-105.4	139.6	167.9	-64.9	-179.8	-2.5	0	0	108.8	F919 I921	Q482-F919 CarbonylContact C-O 3.48Å; Q482-F919 VanDerWaalsContact CA-O 3.26Å; Q482-F919 WeakPolarHBondContact CA-O 3.33Å; Q482-I921 HydrophobicContact CB-CG1 3.95Å
483	G	91	Very high	90.5	Very high	17 Å²	17	52.6 Å²	52.6	18%	0.175	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.3	174.4	-176.6	0	0	0	0	0	112.4	L865 F919	G483-L865 WeakPolarHBondContact O-CD2 3.41Å; G483-F919 PolarHBondContact N-O 2.93Å; G483-F919 CarbonylContact O-C 3.52Å; G483-F919 VanDerWaalsContact O-C 3.24Å; G483-F919 PolarHBondContact O-N 2.91Å
484	M	92.7	Very high	90.6	Very high	63 Å²	63	50.5 Å²	50.5	31%	0.31	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	150.4	179.7	-62.8	174.1	-63.9	0	0	109.7	N917 P920 Q927	M484-N917 CarbonylContact C-O 3.52Å; M484-N917 VanDerWaalsContact CA-O 3.26Å; M484-N917 WeakPolarHBondContact CA-O 3.27Å; M484-P920 HydrophobicContact CG-CB 4.28Å; M484-P920 HydrophobicContact SD-CB 4.3Å; M484-Q927 HydrophobicContact CE-CB 3.8Å; M484-Q927 HydrophobicContact CE-CG 4.15Å; M484-Q927 HydrophobicContact SD-CB 3.76Å
485	F	95.4	Very high	90.9	Very high	1 Å²	1	47 Å²	47	0%	0.004	25%	0.254	C	S	.	.			trans	-75.7	171.3	171.3	-71.1	-78.4	0	0	0	111	F489 W491 I861 A864 L865 F868 L875 N917	F485-F489 HydrophobicContact CB-CB 3.96Å; F485-F489 HydrophobicContact CB-CD1 4.18Å; F485-F489 HydrophobicContact CB-CD2 3.84Å; F485-F489 HydrophobicContact CB-CE2 4.32Å; F485-F489 HydrophobicContact CB-CG 3.75Å; F485-F489 AromaticContact CD1-CD2 3.85Å; F485-F489 HydrophobicContact CD1-CD2 3.85Å; F485-F489 HydrophobicContact CD1-CE1 4.36Å; F485-F489 AromaticContact CD1-CE2 3.47Å; F485-F489 HydrophobicContact CD1-CE2 3.47Å; F485-F489 VanDerWaalsContact CD1-CE2 3.47Å; F485-F489 HydrophobicContact CD1-CG 4.42Å; F485-F489 AromaticContact CD1-CZ 3.76Å; F485-F489 HydrophobicContact CD1-CZ 3.76Å; F485-F489 HydrophobicContact CD2-CE1 4.48Å; F485-F489 AromaticContact CE1-CE2 3.96Å; F485-F489 HydrophobicContact CE1-CE2 3.96Å; F485-F489 AromaticContact CE1-CZ 3.92Å; F485-F489 HydrophobicContact CE1-CZ 3.92Å; F485-F489 HydrophobicContact CG-CD1 4.27Å; F485-F489 HydrophobicContact CG-CD2 4.04Å; F485-F489 HydrophobicContact CG-CE1 4.24Å; F485-F489 AromaticContact CG-CE2 4Å; F485-F489 HydrophobicContact CG-CE2 4Å; F485-F489 HydrophobicContact CG-CG 4.16Å; F485-F489 HydrophobicContact CG-CZ 4.1Å; F485-F489 HydrophobicContact CZ-CZ 4.37Å; F485-W491 AromaticContact CD2-CH2 3.78Å; F485-W491 HydrophobicContact CD2-CH2 3.78Å; F485-W491 AromaticContact CD2-CZ2 3.51Å; F485-W491 HydrophobicContact CD2-CZ2 3.51Å; F485-W491 AromaticContact CE2-CH2 3.68Å; F485-W491 HydrophobicContact CE2-CH2 3.68Å; F485-W491 AromaticContact CE2-CZ2 3.94Å; F485-W491 HydrophobicContact CE2-CZ2 3.94Å; F485-W491 HydrophobicContact CG-CZ2 4.34Å; F485-I861 HydrophobicContact CE2-CG2 3.89Å; F485-I861 HydrophobicContact CZ-CG2 4.19Å; F485-A864 HydrophobicContact CZ-CB 4.49Å; F485-L865 HydrophobicContact CD1-CD1 4.09Å; F485-L865 HydrophobicContact CD2-CD1 4.1Å; F485-L865 HydrophobicContact CE1-CB 4.11Å; F485-L865 HydrophobicContact CE1-CD1 3.94Å; F485-L865 HydrophobicContact CE2-CB 4.05Å; F485-L865 HydrophobicContact CE2-CD1 3.98Å; F485-L865 HydrophobicContact CG-CD1 4.18Å; F485-L865 HydrophobicContact CZ-CB 3.57Å; F485-L865 HydrophobicContact CZ-CD1 3.92Å; F485-L865 HydrophobicContact CZ-CG 4.36Å; F485-F868 HydrophobicContact CD1-CB 4.48Å; F485-F868 HydrophobicContact CD1-CD1 4.23Å; F485-F868 HydrophobicContact CD1-CG 4.42Å; F485-F868 HydrophobicContact CE1-CB 4.32Å; F485-L875 HydrophobicContact CE1-CD2 3.89Å; F485-N917 PolarHBondContact N-O 3.09Å; F485-N917 PolarHBondContact O-ND2 3.26Å
486	P	92.9	Very high	90.9	Very high	25 Å²	25	45.4 Å²	45.4	16%	0.162	25%	0.245	C	C	.	.			trans	-56.8	155.1	170.9	-26	36.5	0	0	0	112.7	D488 F489 F868 N917	P486-D488 VanDerWaalsContact C-N 3.26Å; P486-D488 VanDerWaalsContact CB-OD1 3.29Å; P486-D488 WeakPolarHBondContact CB-OD1 3.4Å; P486-D488 PolarHBondContact O-N 3.23Å; P486-F489 WeakPolarHBondContact O-CB 3.43Å; P486-F489 PolarHBondContact O-N 3.26Å; P486-F868 HydrophobicContact CG-CE1 4.18Å; P486-F868 HydrophobicContact CG-CE2 3.65Å; P486-F868 HydrophobicContact CG-CZ 3.46Å; P486-F868 VanDerWaalsContact CG-CZ 3.46Å; P486-N917 PolarHBondContact O-ND2 2.6Å; P486-N917 VanDerWaalsContact O-ND2 3.07Å
487	C	89.6	Confident	91	Very high	58 Å²	58	43 Å²	43	39%	0.392	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-28.2	-179.8	-73.1	0	0	0	0	113.8	F489 Q927 C929	C487-F489 VanDerWaalsContact C-N 3.3Å; C487-Q927 PolarHBondContact SG-NE2 3.31Å; C487-C929 VanDerWaalsContact CA-SG 3.6Å; C487-C929 HydrophobicContact CB-CB 3.63Å; C487-C929 WeakPolarHBondContact CB-SG 3.47Å; C487-C929 WeakPolarHBondContact SG-CA 3.48Å; C487-C929 WeakPolarHBondContact SG-CB 3.37Å; C487-C929 CovalentContact SG-SG 2.04Å; C487-C929 PolarHBondContact SG-SG 3.16Å
488	D	90.6	Very high	91.6	Very high	117 Å²	117	37.2 Å²	37.2	63%	0.626	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	14.7	178.3	65.7	-33.6	0	0	0	112.8	P486 A490	P486-D488 VanDerWaalsContact C-N 3.26Å; P486-D488 VanDerWaalsContact CB-OD1 3.29Å; P486-D488 WeakPolarHBondContact CB-OD1 3.4Å; P486-D488 PolarHBondContact O-N 3.23Å; D488-A490 PolarHBondContact O-N 3.04Å
489	F	96.8	Very high	91.9	Very high	2 Å²	2	38 Å²	38	1%	0.009	21%	0.206	C	C	.	.			trans	-63.3	131.1	-179.4	-166.5	-97.8	0	0	0	111.8	F485 P486 C487 W491 N559 L875	F485-F489 HydrophobicContact CB-CB 3.96Å; F485-F489 HydrophobicContact CB-CD1 4.18Å; F485-F489 HydrophobicContact CB-CD2 3.84Å; F485-F489 HydrophobicContact CB-CE2 4.32Å; F485-F489 HydrophobicContact CB-CG 3.75Å; F485-F489 AromaticContact CD1-CD2 3.85Å; F485-F489 HydrophobicContact CD1-CD2 3.85Å; F485-F489 HydrophobicContact CD1-CE1 4.36Å; F485-F489 AromaticContact CD1-CE2 3.47Å; F485-F489 HydrophobicContact CD1-CE2 3.47Å; F485-F489 VanDerWaalsContact CD1-CE2 3.47Å; F485-F489 HydrophobicContact CD1-CG 4.42Å; F485-F489 AromaticContact CD1-CZ 3.76Å; F485-F489 HydrophobicContact CD1-CZ 3.76Å; F485-F489 HydrophobicContact CD2-CE1 4.48Å; F485-F489 AromaticContact CE1-CE2 3.96Å; F485-F489 HydrophobicContact CE1-CE2 3.96Å; F485-F489 AromaticContact CE1-CZ 3.92Å; F485-F489 HydrophobicContact CE1-CZ 3.92Å; F485-F489 HydrophobicContact CG-CD1 4.27Å; F485-F489 HydrophobicContact CG-CD2 4.04Å; F485-F489 HydrophobicContact CG-CE1 4.24Å; F485-F489 AromaticContact CG-CE2 4Å; F485-F489 HydrophobicContact CG-CE2 4Å; F485-F489 HydrophobicContact CG-CG 4.16Å; F485-F489 HydrophobicContact CG-CZ 4.1Å; F485-F489 HydrophobicContact CZ-CZ 4.37Å; P486-F489 WeakPolarHBondContact O-CB 3.43Å; P486-F489 PolarHBondContact O-N 3.26Å; C487-F489 VanDerWaalsContact C-N 3.3Å; F489-W491 AromaticContact CD1-CD1 3.97Å; F489-W491 AromaticContact CD1-CD2 3.79Å; F489-W491 HydrophobicContact CD1-CD2 3.79Å; F489-W491 AromaticContact CD1-CE2 3.53Å; F489-W491 HydrophobicContact CD1-CE3 4.36Å; F489-W491 HydrophobicContact CD1-CG 4.1Å; F489-W491 HydrophobicContact CD1-CH2 4.47Å; F489-W491 AromaticContact CD1-CZ2 3.93Å; F489-W491 HydrophobicContact CD1-CZ2 3.93Å; F489-W491 AromaticContact CD1-NE1 3.62Å; F489-W491 AromaticContact CE1-CD2 3.95Å; F489-W491 HydrophobicContact CE1-CD2 3.95Å; F489-W491 AromaticContact CE1-CE2 3.88Å; F489-W491 HydrophobicContact CE1-CE3 4.04Å; F489-W491 HydrophobicContact CE1-CH2 4.04Å; F489-W491 AromaticContact CE1-CZ2 3.95Å; F489-W491 HydrophobicContact CE1-CZ2 3.95Å; F489-W491 HydrophobicContact CE1-CZ3 4.07Å; F489-W491 PolarHBondContact O-N 3.19Å; F489-N559 PolarHBondContact O-ND2 3.09Å; F489-L875 HydrophobicContact CE2-CD2 3.99Å; F489-L875 HydrophobicContact CE2-CG 3.89Å; F489-L875 HydrophobicContact CZ-CD2 4.09Å; F489-L875 HydrophobicContact CZ-CG 4.3Å
490	A	97.9	Very high	91.8	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.008	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	101.4	178.9	0	0	0	0	0	110.3	D488 H560 Y835 K876 G877 Y878 F879	D488-A490 PolarHBondContact O-N 3.04Å; A490-H560 VanDerWaalsContact CB-CE1 3.45Å; A490-H560 WeakPolarHBondContact CB-CE1 3.18Å; A490-H560 WeakPolarHBondContact CB-ND1 3.19Å; A490-Y835 HydrophobicContact CB-CD1 4.41Å; A490-Y835 HydrophobicContact CB-CE1 3.89Å; A490-K876 PolarHBondContact N-O 3.41Å; A490-G877 CarbonylContact O-C 3.55Å; A490-G877 WeakPolarHBondContact O-CA 3.34Å; A490-Y878 PolarHBondContact O-N 3.05Å; A490-F879 HydrophobicContact CB-CE2 4.34Å
491	W	98.4	Very high	91.6	Very high	6 Å²	6	34.5 Å²	34.5	2%	0.023	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	115.2	169.5	-71.6	108.4	0	0	0	109.3	F485 F489 V558 N559 H560 I861 Y878 Y910 I913 I914 N917	F485-W491 AromaticContact CD2-CH2 3.78Å; F485-W491 HydrophobicContact CD2-CH2 3.78Å; F485-W491 AromaticContact CD2-CZ2 3.51Å; F485-W491 HydrophobicContact CD2-CZ2 3.51Å; F485-W491 AromaticContact CE2-CH2 3.68Å; F485-W491 HydrophobicContact CE2-CH2 3.68Å; F485-W491 AromaticContact CE2-CZ2 3.94Å; F485-W491 HydrophobicContact CE2-CZ2 3.94Å; F485-W491 HydrophobicContact CG-CZ2 4.34Å; F489-W491 AromaticContact CD1-CD1 3.97Å; F489-W491 AromaticContact CD1-CD2 3.79Å; F489-W491 HydrophobicContact CD1-CD2 3.79Å; F489-W491 AromaticContact CD1-CE2 3.53Å; F489-W491 HydrophobicContact CD1-CE3 4.36Å; F489-W491 HydrophobicContact CD1-CG 4.1Å; F489-W491 HydrophobicContact CD1-CH2 4.47Å; F489-W491 AromaticContact CD1-CZ2 3.93Å; F489-W491 HydrophobicContact CD1-CZ2 3.93Å; F489-W491 AromaticContact CD1-NE1 3.62Å; F489-W491 AromaticContact CE1-CD2 3.95Å; F489-W491 HydrophobicContact CE1-CD2 3.95Å; F489-W491 AromaticContact CE1-CE2 3.88Å; F489-W491 HydrophobicContact CE1-CE3 4.04Å; F489-W491 HydrophobicContact CE1-CH2 4.04Å; F489-W491 AromaticContact CE1-CZ2 3.95Å; F489-W491 HydrophobicContact CE1-CZ2 3.95Å; F489-W491 HydrophobicContact CE1-CZ3 4.07Å; F489-W491 PolarHBondContact O-N 3.19Å; W491-V558 VanDerWaalsContact O-CB 3.29Å; W491-V558 WeakPolarHBondContact O-CB 3.39Å; W491-N559 PolarHBondContact N-OD1 3.1Å; W491-N559 PolarHBondContact O-N 3.26Å; W491-N559 PolarHBondContact O-OD1 3.04Å; W491-H560 PolarHBondContact O-N 3.32Å; W491-H560 VanDerWaalsContact O-N 3.08Å; W491-I861 HydrophobicContact CH2-CG2 3.79Å; W491-I861 HydrophobicContact CZ3-CD1 4.36Å; W491-I861 HydrophobicContact CZ3-CG2 4.08Å; W491-Y878 HydrophobicContact CZ3-CD1 4.4Å; W491-Y910 AromaticContact CE3-CE2 3.9Å; W491-Y910 HydrophobicContact CE3-CE2 3.9Å; W491-Y910 AromaticContact CZ3-CE2 3.96Å; W491-Y910 HydrophobicContact CZ3-CE2 3.96Å; W491-I913 HydrophobicContact CH2-CG2 3.74Å; W491-I913 HydrophobicContact CZ2-CG2 4.35Å; W491-I913 HydrophobicContact CZ3-CG2 4.22Å; W491-I914 HydrophobicContact CB-CD1 4.22Å; W491-I914 HydrophobicContact CB-CG1 3.93Å; W491-I914 HydrophobicContact CB-CG2 3.91Å; W491-I914 HydrophobicContact CD2-CB 4.4Å; W491-I914 HydrophobicContact CD2-CG1 3.78Å; W491-I914 HydrophobicContact CD2-CG2 4.42Å; W491-I914 HydrophobicContact CE3-CG1 3.85Å; W491-I914 HydrophobicContact CG-CB 4.26Å; W491-I914 HydrophobicContact CG-CG1 3.84Å; W491-I914 HydrophobicContact CG-CG2 3.79Å; W491-N917 PolarHBondContact NE1-OD1 3.31Å
492	G	97.6	Very high	91.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	167	-173.4	0	0	0	0	0	115.1	H560 Y878 F879 A880 Y910	G492-H560 VanDerWaalsContact CA-O 3.26Å; G492-H560 WeakPolarHBondContact CA-O 3.48Å; G492-Y878 PolarHBondContact N-O 3.23Å; G492-F879 WeakPolarHBondContact O-CA 3.49Å; G492-A880 PolarHBondContact O-N 3.34Å; G492-Y910 WeakPolarHBondContact O-CE1 3.11Å; G492-Y910 PolarHBondContact O-OH 3.19Å
493	V	97.6	Very high	90.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.4	163.5	66.5	0	0	0	0	107.9	V558 F561 H562 A880 L883 L893	V493-V558 HydrophobicContact CB-CG1 4.28Å; V493-V558 HydrophobicContact CG1-CG1 4.35Å; V493-V558 HydrophobicContact CG1-CG2 4.1Å; V493-F561 HydrophobicContact CG1-CD2 3.65Å; V493-F561 HydrophobicContact CG1-CE2 4.02Å; V493-F561 WeakPolarHBondContact O-CD2 3.39Å; V493-H562 PolarHBondContact O-N 2.91Å; V493-A880 WeakPolarHBondContact CA-O 3.25Å; V493-A880 WeakPolarHBondContact CG2-O 3.38Å; V493-L883 HydrophobicContact CG1-CD1 3.99Å; V493-L883 HydrophobicContact CG2-CB 4.05Å; V493-L883 HydrophobicContact CG2-CD1 4.24Å; V493-L893 HydrophobicContact CG2-CD1 4Å
494	S	95.9	Very high	90.1	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.014	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	148.7	-177.1	-65.3	0	0	0	0	111.1	H562 M837 F879 A880 A882 L883	S494-H562 CarbonylContact C-O 3.58Å; S494-H562 WeakPolarHBondContact CA-O 3.42Å; S494-H562 WeakPolarHBondContact OG-CB 3.45Å; S494-H562 PolarHBondContact OG-ND1 2.93Å; S494-M837 PolarHBondContact OG-O 2.84Å; S494-F879 WeakPolarHBondContact OG-CB 3.28Å; S494-A880 PolarHBondContact N-O 3.16Å; S494-A882 CarbonylContact O-C 3.52Å; S494-A882 VanDerWaalsContact O-CA 3.28Å; S494-A882 WeakPolarHBondContact O-CA 3.49Å; S494-L883 PolarHBondContact O-N 2.88Å
495	A	91.9	Very high	89.6	Confident	7 Å²	7	36.6 Å²	36.6	6%	0.058	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	140.1	168	0	0	0	0	0	108.7	S497 F561 H562 F563 L883	A495-S497 VanDerWaalsContact C-N 3.28Å; A495-S497 PolarHBondContact O-N 2.97Å; A495-F561 HydrophobicContact CB-CE2 4.38Å; A495-F561 HydrophobicContact CB-CZ 4.08Å; A495-H562 PolarHBondContact N-O 3.28Å; A495-F563 WeakPolarHBondContact O-CA 3.38Å; A495-L883 HydrophobicContact CB-CB 4.4Å
496	N	84.7	Confident	88.9	Confident	40 Å²	40	40 Å²	40	21%	0.214	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	-40.6	178.7	-77.7	-21.6	0	0	0	111.6	S564 H607 Y881 D888	N496-S564 WeakPolarHBondContact O-CB 3.42Å; N496-S564 PolarHBondContact O-N 3.47Å; N496-S564 PolarHBondContact O-OG 3.37Å; N496-H607 PolarHBondContact OD1-NE2 3.05Å; N496-Y881 PolarHBondContact ND2-OH 3.36Å; N496-D888 PolarHBondContact N-OD2 3.43Å; N496-D888 PolarHBondContact ND2-OD1 3.36Å
497	S	84.1	Confident	88.3	Confident	50 Å²	50	44.8 Å²	44.8	35%	0.35	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	153.2	175.4	59.2	0	0	0	0	110.4	A495	A495-S497 VanDerWaalsContact C-N 3.28Å; A495-S497 PolarHBondContact O-N 2.97Å
498	I	87.8	Confident	87.7	Confident	7 Å²	7	45 Å²	45	4%	0.036	25%	0.253	C	S	.	.			trans	-86.7	159.3	172.9	63.5	177.3	0	0	0	110.9	V500 F561 F563 Y586 Y587 F590	I498-V500 HydrophobicContact CG1-CG2 3.96Å; I498-V500 PolarHBondContact O-N 3.03Å; I498-F561 HydrophobicContact CG2-CE1 3.89Å; I498-F561 HydrophobicContact CG2-CZ 4.25Å; I498-F563 HydrophobicContact CD1-CD2 4.26Å; I498-F563 HydrophobicContact CD1-CE2 4.22Å; I498-F563 HydrophobicContact CG1-CD2 4.45Å; I498-F563 HydrophobicContact CG2-CB 3.67Å; I498-F563 HydrophobicContact CG2-CD2 3.83Å; I498-F563 HydrophobicContact CG2-CG 3.76Å; I498-Y586 HydrophobicContact CD1-CD1 4.47Å; I498-Y586 HydrophobicContact CD1-CE1 3.88Å; I498-Y587 HydrophobicContact CD1-CD1 3.76Å; I498-Y587 HydrophobicContact CD1-CE1 3.57Å; I498-Y587 HydrophobicContact CG1-CE1 3.93Å; I498-F590 HydrophobicContact CD1-CD1 3.73Å; I498-F590 HydrophobicContact CD1-CD2 4.33Å; I498-F590 HydrophobicContact CD1-CE1 3.93Å; I498-F590 HydrophobicContact CD1-CG 3.95Å; I498-F590 HydrophobicContact CD1-CZ 4.34Å; I498-F590 HydrophobicContact CG2-CE1 3.83Å; I498-F590 HydrophobicContact CG2-CZ 3.94Å
499	Q	84.3	Confident	87.4	Confident	59 Å²	59	43.6 Å²	43.6	28%	0.276	25%	0.246	S	C	.	.			trans	-73.4	114.7	168.6	-178.7	176.3	-3.1	0	0	108.9	Q549 Y586	Q499-Q549 PolarHBondContact O-NE2 3.3Å; Q499-Y586 PolarHBondContact O-OH 2.96Å
500	V	85.8	Confident	86.6	Confident	52 Å²	52	46.9 Å²	46.9	32%	0.315	27%	0.268	S	S	.	.			trans	-99.4	120.4	178.1	176.9	0	0	0	0	109.1	I498 T502 L583 Y586 Y587	I498-V500 HydrophobicContact CG1-CG2 3.96Å; I498-V500 PolarHBondContact O-N 3.03Å; V500-T502 HydrophobicContact CG1-CG2 3.91Å; V500-L583 HydrophobicContact CB-CD1 4.49Å; V500-L583 HydrophobicContact CG1-CD1 3.41Å; V500-L583 VanDerWaalsContact CG1-CD1 3.41Å; V500-L583 HydrophobicContact CG2-CD1 4.3Å; V500-Y586 HydrophobicContact CG1-CD1 4.34Å; V500-Y586 HydrophobicContact CG1-CE1 4.5Å; V500-Y586 HydrophobicContact CG2-CD1 4.5Å; V500-Y586 HydrophobicContact CG2-CE1 4.3Å; V500-Y587 HydrophobicContact CG2-CE1 4.35Å
501	E	85.4	Confident	86.1	Confident	81 Å²	81	49.3 Å²	49.3	38%	0.379	28%	0.28	S	S	.	.			trans	-131.2	103.5	169.2	-172.9	170.6	-173.1	0	0	108.7	T503 T545 Y586	E501-T503 VanDerWaalsContact C-N 3.31Å; E501-T545 HydrophobicContact CB-CG2 3.83Å; E501-T545 WeakPolarHBondContact OE2-CG2 3.46Å; E501-Y586 VanDerWaalsContact O-CE2 3.23Å; E501-Y586 WeakPolarHBondContact O-CE2 3.49Å
502	T	82.1	Confident	85.5	Confident	53 Å²	53	51.6 Å²	51.6	33%	0.325	30%	0.295	S	S	.	.			trans	-84.6	-5.8	-174.3	50.5	0	0	0	0	113.6	V500 P504 T582 L583	V500-T502 HydrophobicContact CG1-CG2 3.91Å; T502-P504 WeakPolarHBondContact O-CD 3.48Å; T502-T582 HydrophobicContact CG2-CG2 4.18Å; T502-L583 HydrophobicContact CG2-CD1 4.29Å
503	T	82.4	Confident	85.1	Confident	87 Å²	87	55.7 Å²	55.7	53%	0.534	31%	0.311	S	S	.	.	S	Bend	trans	-75.9	121.4	178.3	-49.5	0	0	0	0	109.5	E501 T505	E501-T503 VanDerWaalsContact C-N 3.31Å; T503-T505 PolarHBondContact O-N 3.29Å
504	P	79.3	Confident	84.6	Confident	42 Å²	42	60.4 Å²	60.4	27%	0.273	34%	0.335	S	S	.	.			trans	-61.4	135.7	173.2	-22.8	34.9	0	0	0	110.9	T502 Q506 A508 D542	T502-P504 WeakPolarHBondContact O-CD 3.48Å; P504-Q506 VanDerWaalsContact C-N 3.34Å; P504-A508 WeakPolarHBondContact O-CB 3.36Å; P504-D542 HydrophobicContact CB-CB 4.26Å
505	T	81.8	Confident	84.3	Confident	78 Å²	78	68 Å²	68	48%	0.479	36%	0.364	S	S	.	.	S	Bend	trans	-84.6	-10.8	177.3	54.3	0	0	0	0	113.6	T503 D542 A544	T503-T505 PolarHBondContact O-N 3.29Å; T505-D542 PolarHBondContact N-O 2.88Å; T505-D542 PolarHBondContact OG1-O 3.24Å; T505-A544 HydrophobicContact CG2-CB 3.56Å
506	Q	80.5	Confident	83.9	Confident	73 Å²	73	69.8 Å²	69.8	34%	0.341	37%	0.373	S	S	.	.	S	Bend	trans	-139.6	151.7	177.3	51	175.7	22	0	0	109.5	P504 A508 D542	P504-Q506 VanDerWaalsContact C-N 3.34Å; Q506-A508 PolarHBondContact O-N 3.39Å; Q506-D542 HydrophobicContact CG-CB 4.28Å; Q506-D542 PolarHBondContact NE2-OD1 3.39Å
507	F	79.8	Confident	83.7	Confident	126 Å²	126	73.5 Å²	73.5	55%	0.553	39%	0.391	S	S	*	.	S	Bend	trans	59.2	28.5	-176.4	-48.3	-83.1	0	0	0	114.2	L534 R536	F507-L534 HydrophobicContact CB-CD1 4.27Å; F507-L534 HydrophobicContact CD1-CD1 4.23Å; F507-R536 VanDerWaalsContact CE2-NH1 3.32Å
508	A	78.1	Confident	83.5	Confident	61 Å²	61	77 Å²	77	50%	0.504	42%	0.416	S	S	.	.			trans	-93.4	-25.4	-179.8	0	0	0	0	0	113.6	P504 Q506 P510	P504-A508 WeakPolarHBondContact O-CB 3.36Å; Q506-A508 PolarHBondContact O-N 3.39Å; A508-P510 VanDerWaalsContact O-CD 3.3Å; A508-P510 WeakPolarHBondContact O-CD 3.4Å
509	D	82.8	Confident	82.7	Confident	88 Å²	88	82.9 Å²	82.9	47%	0.471	45%	0.447	S	S	.	.			trans	-89.7	112.4	-178.2	-172.7	2.5	0	0	0	110.8	N511 Y513	D509-N511 VanDerWaalsContact C-N 3.31Å; D509-N511 VanDerWaalsContact OD1-CB 3.24Å; D509-N511 WeakPolarHBondContact OD1-CB 3.45Å; D509-N511 VanDerWaalsContact OD1-CG 3.31Å; D509-N511 PolarHBondContact OD1-N 2.84Å; D509-N511 PolarHBondContact OD1-ND2 3.14Å; D509-Y513 WeakPolarHBondContact OD2-CE2 3.43Å; D509-Y513 PolarHBondContact OD2-OH 2.96Å
510	P	80.2	Confident	82.5	Confident	72 Å²	72	84.1 Å²	84.1	47%	0.468	46%	0.456	S	S	.	.			trans	-84.7	-4.4	177.9	36.2	-36.1	0	0	0	112.8	A508 S530 A531	A508-P510 VanDerWaalsContact O-CD 3.3Å; A508-P510 WeakPolarHBondContact O-CD 3.4Å; P510-S530 WeakPolarHBondContact O-CA 3.19Å; P510-A531 PolarHBondContact O-N 3.43Å
511	N	87.4	Confident	82.4	Confident	51 Å²	51	83.4 Å²	83.4	27%	0.273	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	150	-176.3	-59.8	-64.3	0	0	0	111.3	D509 Y513 K525	D509-N511 VanDerWaalsContact C-N 3.31Å; D509-N511 VanDerWaalsContact OD1-CB 3.24Å; D509-N511 WeakPolarHBondContact OD1-CB 3.45Å; D509-N511 VanDerWaalsContact OD1-CG 3.31Å; D509-N511 PolarHBondContact OD1-N 2.84Å; D509-N511 PolarHBondContact OD1-ND2 3.14Å; N511-Y513 HydrophobicContact CB-CD2 4.48Å; N511-Y513 HydrophobicContact CB-CE2 3.62Å; N511-K525 HydrophobicContact CB-CG 4.4Å; N511-K525 VanDerWaalsContact OD1-CE 3.27Å; N511-K525 WeakPolarHBondContact OD1-CE 3.29Å
512	V	85.9	Confident	82.5	Confident	55 Å²	55	85.2 Å²	85.2	33%	0.333	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	134.5	174.9	-175	0	0	0	0	109.2	L526 A531	V512-L526 HydrophobicContact CG1-CD1 4.31Å; V512-L526 PolarHBondContact O-N 3.04Å; V512-A531 HydrophobicContact CG2-CB 4.16Å
513	Y	89.5	Confident	82.8	Confident	86 Å²	86	87.9 Å²	87.9	34%	0.337	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	140.8	-178.9	-61.8	-97.2	0	0	0	110.5	D509 N511 L523 I524 K525	D509-Y513 WeakPolarHBondContact OD2-CE2 3.43Å; D509-Y513 PolarHBondContact OD2-OH 2.96Å; N511-Y513 HydrophobicContact CB-CD2 4.48Å; N511-Y513 HydrophobicContact CB-CE2 3.62Å; Y513-L523 HydrophobicContact CD1-CB 3.92Å; Y513-L523 HydrophobicContact CG-CB 4.27Å; Y513-I524 CarbonylContact C-O 3.48Å; Y513-I524 WeakPolarHBondContact CA-O 3.44Å; Y513-K525 HydrophobicContact CD1-CB 3.92Å; Y513-K525 HydrophobicContact CD1-CG 4.49Å; Y513-K525 HydrophobicContact CE1-CB 3.66Å; Y513-K525 HydrophobicContact CE1-CG 4.01Å
514	L	86.8	Confident	83	Confident	98 Å²	98	87.9 Å²	87.9	51%	0.513	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	116.2	164.5	-168.5	113.8	0	0	0	108.3	I524 L526	L514-I524 HydrophobicContact CB-CB 4.45Å; L514-I524 PolarHBondContact N-O 3.17Å; L514-I524 PolarHBondContact O-N 3.02Å; L514-L526 HydrophobicContact CB-CD2 4.44Å
515	W	88.9	Confident	83.5	Confident	162 Å²	162	89.8 Å²	89.8	61%	0.614	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	115.3	178.2	-175.8	26	0	0	0	110.7	I517 G521 L523	W515-I517 VanDerWaalsContact C-N 3.35Å; W515-I517 HydrophobicContact CB-CG1 4.46Å; W515-I517 HydrophobicContact CD2-CD1 4.01Å; W515-I517 HydrophobicContact CD2-CG1 3.46Å; W515-I517 VanDerWaalsContact CD2-CG1 3.46Å; W515-I517 HydrophobicContact CE3-CD1 3.55Å; W515-I517 HydrophobicContact CE3-CG1 3.56Å; W515-I517 HydrophobicContact CG-CG1 3.88Å; W515-I517 HydrophobicContact CH2-CD1 4.49Å; W515-I517 HydrophobicContact CH2-CG1 4.28Å; W515-I517 HydrophobicContact CZ2-CG1 4.21Å; W515-I517 HydrophobicContact CZ3-CD1 3.82Å; W515-I517 HydrophobicContact CZ3-CG1 3.97Å; W515-I517 PolarHBondContact O-N 2.87Å; W515-G521 PolarHBondContact NE1-O 3.28Å; W515-L523 HydrophobicContact CB-CD2 3.72Å; W515-L523 HydrophobicContact CG-CD2 3.85Å
516	N	84.6	Confident	83.7	Confident	45 Å²	45	89 Å²	89	24%	0.241	47%	0.472	C	S	.	.			trans	-83.4	77.2	-179.3	-167.4	-8.1	0	0	0	111.7	S518 N519 G521 E522	N516-S518 VanDerWaalsContact C-N 3.26Å; N516-S518 PolarHBondContact O-N 3.41Å; N516-N519 WeakPolarHBondContact OD1-CB 3.34Å; N516-N519 PolarHBondContact OD1-N 2.99Å; N516-G521 VanDerWaalsContact O-CA 3.26Å; N516-G521 WeakPolarHBondContact O-CA 3.5Å; N516-G521 PolarHBondContact O-N 3.11Å; N516-G521 VanDerWaalsContact O-N 3.09Å; N516-E522 PolarHBondContact N-O 3.31Å
517	I	81.3	Confident	83.9	Confident	118 Å²	118	92.7 Å²	92.7	61%	0.605	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-28.5	-175.8	-60.3	169.5	0	0	0	112.3	W515	W515-I517 VanDerWaalsContact C-N 3.35Å; W515-I517 HydrophobicContact CB-CG1 4.46Å; W515-I517 HydrophobicContact CD2-CD1 4.01Å; W515-I517 HydrophobicContact CD2-CG1 3.46Å; W515-I517 VanDerWaalsContact CD2-CG1 3.46Å; W515-I517 HydrophobicContact CE3-CD1 3.55Å; W515-I517 HydrophobicContact CE3-CG1 3.56Å; W515-I517 HydrophobicContact CG-CG1 3.88Å; W515-I517 HydrophobicContact CH2-CD1 4.49Å; W515-I517 HydrophobicContact CH2-CG1 4.28Å; W515-I517 HydrophobicContact CZ2-CG1 4.21Å; W515-I517 HydrophobicContact CZ3-CD1 3.82Å; W515-I517 HydrophobicContact CZ3-CG1 3.97Å; W515-I517 PolarHBondContact O-N 2.87Å
518	S	79.3	Confident	83.8	Confident	123 Å²	123	90.6 Å²	90.6	86%	0.86	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-5.6	-169.1	-46.5	0	0	0	0	114.9	N516	N516-S518 VanDerWaalsContact C-N 3.26Å; N516-S518 PolarHBondContact O-N 3.41Å
519	N	69.8	Low	83.7	Confident	131 Å²	131	92.6 Å²	92.6	70%	0.701	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.6	-101	-176	-167.3	13.7	0	0	0	111.8	N516	N516-N519 WeakPolarHBondContact OD1-CB 3.34Å; N516-N519 PolarHBondContact OD1-N 2.99Å
520	N	80.5	Confident	83.4	Confident	84 Å²	84	92.3 Å²	92.3	45%	0.449	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-0.6	-173.4	62.7	-5.5	0	0	0	114.5	E522	N520-E522 VanDerWaalsContact C-N 3.32Å; N520-E522 WeakPolarHBondContact ND2-CG 3.44Å; N520-E522 PolarHBondContact ND2-OE1 3.35Å; N520-E522 PolarHBondContact ND2-OE2 3.43Å; N520-E522 PolarHBondContact O-N 2.77Å; N520-E522 PolarHBondContact OD1-N 2.74Å
521	G	83.4	Confident	83	Confident	38 Å²	38	91 Å²	91	39%	0.392	51%	0.505	S	S	.	.			trans	78	8.2	179.4	0	0	0	0	0	115.3	W515 N516	W515-G521 PolarHBondContact NE1-O 3.28Å; N516-G521 VanDerWaalsContact O-CA 3.26Å; N516-G521 WeakPolarHBondContact O-CA 3.5Å; N516-G521 PolarHBondContact O-N 3.11Å; N516-G521 VanDerWaalsContact O-N 3.09Å
522	E	88.1	Confident	82.2	Confident	118 Å²	118	93.8 Å²	93.8	55%	0.551	53%	0.525	S	S	*	.			trans	-70.2	150.5	-177.5	-75.4	177.9	169.5	0	0	113.5	N516 N520	N516-E522 PolarHBondContact N-O 3.31Å; N520-E522 VanDerWaalsContact C-N 3.32Å; N520-E522 WeakPolarHBondContact ND2-CG 3.44Å; N520-E522 PolarHBondContact ND2-OE1 3.35Å; N520-E522 PolarHBondContact ND2-OE2 3.43Å; N520-E522 PolarHBondContact O-N 2.77Å; N520-E522 PolarHBondContact OD1-N 2.74Å
523	L	89.2	Confident	81.2	Confident	110 Å²	110	96.2 Å²	96.2	58%	0.576	54%	0.542	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	112.7	172.2	-66.9	175	0	0	0	109.4	Y513 W515	Y513-L523 HydrophobicContact CD1-CB 3.92Å; Y513-L523 HydrophobicContact CG-CB 4.27Å; W515-L523 HydrophobicContact CB-CD2 3.72Å; W515-L523 HydrophobicContact CG-CD2 3.85Å
524	I	86.9	Confident	79.9	Confident	86 Å²	86	97.8 Å²	97.8	44%	0.441	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.5	114.9	178.2	-56.2	172.2	0	0	0	108.6	Y513 L514 L526	Y513-I524 CarbonylContact C-O 3.48Å; Y513-I524 WeakPolarHBondContact CA-O 3.44Å; L514-I524 HydrophobicContact CB-CB 4.45Å; L514-I524 PolarHBondContact N-O 3.17Å; L514-I524 PolarHBondContact O-N 3.02Å; I524-L526 PolarHBondContact O-N 3.21Å
525	K	88.4	Confident	78.8	Confident	83 Å²	83	102.5 Å²	102.5	36%	0.361	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-66.1	130.8	177	-172	-172.9	172.3	-158	0	110.4	N511 Y513 E527	N511-K525 HydrophobicContact CB-CG 4.4Å; N511-K525 VanDerWaalsContact OD1-CE 3.27Å; N511-K525 WeakPolarHBondContact OD1-CE 3.29Å; Y513-K525 HydrophobicContact CD1-CB 3.92Å; Y513-K525 HydrophobicContact CD1-CG 4.49Å; Y513-K525 HydrophobicContact CE1-CB 3.66Å; Y513-K525 HydrophobicContact CE1-CG 4.01Å; K525-E527 IonicContact NZ-OE1 3.9Å; K525-E527 PolarHBondContact NZ-OE1 3.08Å; K525-E527 IonicContact NZ-OE2 3.86Å
526	L	87.3	Confident	78	Confident	61 Å²	61	99 Å²	99	32%	0.319	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.5	109.2	174.4	-62.3	177.4	0	0	0	110.1	V512 L514 I524 G528 L529	V512-L526 HydrophobicContact CG1-CD1 4.31Å; V512-L526 PolarHBondContact O-N 3.04Å; L514-L526 HydrophobicContact CB-CD2 4.44Å; I524-L526 PolarHBondContact O-N 3.21Å; L526-G528 PolarHBondContact O-N 3.16Å; L526-L529 HydrophobicContact CB-CB 4.2Å; L526-L529 HydrophobicContact CB-CD1 4.07Å; L526-L529 HydrophobicContact CD1-CD1 4.13Å; L526-L529 PolarHBondContact O-N 2.86Å
527	E	83.1	Confident	77.2	Confident	150 Å²	150	100.4 Å²	100.4	70%	0.701	58%	0.579	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-66.4	131.6	178.8	-70.3	-62.2	153.9	0	0	111.4	K525	K525-E527 IonicContact NZ-OE1 3.9Å; K525-E527 PolarHBondContact NZ-OE1 3.08Å; K525-E527 IonicContact NZ-OE2 3.86Å
528	G	79.1	Confident	76.8	Confident	82 Å²	82	99.5 Å²	99.5	85%	0.845	58%	0.58	S	S	*	*	E	Extended strand (participates in β ladder)	trans	84.5	-1.6	-179.4	0	0	0	0	0	116.2	L526	L526-G528 PolarHBondContact O-N 3.16Å
529	L	75.4	Confident	76.9	Confident	103 Å²	103	98.4 Å²	98.4	54%	0.539	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.5	120.3	176.2	-83.3	152.6	0	0	0	110.8	L526	L526-L529 HydrophobicContact CB-CB 4.2Å; L526-L529 HydrophobicContact CB-CD1 4.07Å; L526-L529 HydrophobicContact CD1-CD1 4.13Å; L526-L529 PolarHBondContact O-N 2.86Å
530	S	75.8	Confident	77.6	Confident	83 Å²	83	93.1 Å²	93.1	58%	0.58	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	141.7	171.1	-60	0	0	0	0	109.6	P510	P510-S530 WeakPolarHBondContact O-CA 3.19Å
531	A	72.8	Confident	77.8	Confident	44 Å²	44	91.2 Å²	91.2	36%	0.364	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-61.1	143.7	171.4	0	0	0	0	0	109.2	P510 V512	P510-A531 PolarHBondContact O-N 3.43Å; V512-A531 HydrophobicContact CG2-CB 4.16Å
532	P	70.4	Confident	77.7	Confident	109 Å²	109	89.6 Å²	89.6	71%	0.708	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-55.3	146.4	172.9	2.8	-3	0	0	0	109.9	L534	P532-L534 PolarHBondContact O-N 2.9Å
533	P	64.7	Low	77.6	Confident	106 Å²	106	84.4 Å²	84.4	69%	0.688	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-53.3	122.1	178.4	-9.9	14.6	0	0	0	109.3	H535	P533-H535 PolarHBondContact O-N 3.44Å
534	L	62.8	Low	77.3	Confident	119 Å²	119	81 Å²	81	62%	0.623	48%	0.475	S	S	*	.			trans	-60.2	112.4	176	-86.4	150.2	0	0	0	108.4	F507 P532 R536	F507-L534 HydrophobicContact CB-CD1 4.27Å; F507-L534 HydrophobicContact CD1-CD1 4.23Å; P532-L534 PolarHBondContact O-N 2.9Å; L534-R536 HydrophobicContact CB-CB 4.41Å; L534-R536 PolarHBondContact O-N 3.28Å
535	H	63.4	Low	77.3	Confident	198 Å²	198	77.4 Å²	77.4	92%	0.917	46%	0.457	S	S	*	.			trans	-73.8	49.7	169.2	-68.8	-58.6	0	0	0	111.1	P533	P533-H535 PolarHBondContact O-N 3.44Å
536	R	71.9	Confident	77.4	Confident	88 Å²	88	73.5 Å²	73.5	33%	0.332	44%	0.44	S	S	.	.			trans	-107.8	131.7	177.7	177.4	176.3	174.2	-110.6	0.3	108.3	F507 L534 H539 D542	F507-R536 VanDerWaalsContact CE2-NH1 3.32Å; L534-R536 HydrophobicContact CB-CB 4.41Å; L534-R536 PolarHBondContact O-N 3.28Å; R536-H539 PolarHBondContact NH2-CD2 3.5Å; R536-H539 VanDerWaalsContact NH2-CD2 3.3Å; R536-D542 IonicContact CZ-OD1 2.67Å; R536-D542 IonicContact CZ-OD2 3.54Å; R536-D542 IonicContact NH1-OD1 3.76Å; R536-D542 PolarHBondContact NH1-OD1 3.47Å; R536-D542 IonicContact NH1-OD2 3.01Å; R536-D542 PolarHBondContact NH1-OD2 3.14Å; R536-D542 IonicContact NH2-OD1 3.93Å; R536-D542 PolarHBondContact NH2-OD1 2.83Å; R536-D542 VanDerWaalsContact NH2-OD1 3.08Å; R536-D542 IonicContact NH2-OD2 3.08Å
537	A	68.9	Low	77.4	Confident	74 Å²	74	76.3 Å²	76.3	61%	0.612	45%	0.446	S	S	*	.			trans	-65.5	136.3	168.7	0	0	0	0	0	109.5	H539	A537-H539 PolarHBondContact O-CD2 3.32Å; A537-H539 PolarHBondContact O-N 3.4Å
538	T	71.3	Confident	77.7	Confident	100 Å²	100	73.9 Å²	73.9	61%	0.613	44%	0.435	S	S	*	.			trans	-61.8	130.6	174.2	39.4	0	0	0	0	110.3
539	H	82.8	Confident	78.3	Confident	100 Å²	100	70.5 Å²	70.5	46%	0.463	40%	0.397	S	S	.	.			trans	-108	153.8	179.6	-72.4	-88.4	0	0	0	110.7	R536 A537 A541 D542	R536-H539 PolarHBondContact NH2-CD2 3.5Å; R536-H539 VanDerWaalsContact NH2-CD2 3.3Å; A537-H539 PolarHBondContact O-CD2 3.32Å; A537-H539 PolarHBondContact O-N 3.4Å; H539-A541 PolarHBondContact O-N 3.41Å; H539-A541 VanDerWaalsContact O-N 3.11Å; H539-D542 PolarHBondContact N-OD2 2.89Å; H539-D542 WeakPolarHBondContact O-CB 3.48Å; H539-D542 VanDerWaalsContact O-CG 3.24Å; H539-D542 PolarHBondContact O-N 3.21Å
540	C	84.7	Confident	79.1	Confident	19 Å²	19	66.1 Å²	66.1	13%	0.128	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-61.5	-25.5	-178.7	-53.1	0	0	0	0	114	D542 Y543 C589 Q593	C540-D542 PolarHBondContact O-N 3.03Å; C540-Y543 PolarHBondContact O-N 2.77Å; C540-C589 WeakPolarHBondContact CA-SG 3.47Å; C540-C589 HydrophobicContact CB-CB 3.55Å; C540-C589 WeakPolarHBondContact CB-SG 3.23Å; C540-C589 WeakPolarHBondContact SG-CA 3.31Å; C540-C589 WeakPolarHBondContact SG-CB 3.48Å; C540-C589 CovalentContact SG-SG 2.05Å; C540-C589 PolarHBondContact SG-SG 3.33Å; C540-Q593 HydrophobicContact CB-CG 4.25Å
541	A	82.7	Confident	79.9	Confident	44 Å²	44	65.1 Å²	65.1	36%	0.364	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-66.2	-19.1	174.8	0	0	0	0	0	113.4	H539 Y543 R547	H539-A541 PolarHBondContact O-N 3.41Å; H539-A541 VanDerWaalsContact O-N 3.11Å; A541-Y543 PolarHBondContact O-N 3.32Å; A541-R547 PolarHBondContact O-NH2 3.01Å
542	D	83.3	Confident	80.8	Confident	4 Å²	4	64.2 Å²	64.2	2%	0.021	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-68.3	-19.6	178.4	-55.8	-24.6	0	0	0	111.2	P504 T505 Q506 R536 H539 C540	P504-D542 HydrophobicContact CB-CB 4.26Å; T505-D542 PolarHBondContact N-O 2.88Å; T505-D542 PolarHBondContact OG1-O 3.24Å; Q506-D542 HydrophobicContact CG-CB 4.28Å; Q506-D542 PolarHBondContact NE2-OD1 3.39Å; R536-D542 IonicContact CZ-OD1 2.67Å; R536-D542 IonicContact CZ-OD2 3.54Å; R536-D542 IonicContact NH1-OD1 3.76Å; R536-D542 PolarHBondContact NH1-OD1 3.47Å; R536-D542 IonicContact NH1-OD2 3.01Å; R536-D542 PolarHBondContact NH1-OD2 3.14Å; R536-D542 IonicContact NH2-OD1 3.93Å; R536-D542 PolarHBondContact NH2-OD1 2.83Å; R536-D542 VanDerWaalsContact NH2-OD1 3.08Å; R536-D542 IonicContact NH2-OD2 3.08Å; H539-D542 PolarHBondContact N-OD2 2.89Å; H539-D542 WeakPolarHBondContact O-CB 3.48Å; H539-D542 VanDerWaalsContact O-CG 3.24Å; H539-D542 PolarHBondContact O-N 3.21Å; C540-D542 PolarHBondContact O-N 3.03Å
543	Y	85.5	Confident	81.9	Confident	9 Å²	9	59 Å²	59	4%	0.035	32%	0.317	C	S	.	.			trans	-98.9	100	176.2	-52.6	-69.8	0	0	0	111.5	C540 A541 T545 I546 Y586 C589	C540-Y543 PolarHBondContact O-N 2.77Å; A541-Y543 PolarHBondContact O-N 3.32Å; Y543-T545 VanDerWaalsContact C-N 3.32Å; Y543-T545 PolarHBondContact O-N 3.41Å; Y543-I546 HydrophobicContact CD2-CD1 3.76Å; Y543-I546 HydrophobicContact CG-CD1 3.98Å; Y543-I546 PolarHBondContact O-N 3.01Å; Y543-Y586 AromaticContact CD1-CD2 3.8Å; Y543-Y586 HydrophobicContact CD1-CD2 3.8Å; Y543-Y586 HydrophobicContact CD1-CE2 4.12Å; Y543-Y586 HydrophobicContact CD2-CD2 4.28Å; Y543-Y586 HydrophobicContact CE1-CD2 4.09Å; Y543-Y586 AromaticContact CG-CD2 3.9Å; Y543-Y586 HydrophobicContact CG-CD2 3.9Å; Y543-Y586 HydrophobicContact CG-CE2 4.09Å; Y543-C589 HydrophobicContact CD2-CB 4.47Å
544	A	83.2	Confident	83.3	Confident	38 Å²	38	60.3 Å²	60.3	31%	0.314	31%	0.309	S	S	.	.	H	α-helix	trans	-62.6	-37	179.3	0	0	0	0	0	113	T505 I546 R547 Q548	T505-A544 HydrophobicContact CG2-CB 3.56Å; A544-I546 VanDerWaalsContact C-N 3.26Å; A544-I546 PolarHBondContact O-N 3.47Å; A544-R547 PolarHBondContact O-N 3.35Å; A544-R547 VanDerWaalsContact O-N 3.13Å; A544-Q548 PolarHBondContact O-N 3.4Å
545	T	86.6	Confident	84.7	Confident	12 Å²	12	59.1 Å²	59.1	7%	0.074	30%	0.3	C	S	.	.	H	α-helix	trans	-62	-29.3	-179.7	53.5	0	0	0	0	114	E501 Y543 Q549 Y586	E501-T545 HydrophobicContact CB-CG2 3.83Å; E501-T545 WeakPolarHBondContact OE2-CG2 3.46Å; Y543-T545 VanDerWaalsContact C-N 3.32Å; Y543-T545 PolarHBondContact O-N 3.41Å; T545-Q549 WeakPolarHBondContact O-CB 3.48Å; T545-Q549 WeakPolarHBondContact O-CG 3.47Å; T545-Q549 PolarHBondContact O-N 2.91Å; T545-Q549 VanDerWaalsContact O-N 3.09Å; T545-Q549 PolarHBondContact O-NE2 3.05Å; T545-Y586 PolarHBondContact OG1-OH 3.42Å; T545-Y586 VanDerWaalsContact OG1-OH 3.07Å
546	I	90.8	Very high	86.2	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65.9	-46.2	175.9	-67.4	-177	0	0	0	109.9	Y543 A544 Q549 V550 Y586 C589 F590 Q593	Y543-I546 HydrophobicContact CD2-CD1 3.76Å; Y543-I546 HydrophobicContact CG-CD1 3.98Å; Y543-I546 PolarHBondContact O-N 3.01Å; A544-I546 VanDerWaalsContact C-N 3.26Å; A544-I546 PolarHBondContact O-N 3.47Å; I546-Q549 PolarHBondContact O-N 2.91Å; I546-V550 HydrophobicContact CG2-CG2 4.21Å; I546-V550 WeakPolarHBondContact O-CB 3.17Å; I546-V550 WeakPolarHBondContact O-CG2 3.4Å; I546-V550 PolarHBondContact O-N 2.85Å; I546-Y586 HydrophobicContact CD1-CD2 3.9Å; I546-Y586 HydrophobicContact CD1-CE1 4.33Å; I546-Y586 HydrophobicContact CD1-CE2 3.73Å; I546-Y586 HydrophobicContact CD1-CG 4.29Å; I546-Y586 HydrophobicContact CG1-CD2 4.25Å; I546-Y586 HydrophobicContact CG1-CE1 4.13Å; I546-Y586 HydrophobicContact CG1-CE2 3.55Å; I546-Y586 VanDerWaalsContact CG1-CZ 3.46Å; I546-Y586 WeakPolarHBondContact CG1-OH 3.45Å; I546-C589 HydrophobicContact CD1-CB 3.8Å; I546-F590 HydrophobicContact CB-CD2 4.39Å; I546-F590 HydrophobicContact CD1-CB 4.25Å; I546-F590 HydrophobicContact CG1-CD2 4.17Å; I546-F590 HydrophobicContact CG2-CD2 3.96Å; I546-Q593 HydrophobicContact CG2-CB 3.9Å; I546-Q593 HydrophobicContact CG2-CG 3.67Å
547	R	87.1	Confident	87.2	Confident	120 Å²	120	47.2 Å²	47.2	45%	0.453	26%	0.258	S	S	.	.	H	α-helix	trans	-61.2	-48.5	-179.1	-72.8	-175	-78.2	176.8	-5	111.1	A541 A544 Q549 V550 D551	A541-R547 PolarHBondContact O-NH2 3.01Å; A544-R547 PolarHBondContact O-N 3.35Å; A544-R547 VanDerWaalsContact O-N 3.13Å; R547-Q549 PolarHBondContact O-N 3.28Å; R547-V550 PolarHBondContact O-N 3.07Å; R547-D551 WeakPolarHBondContact O-CB 3.33Å; R547-D551 PolarHBondContact O-N 2.84Å
548	Q	88.1	Confident	88.6	Confident	100 Å²	100	44.1 Å²	44.1	47%	0.467	23%	0.231	S	C	.	.	H	α-helix	trans	-57.6	-51.7	178	-178	-176.4	-12.1	0	0	112	A544 V550 D551 E552	A544-Q548 PolarHBondContact O-N 3.4Å; Q548-V550 VanDerWaalsContact C-N 3.35Å; Q548-V550 PolarHBondContact O-N 2.78Å; Q548-D551 PolarHBondContact O-N 3.13Å; Q548-E552 WeakPolarHBondContact CG-OE1 3.29Å; Q548-E552 PolarHBondContact NE2-OE1 3.07Å; Q548-E552 WeakPolarHBondContact O-CG 3.44Å; Q548-E552 PolarHBondContact O-N 2.97Å
549	Q	91.5	Very high	89.8	Confident	11 Å²	11	42 Å²	42	5%	0.051	22%	0.216	C	C	.	.	H	α-helix	trans	-62.4	-40.8	-179.3	-75.1	175	91.5	0	0	112.1	Q499 T545 I546 R547 D551 E552 I553 Y586 F590	Q499-Q549 PolarHBondContact O-NE2 3.3Å; T545-Q549 WeakPolarHBondContact O-CB 3.48Å; T545-Q549 WeakPolarHBondContact O-CG 3.47Å; T545-Q549 PolarHBondContact O-N 2.91Å; T545-Q549 VanDerWaalsContact O-N 3.09Å; T545-Q549 PolarHBondContact O-NE2 3.05Å; I546-Q549 PolarHBondContact O-N 2.91Å; R547-Q549 PolarHBondContact O-N 3.28Å; Q549-D551 VanDerWaalsContact C-N 3.34Å; Q549-E552 PolarHBondContact O-N 3.22Å; Q549-I553 WeakPolarHBondContact O-CB 3.39Å; Q549-I553 VanDerWaalsContact O-CD1 3.31Å; Q549-I553 WeakPolarHBondContact O-CD1 3.23Å; Q549-I553 WeakPolarHBondContact O-CG1 3.24Å; Q549-I553 PolarHBondContact O-N 3.09Å; Q549-Y586 PolarHBondContact NE2-OH 3.5Å; Q549-F590 HydrophobicContact CB-CE2 3.98Å
550	V	93.7	Very high	90.5	Very high	10 Å²	10	38.3 Å²	38.3	6%	0.061	20%	0.199	C	C	.	.	H	α-helix	trans	-65.4	-38.6	177.2	171.8	0	0	0	0	111.3	I546 R547 Q548 I553 R554 F590 Q593 L594 A597	I546-V550 HydrophobicContact CG2-CG2 4.21Å; I546-V550 WeakPolarHBondContact O-CB 3.17Å; I546-V550 WeakPolarHBondContact O-CG2 3.4Å; I546-V550 PolarHBondContact O-N 2.85Å; R547-V550 PolarHBondContact O-N 3.07Å; Q548-V550 VanDerWaalsContact C-N 3.35Å; Q548-V550 PolarHBondContact O-N 2.78Å; V550-I553 PolarHBondContact O-N 3Å; V550-R554 WeakPolarHBondContact O-CB 3.41Å; V550-R554 PolarHBondContact O-N 3.19Å; V550-F590 HydrophobicContact CG2-CD2 4.4Å; V550-F590 HydrophobicContact CG2-CE2 4.11Å; V550-Q593 HydrophobicContact CG2-CB 3.94Å; V550-L594 HydrophobicContact CG2-CD2 4Å; V550-L594 HydrophobicContact CG2-CG 4.26Å; V550-A597 HydrophobicContact CG1-CB 3.63Å
551	D	91.4	Very high	91.1	Very high	62 Å²	62	37.5 Å²	37.5	33%	0.332	19%	0.194	S	C	.	.	H	α-helix	trans	-65.9	-42.8	175.2	-79.7	-35.2	0	0	0	112	R547 Q548 Q549 R554 Q555	R547-D551 WeakPolarHBondContact O-CB 3.33Å; R547-D551 PolarHBondContact O-N 2.84Å; Q548-D551 PolarHBondContact O-N 3.13Å; Q549-D551 VanDerWaalsContact C-N 3.34Å; D551-R554 PolarHBondContact O-N 3.16Å; D551-R554 IonicContact OD1-CZ 3.3Å; D551-R554 VanDerWaalsContact OD1-CZ 3.3Å; D551-R554 IonicContact OD1-NH1 3.68Å; D551-R554 IonicContact OD1-NH2 2.72Å; D551-R554 PolarHBondContact OD1-NH2 3.18Å; D551-Q555 VanDerWaalsContact O-CG 3.28Å; D551-Q555 WeakPolarHBondContact O-CG 3.38Å; D551-Q555 PolarHBondContact O-N 3.12Å
552	E	91.4	Very high	91.9	Very high	25 Å²	25	35.7 Å²	35.7	12%	0.117	18%	0.178	C	C	.	.	H	α-helix	trans	-59.5	-46.5	173.8	-72.9	171.8	-168	0	0	111.4	Q548 Q549 R554 Q555 V556 Y894	Q548-E552 WeakPolarHBondContact CG-OE1 3.29Å; Q548-E552 PolarHBondContact NE2-OE1 3.07Å; Q548-E552 WeakPolarHBondContact O-CG 3.44Å; Q548-E552 PolarHBondContact O-N 2.97Å; Q549-E552 PolarHBondContact O-N 3.22Å; E552-R554 PolarHBondContact O-N 3.12Å; E552-Q555 WeakPolarHBondContact O-CB 3.39Å; E552-Q555 PolarHBondContact O-N 3Å; E552-V556 PolarHBondContact O-N 3.19Å; E552-Y894 HydrophobicContact CB-CE2 4.26Å; E552-Y894 PolarHBondContact O-OH 3.31Å; E552-Y894 VanDerWaalsContact O-OH 3.13Å
553	I	95.2	Very high	92.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.6	-46.5	177.2	-67.7	160.3	0	0	0	110.8	Q549 V550 Q555 V556 V558 F561 F590 L594 V599 L883	Q549-I553 WeakPolarHBondContact O-CB 3.39Å; Q549-I553 VanDerWaalsContact O-CD1 3.31Å; Q549-I553 WeakPolarHBondContact O-CD1 3.23Å; Q549-I553 WeakPolarHBondContact O-CG1 3.24Å; Q549-I553 PolarHBondContact O-N 3.09Å; V550-I553 PolarHBondContact O-N 3Å; I553-Q555 VanDerWaalsContact C-N 3.25Å; I553-Q555 PolarHBondContact O-N 3.29Å; I553-V556 WeakPolarHBondContact O-CB 3.36Å; I553-V556 PolarHBondContact O-N 3.46Å; I553-V558 HydrophobicContact CG2-CG2 3.85Å; I553-F561 HydrophobicContact CD1-CD1 3.65Å; I553-F561 HydrophobicContact CD1-CD2 3.73Å; I553-F561 HydrophobicContact CD1-CE1 3.61Å; I553-F561 HydrophobicContact CD1-CE2 3.72Å; I553-F561 HydrophobicContact CD1-CG 3.69Å; I553-F561 HydrophobicContact CD1-CZ 3.65Å; I553-F561 HydrophobicContact CG1-CD2 3.82Å; I553-F561 HydrophobicContact CG1-CE2 3.85Å; I553-F561 HydrophobicContact CG1-CG 4.22Å; I553-F561 HydrophobicContact CG1-CZ 4.24Å; I553-F561 HydrophobicContact CG2-CB 4.01Å; I553-F561 HydrophobicContact CG2-CD2 4.03Å; I553-F561 HydrophobicContact CG2-CG 4.12Å; I553-F590 HydrophobicContact CD1-CZ 4.02Å; I553-L594 HydrophobicContact CD1-CD2 3.88Å; I553-L594 HydrophobicContact CG2-CD2 4.31Å; I553-V599 HydrophobicContact CG2-CG1 4.05Å; I553-V599 HydrophobicContact CG2-CG2 4.35Å; I553-L883 HydrophobicContact CD1-CD2 4.42Å; I553-L883 HydrophobicContact CG1-CD1 4.34Å; I553-L883 HydrophobicContact CG1-CD2 3.81Å
554	R	93.3	Very high	92.9	Very high	134 Å²	134	35.4 Å²	35.4	51%	0.506	18%	0.177	S	C	.	.	H	α-helix	trans	-61.1	-37.6	178.3	-172.9	-176.7	66.4	-159.4	-11.4	111.3	V550 D551 E552 V556 G557	V550-R554 WeakPolarHBondContact O-CB 3.41Å; V550-R554 PolarHBondContact O-N 3.19Å; D551-R554 PolarHBondContact O-N 3.16Å; D551-R554 IonicContact OD1-CZ 3.3Å; D551-R554 VanDerWaalsContact OD1-CZ 3.3Å; D551-R554 IonicContact OD1-NH1 3.68Å; D551-R554 IonicContact OD1-NH2 2.72Å; D551-R554 PolarHBondContact OD1-NH2 3.18Å; E552-R554 PolarHBondContact O-N 3.12Å; R554-V556 PolarHBondContact O-N 2.83Å; R554-G557 PolarHBondContact O-N 3.12Å
555	Q	92.1	Very high	93.4	Very high	93 Å²	93	33.9 Å²	33.9	44%	0.435	16%	0.164	S	C	.	.	H	α-helix	trans	-61.6	-32	175.9	-76.3	176.4	27.6	0	0	111.7	D551 E552 I553 G557 Y894 R911	D551-Q555 VanDerWaalsContact O-CG 3.28Å; D551-Q555 WeakPolarHBondContact O-CG 3.38Å; D551-Q555 PolarHBondContact O-N 3.12Å; E552-Q555 WeakPolarHBondContact O-CB 3.39Å; E552-Q555 PolarHBondContact O-N 3Å; I553-Q555 VanDerWaalsContact C-N 3.25Å; I553-Q555 PolarHBondContact O-N 3.29Å; Q555-G557 PolarHBondContact O-N 2.93Å; Q555-G557 VanDerWaalsContact O-N 3.14Å; Q555-Y894 WeakPolarHBondContact CB-OH 3.48Å; Q555-Y894 PolarHBondContact OE1-OH 3.23Å; Q555-R911 PolarHBondContact O-NE 3.24Å; Q555-R911 PolarHBondContact O-NH2 3Å
556	V	94.6	Very high	93.7	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.3	-26.8	175.3	-169.9	0	0	0	0	111.8	E552 I553 R554 V558 L883 L893 Y894 L907 Y910 R911	E552-V556 PolarHBondContact O-N 3.19Å; I553-V556 WeakPolarHBondContact O-CB 3.36Å; I553-V556 PolarHBondContact O-N 3.46Å; R554-V556 PolarHBondContact O-N 2.83Å; V556-V558 HydrophobicContact CB-CG1 4.18Å; V556-V558 HydrophobicContact CB-CG2 4.33Å; V556-V558 HydrophobicContact CG1-CG1 3.77Å; V556-L883 HydrophobicContact CG2-CD1 3.93Å; V556-L893 HydrophobicContact CG1-CD1 3.97Å; V556-Y894 HydrophobicContact CG2-CE2 3.95Å; V556-L907 HydrophobicContact CG2-CD1 4.15Å; V556-Y910 HydrophobicContact CG1-CD1 3.97Å; V556-Y910 HydrophobicContact CG1-CE1 4.34Å; V556-R911 WeakPolarHBondContact O-CB 3.43Å; V556-R911 WeakPolarHBondContact O-CG 3.3Å
557	G	94.1	Very high	93.8	Very high	36 Å²	36	36 Å²	36	37%	0.371	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	13	-178.3	0	0	0	0	0	113.7	R554 Q555 I914	R554-G557 PolarHBondContact O-N 3.12Å; Q555-G557 PolarHBondContact O-N 2.93Å; Q555-G557 VanDerWaalsContact O-N 3.14Å; G557-I914 WeakPolarHBondContact O-CG2 3.18Å
558	V	96.5	Very high	94	Very high	9 Å²	9	31.9 Å²	31.9	6%	0.055	16%	0.164	C	C	.	.			trans	-74.7	152.9	177.9	-67.7	0	0	0	0	111.8	W491 V493 I553 V556 Y910 I914	W491-V558 VanDerWaalsContact O-CB 3.29Å; W491-V558 WeakPolarHBondContact O-CB 3.39Å; V493-V558 HydrophobicContact CB-CG1 4.28Å; V493-V558 HydrophobicContact CG1-CG1 4.35Å; V493-V558 HydrophobicContact CG1-CG2 4.1Å; I553-V558 HydrophobicContact CG2-CG2 3.85Å; V556-V558 HydrophobicContact CB-CG1 4.18Å; V556-V558 HydrophobicContact CB-CG2 4.33Å; V556-V558 HydrophobicContact CG1-CG1 3.77Å; V558-Y910 HydrophobicContact CG1-CE1 4.06Å; V558-I914 HydrophobicContact CG1-CD1 3.84Å
559	N	96.5	Very high	94.2	Very high	55 Å²	55	28.6 Å²	28.6	29%	0.294	15%	0.154	S	C	.	.	S	Bend	trans	-104.2	-6.6	173.3	62	14.4	0	0	0	112.5	F489 W491 T600	F489-N559 PolarHBondContact O-ND2 3.09Å; W491-N559 PolarHBondContact N-OD1 3.1Å; W491-N559 PolarHBondContact O-N 3.26Å; W491-N559 PolarHBondContact O-OD1 3.04Å; N559-T600 PolarHBondContact O-N 2.89Å
560	H	98.2	Very high	94.2	Very high	24 Å²	24	28.2 Å²	28.2	11%	0.111	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	148.6	173.5	-66.7	69.2	0	0	0	111.4	A490 W491 G492 T600 V602 F879	A490-H560 VanDerWaalsContact CB-CE1 3.45Å; A490-H560 WeakPolarHBondContact CB-CE1 3.18Å; A490-H560 WeakPolarHBondContact CB-ND1 3.19Å; W491-H560 PolarHBondContact O-N 3.32Å; W491-H560 VanDerWaalsContact O-N 3.08Å; G492-H560 VanDerWaalsContact CA-O 3.26Å; G492-H560 WeakPolarHBondContact CA-O 3.48Å; H560-T600 VanDerWaalsContact CA-O 3.28Å; H560-T600 WeakPolarHBondContact CA-O 3.25Å; H560-V602 HydrophobicContact CB-CG2 4.31Å; H560-F879 HydrophobicContact CB-CE1 3.65Å; H560-F879 HydrophobicContact CB-CZ 3.56Å
561	F	98.3	Very high	94.3	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.009	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	124	173	-179.8	-112.1	0	0	0	110.4	V493 A495 I498 I553 F563 F590 L594 V599 T600 V602 L883	V493-F561 HydrophobicContact CG1-CD2 3.65Å; V493-F561 HydrophobicContact CG1-CE2 4.02Å; V493-F561 WeakPolarHBondContact O-CD2 3.39Å; A495-F561 HydrophobicContact CB-CE2 4.38Å; A495-F561 HydrophobicContact CB-CZ 4.08Å; I498-F561 HydrophobicContact CG2-CE1 3.89Å; I498-F561 HydrophobicContact CG2-CZ 4.25Å; I553-F561 HydrophobicContact CD1-CD1 3.65Å; I553-F561 HydrophobicContact CD1-CD2 3.73Å; I553-F561 HydrophobicContact CD1-CE1 3.61Å; I553-F561 HydrophobicContact CD1-CE2 3.72Å; I553-F561 HydrophobicContact CD1-CG 3.69Å; I553-F561 HydrophobicContact CD1-CZ 3.65Å; I553-F561 HydrophobicContact CG1-CD2 3.82Å; I553-F561 HydrophobicContact CG1-CE2 3.85Å; I553-F561 HydrophobicContact CG1-CG 4.22Å; I553-F561 HydrophobicContact CG1-CZ 4.24Å; I553-F561 HydrophobicContact CG2-CB 4.01Å; I553-F561 HydrophobicContact CG2-CD2 4.03Å; I553-F561 HydrophobicContact CG2-CG 4.12Å; F561-F563 HydrophobicContact CD1-CB 4.45Å; F561-F563 AromaticContact CD1-CD1 3.67Å; F561-F563 HydrophobicContact CD1-CD1 3.67Å; F561-F563 HydrophobicContact CD1-CE1 4.41Å; F561-F563 HydrophobicContact CD1-CG 4.42Å; F561-F563 HydrophobicContact CE1-CB 3.81Å; F561-F563 AromaticContact CE1-CD1 3.72Å; F561-F563 HydrophobicContact CE1-CD1 3.72Å; F561-F563 HydrophobicContact CE1-CG 4.02Å; F561-F563 HydrophobicContact CZ-CB 4.3Å; F561-F590 HydrophobicContact CD1-CE1 4.07Å; F561-F590 HydrophobicContact CD1-CZ 4.25Å; F561-F590 AromaticContact CE1-CE1 3.81Å; F561-F590 HydrophobicContact CE1-CE1 3.81Å; F561-F590 AromaticContact CE1-CZ 3.82Å; F561-F590 HydrophobicContact CE1-CZ 3.82Å; F561-L594 HydrophobicContact CB-CD1 4.42Å; F561-L594 HydrophobicContact CB-CD2 4.42Å; F561-L594 HydrophobicContact CD1-CD1 3.87Å; F561-L594 HydrophobicContact CD1-CD2 4.45Å; F561-V599 HydrophobicContact CB-CG1 3.68Å; F561-T600 PolarHBondContact N-O 2.68Å; F561-V602 PolarHBondContact O-N 3.11Å; F561-L883 HydrophobicContact CE2-CB 4.45Å; F561-L883 HydrophobicContact CE2-CD2 3.86Å; F561-L883 HydrophobicContact CZ-CD2 4.13Å
562	H	97.8	Very high	94.3	Very high	6 Å²	6	27.7 Å²	27.7	3%	0.028	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	126	-178.2	174.8	-141.7	0	0	0	111.2	V493 S494 A495 V602 T604 M837 F879	V493-H562 PolarHBondContact O-N 2.91Å; S494-H562 CarbonylContact C-O 3.58Å; S494-H562 WeakPolarHBondContact CA-O 3.42Å; S494-H562 WeakPolarHBondContact OG-CB 3.45Å; S494-H562 PolarHBondContact OG-ND1 2.93Å; A495-H562 PolarHBondContact N-O 3.28Å; H562-V602 WeakPolarHBondContact CA-O 3.45Å; H562-V602 HydrophobicContact CB-CB 4.1Å; H562-V602 PolarHBondContact CD2-O 3.33Å; H562-T604 PolarHBondContact NE2-OG1 2.66Å; H562-M837 HydrophobicContact CB-CE 4.09Å; H562-F879 HydrophobicContact CB-CD1 3.7Å; H562-F879 HydrophobicContact CB-CE1 3.82Å
563	F	95.9	Very high	94.2	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	161.1	175.4	70	-80.1	0	0	0	112.5	A495 I498 F561 L565 Y587 F590 T591 L594 P601 V602 V603 T604	A495-F563 WeakPolarHBondContact O-CA 3.38Å; I498-F563 HydrophobicContact CD1-CD2 4.26Å; I498-F563 HydrophobicContact CD1-CE2 4.22Å; I498-F563 HydrophobicContact CG1-CD2 4.45Å; I498-F563 HydrophobicContact CG2-CB 3.67Å; I498-F563 HydrophobicContact CG2-CD2 3.83Å; I498-F563 HydrophobicContact CG2-CG 3.76Å; F561-F563 HydrophobicContact CD1-CB 4.45Å; F561-F563 AromaticContact CD1-CD1 3.67Å; F561-F563 HydrophobicContact CD1-CD1 3.67Å; F561-F563 HydrophobicContact CD1-CE1 4.41Å; F561-F563 HydrophobicContact CD1-CG 4.42Å; F561-F563 HydrophobicContact CE1-CB 3.81Å; F561-F563 AromaticContact CE1-CD1 3.72Å; F561-F563 HydrophobicContact CE1-CD1 3.72Å; F561-F563 HydrophobicContact CE1-CG 4.02Å; F561-F563 HydrophobicContact CZ-CB 4.3Å; F563-L565 HydrophobicContact CE2-CD2 3.98Å; F563-Y587 AromaticContact CE2-CD1 3.9Å; F563-Y587 HydrophobicContact CE2-CD1 3.9Å; F563-Y587 HydrophobicContact CE2-CE1 4.15Å; F563-F590 HydrophobicContact CD1-CE1 4.06Å; F563-F590 AromaticContact CE1-CD1 3.99Å; F563-F590 HydrophobicContact CE1-CD1 3.99Å; F563-F590 AromaticContact CE1-CE1 3.86Å; F563-F590 HydrophobicContact CE1-CE1 3.86Å; F563-F590 HydrophobicContact CE2-CD1 4.29Å; F563-F590 HydrophobicContact CG-CE1 4.46Å; F563-F590 AromaticContact CZ-CD1 3.82Å; F563-F590 HydrophobicContact CZ-CD1 3.82Å; F563-F590 HydrophobicContact CZ-CE1 4.1Å; F563-T591 HydrophobicContact CE1-CG2 4.32Å; F563-T591 HydrophobicContact CZ-CG2 3.82Å; F563-L594 HydrophobicContact CE1-CD1 4.25Å; F563-P601 HydrophobicContact CE1-CB 4.25Å; F563-V602 PolarHBondContact N-O 2.96Å; F563-V602 VanDerWaalsContact N-O 3.1Å; F563-V603 HydrophobicContact CE1-CG2 3.78Å; F563-V603 HydrophobicContact CE2-CG2 4.45Å; F563-V603 HydrophobicContact CZ-CG2 3.69Å; F563-T604 PolarHBondContact O-N 3.39Å
564	S	94.3	Very high	93.8	Very high	6 Å²	6	30.7 Å²	30.7	4%	0.042	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	146.2	178	-40.6	0	0	0	0	113.1	N496 T604	N496-S564 WeakPolarHBondContact O-CB 3.42Å; N496-S564 PolarHBondContact O-N 3.47Å; N496-S564 PolarHBondContact O-OG 3.37Å; S564-T604 WeakPolarHBondContact CA-O 3.15Å; S564-T604 WeakPolarHBondContact OG-CB 3.22Å
565	L	94.3	Very high	93.7	Very high	7 Å²	7	28 Å²	28	4%	0.037	17%	0.171	C	C	.	.			trans	-81.4	160.7	166.1	-55.9	179.4	0	0	0	110.5	F563 L570 Y587 V603 T604 L605 Y637 C641 M645	F563-L565 HydrophobicContact CE2-CD2 3.98Å; L565-L570 HydrophobicContact CB-CD1 3.96Å; L565-L570 HydrophobicContact CD1-CD1 4.15Å; L565-L570 HydrophobicContact CG-CD1 4.43Å; L565-Y587 HydrophobicContact CD2-CD1 3.65Å; L565-Y587 HydrophobicContact CD2-CD2 3.91Å; L565-Y587 HydrophobicContact CD2-CE1 3.77Å; L565-Y587 HydrophobicContact CD2-CE2 4.02Å; L565-Y587 HydrophobicContact CD2-CG 3.72Å; L565-V603 HydrophobicContact CD1-CG1 3.73Å; L565-V603 HydrophobicContact CD2-CG1 3.87Å; L565-V603 HydrophobicContact CG-CG1 3.54Å; L565-T604 PolarHBondContact N-O 3.08Å; L565-L605 HydrophobicContact CD1-CD2 4.08Å; L565-Y637 WeakPolarHBondContact CB-OH 3.36Å; L565-C641 HydrophobicContact CD1-CB 4.35Å; L565-M645 HydrophobicContact CD1-CE 3.64Å; L565-M645 HydrophobicContact CD2-CE 4.32Å
566	N	91.6	Very high	93.8	Very high	56 Å²	56	25.4 Å²	25.4	30%	0.299	16%	0.161	S	C	.	.			trans	-109.1	103.7	172.5	-176.3	-22.1	0	0	0	109.5	S568 A569 L570	N566-S568 PolarHBondContact OD1-N 2.97Å; N566-S568 PolarHBondContact OD1-OG 3.5Å; N566-A569 HydrophobicContact CB-CB 3.93Å; N566-A569 PolarHBondContact O-N 3.27Å; N566-A569 PolarHBondContact OD1-N 2.88Å; N566-A569 VanDerWaalsContact OD1-N 3.08Å; N566-L570 WeakPolarHBondContact O-CB 3.36Å; N566-L570 WeakPolarHBondContact O-CG 3.41Å; N566-L570 PolarHBondContact O-N 2.92Å
567	W	93.3	Very high	93.7	Very high	1 Å²	1	28.5 Å²	28.5	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-62.3	-47	-177.7	-176.8	13	0	0	0	111.8	A569 L570 V571 W606 L615 P616 L619 W625 T630 A633 F634 Y637	W567-A569 PolarHBondContact O-N 3.26Å; W567-L570 PolarHBondContact O-N 2.73Å; W567-L570 VanDerWaalsContact O-N 3.16Å; W567-V571 PolarHBondContact O-N 2.85Å; W567-W606 AromaticContact CE3-CD1 3.96Å; W567-L615 HydrophobicContact CE3-CD2 3.67Å; W567-L615 HydrophobicContact CH2-CD2 4.2Å; W567-L615 HydrophobicContact CZ3-CD2 3.31Å; W567-P616 HydrophobicContact CD2-CG 4.05Å; W567-P616 HydrophobicContact CG-CG 4.04Å; W567-P616 HydrophobicContact CZ2-CG 4.37Å; W567-L619 HydrophobicContact CH2-CD1 3.81Å; W567-L619 HydrophobicContact CZ2-CD1 3.65Å; W567-W625 HydrophobicContact CZ3-CH2 4.4Å; W567-T630 HydrophobicContact CH2-CG2 4.39Å; W567-A633 HydrophobicContact CZ2-CB 4.32Å; W567-F634 AromaticContact CE3-CD2 3.91Å; W567-F634 HydrophobicContact CE3-CD2 3.91Å; W567-F634 HydrophobicContact CH2-CB 3.62Å; W567-F634 HydrophobicContact CH2-CD2 4Å; W567-F634 HydrophobicContact CH2-CG 4.33Å; W567-F634 HydrophobicContact CZ2-CB 4.32Å; W567-F634 HydrophobicContact CZ3-CB 3.99Å; W567-F634 AromaticContact CZ3-CD2 3.6Å; W567-F634 HydrophobicContact CZ3-CD2 3.6Å; W567-F634 HydrophobicContact CZ3-CG 4.27Å; W567-Y637 HydrophobicContact CB-CD1 4.44Å; W567-Y637 HydrophobicContact CB-CE1 3.88Å; W567-Y637 HydrophobicContact CB-CE2 4.3Å; W567-Y637 AromaticContact CD1-CD1 3.77Å; W567-Y637 AromaticContact CD1-CD2 3.4Å; W567-Y637 VanDerWaalsContact CD1-CD2 3.4Å; W567-Y637 AromaticContact CD1-CE1 3.96Å; W567-Y637 AromaticContact CD1-CE2 3.62Å; W567-Y637 AromaticContact CD1-CG 3.47Å; W567-Y637 VanDerWaalsContact CD1-CG 3.47Å; W567-Y637 AromaticContact CD1-CZ 3.89Å; W567-Y637 AromaticContact CD2-CD1 3.89Å; W567-Y637 HydrophobicContact CD2-CD1 3.89Å; W567-Y637 HydrophobicContact CD2-CE1 4.18Å; W567-Y637 HydrophobicContact CD2-CG 4.21Å; W567-Y637 AromaticContact CE2-CD1 3.95Å; W567-Y637 AromaticContact CE2-CG 3.88Å; W567-Y637 AromaticContact CG-CD1 3.81Å; W567-Y637 HydrophobicContact CG-CD1 3.81Å; W567-Y637 HydrophobicContact CG-CD2 4.16Å; W567-Y637 AromaticContact CG-CE1 3.74Å; W567-Y637 HydrophobicContact CG-CE1 3.74Å; W567-Y637 HydrophobicContact CG-CE2 4.1Å; W567-Y637 HydrophobicContact CG-CG 4Å; W567-Y637 AromaticContact CG-CZ 3.89Å; W567-Y637 AromaticContact NE1-CD1 3.88Å; W567-Y637 AromaticContact NE1-CD2 3.7Å; W567-Y637 AromaticContact NE1-CG 3.41Å
568	S	91.7	Very high	93.6	Very high	33 Å²	33	34.6 Å²	34.6	23%	0.231	20%	0.2	C	C	.	.	H	α-helix	trans	-63.3	-28.1	179.4	67.8	0	0	0	0	113.3	N566 P572 N614 L615	N566-S568 PolarHBondContact OD1-N 2.97Å; N566-S568 PolarHBondContact OD1-OG 3.5Å; S568-P572 WeakPolarHBondContact O-CA 3.21Å; S568-N614 PolarHBondContact N-O 2.97Å; S568-L615 WeakPolarHBondContact CB-O 3.45Å
569	A	91.6	Very high	93.4	Very high	31 Å²	31	35.8 Å²	35.8	26%	0.256	21%	0.208	S	C	.	.	H	α-helix	trans	-82.5	-32.8	174	0	0	0	0	0	113.5	N566 W567 N580 L583	N566-A569 HydrophobicContact CB-CB 3.93Å; N566-A569 PolarHBondContact O-N 3.27Å; N566-A569 PolarHBondContact OD1-N 2.88Å; N566-A569 VanDerWaalsContact OD1-N 3.08Å; W567-A569 PolarHBondContact O-N 3.26Å; A569-N580 WeakPolarHBondContact O-CB 3.48Å; A569-N580 PolarHBondContact O-ND2 3.33Å; A569-L583 HydrophobicContact CB-CD2 3.63Å
570	L	93.1	Very high	93.3	Very high	3 Å²	3	36 Å²	36	2%	0.016	21%	0.209	C	C	.	.	H	α-helix	trans	-78	-38.8	-179	-85.3	171.6	0	0	0	113	L565 N566 W567 P579 N580 L583 L584 Y587 Y637	L565-L570 HydrophobicContact CB-CD1 3.96Å; L565-L570 HydrophobicContact CD1-CD1 4.15Å; L565-L570 HydrophobicContact CG-CD1 4.43Å; N566-L570 WeakPolarHBondContact O-CB 3.36Å; N566-L570 WeakPolarHBondContact O-CG 3.41Å; N566-L570 PolarHBondContact O-N 2.92Å; W567-L570 PolarHBondContact O-N 2.73Å; W567-L570 VanDerWaalsContact O-N 3.16Å; L570-P579 WeakPolarHBondContact O-CA 3.39Å; L570-N580 PolarHBondContact O-N 3.33Å; L570-L583 HydrophobicContact CD2-CB 4.18Å; L570-L583 HydrophobicContact CD2-CD2 3.98Å; L570-L583 HydrophobicContact CD2-CG 3.79Å; L570-L583 HydrophobicContact CG-CD2 3.99Å; L570-L583 HydrophobicContact CG-CG 4.3Å; L570-L584 HydrophobicContact CD2-CB 4.12Å; L570-L584 HydrophobicContact CD2-CD1 4.25Å; L570-Y587 HydrophobicContact CD1-CD2 4.14Å; L570-Y587 HydrophobicContact CD1-CE2 3.93Å; L570-Y587 HydrophobicContact CD2-CD2 3.94Å; L570-Y587 HydrophobicContact CD2-CE2 4.02Å; L570-Y587 HydrophobicContact CG-CD2 4.33Å; L570-Y587 HydrophobicContact CG-CE2 3.99Å; L570-Y637 HydrophobicContact CB-CE2 4.2Å; L570-Y637 HydrophobicContact CD1-CE2 4.05Å
571	V	94.4	Very high	93	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	-132.8	73.2	179.6	-168	0	0	0	0	108.9	W567 T573 G574 D575 V576 P616 Y637 L640	W567-V571 PolarHBondContact O-N 2.85Å; V571-T573 PolarHBondContact O-N 2.77Å; V571-T573 VanDerWaalsContact O-N 3.17Å; V571-G574 PolarHBondContact O-N 3.41Å; V571-D575 VanDerWaalsContact CG1-C 3.41Å; V571-D575 VanDerWaalsContact CG1-O 3.25Å; V571-D575 WeakPolarHBondContact CG1-O 3.5Å; V571-V576 HydrophobicContact CG1-CG1 4.46Å; V571-P616 WeakPolarHBondContact O-CB 3.5Å; V571-P616 VanDerWaalsContact O-CG 3.27Å; V571-P616 WeakPolarHBondContact O-CG 3.25Å; V571-Y637 HydrophobicContact CG2-CD2 3.83Å; V571-Y637 HydrophobicContact CG2-CE2 4.38Å; V571-L640 HydrophobicContact CG2-CD2 4.01Å
572	P	91.4	Very high	92.5	Very high	61 Å²	61	42.7 Å²	42.7	40%	0.396	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-29.6	-170.9	-23.1	34	0	0	0	114.5	S568 G574 P618	S568-P572 WeakPolarHBondContact O-CA 3.21Å; P572-G574 VanDerWaalsContact C-N 3.34Å; P572-P618 WeakPolarHBondContact O-CD 3.34Å
573	T	89.9	Confident	92.2	Very high	73 Å²	73	42.8 Å²	42.8	45%	0.448	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-12	178.2	59.2	0	0	0	0	113.3	V571 D575 P618	V571-T573 PolarHBondContact O-N 2.77Å; V571-T573 VanDerWaalsContact O-N 3.17Å; T573-D575 PolarHBondContact O-N 3.02Å; T573-D575 PolarHBondContact OG1-N 3.33Å; T573-D575 PolarHBondContact OG1-O 3.37Å; T573-P618 WeakPolarHBondContact O-CG 3.42Å
574	G	87.4	Confident	92.1	Very high	14 Å²	14	43.1 Å²	43.1	14%	0.144	25%	0.254	C	S	.	.	S	Bend	trans	75.4	-7.9	-167.6	0	0	0	0	0	114.7	V571 P572	V571-G574 PolarHBondContact O-N 3.41Å; P572-G574 VanDerWaalsContact C-N 3.34Å
575	D	91.3	Very high	91.9	Very high	78 Å²	78	43.9 Å²	43.9	42%	0.417	26%	0.263	S	S	.	.			trans	-99.8	116.6	176.6	-175.1	-4.9	0	0	0	110.9	V571 T573 A577 Y578	V571-D575 VanDerWaalsContact CG1-C 3.41Å; V571-D575 VanDerWaalsContact CG1-O 3.25Å; V571-D575 WeakPolarHBondContact CG1-O 3.5Å; T573-D575 PolarHBondContact O-N 3.02Å; T573-D575 PolarHBondContact OG1-N 3.33Å; T573-D575 PolarHBondContact OG1-O 3.37Å; D575-A577 PolarHBondContact O-N 2.86Å; D575-A577 VanDerWaalsContact O-N 3.09Å; D575-A577 WeakPolarHBondContact OD1-CB 3.37Å; D575-A577 PolarHBondContact OD1-N 3.2Å; D575-Y578 HydrophobicContact CB-CD2 4.36Å; D575-Y578 PolarHBondContact O-N 3.36Å
576	V	93.5	Very high	91.8	Very high	38 Å²	38	43.5 Å²	43.5	23%	0.23	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-9	-179.3	-62.5	0	0	0	0	114	V571 Y578 P579 D636 L640	V571-V576 HydrophobicContact CG1-CG1 4.46Å; V576-Y578 PolarHBondContact O-N 2.89Å; V576-P579 WeakPolarHBondContact O-CD 3.32Å; V576-D636 HydrophobicContact CG1-CB 4.23Å; V576-D636 HydrophobicContact CG2-CB 4.23Å; V576-L640 HydrophobicContact CB-CD2 4.4Å; V576-L640 HydrophobicContact CG1-CB 4.47Å; V576-L640 HydrophobicContact CG1-CD2 4.43Å
577	A	92.4	Very high	91.9	Very high	65 Å²	65	41.2 Å²	41.2	54%	0.537	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-22.8	169.5	0	0	0	0	0	113	D575 P579	D575-A577 PolarHBondContact O-N 2.86Å; D575-A577 VanDerWaalsContact O-N 3.09Å; D575-A577 WeakPolarHBondContact OD1-CB 3.37Å; D575-A577 PolarHBondContact OD1-N 3.2Å; A577-P579 VanDerWaalsContact C-CD 3.41Å; A577-P579 WeakPolarHBondContact O-CD 3.38Å
578	Y	91.6	Very high	92	Very high	165 Å²	165	46 Å²	46	65%	0.647	27%	0.266	S	S	*	.	S	Bend	trans	-124.6	61.1	-176.7	-55.1	-79.4	0	0	0	112.4	D575 V576	D575-Y578 HydrophobicContact CB-CD2 4.36Å; D575-Y578 PolarHBondContact O-N 3.36Å; V576-Y578 PolarHBondContact O-N 2.89Å
579	P	93.8	Very high	92.1	Very high	33 Å²	33	45.2 Å²	45.2	21%	0.214	26%	0.26	C	S	.	.			trans	-76.3	155.7	-179.6	34.2	-34.8	0	0	0	111.7	L570 V576 A577 T581 L640	L570-P579 WeakPolarHBondContact O-CA 3.39Å; V576-P579 WeakPolarHBondContact O-CD 3.32Å; A577-P579 VanDerWaalsContact C-CD 3.41Å; A577-P579 WeakPolarHBondContact O-CD 3.38Å; P579-T581 HydrophobicContact CG-CG2 4.39Å; P579-T581 PolarHBondContact O-N 2.93Å; P579-L640 HydrophobicContact CB-CD2 3.85Å; P579-L640 HydrophobicContact CG-CD2 4.48Å
580	N	93.9	Very high	92.2	Very high	60 Å²	60	43.7 Å²	43.7	32%	0.321	25%	0.248	S	C	.	.			trans	-72.2	91.5	166.6	-175.5	-20.5	0	0	0	109.6	A569 L570 T582 L583 L584	A569-N580 WeakPolarHBondContact O-CB 3.48Å; A569-N580 PolarHBondContact O-ND2 3.33Å; L570-N580 PolarHBondContact O-N 3.33Å; N580-T582 VanDerWaalsContact C-N 3.29Å; N580-T582 PolarHBondContact O-N 3.14Å; N580-T582 PolarHBondContact OD1-N 3.29Å; N580-L583 HydrophobicContact CB-CB 4.21Å; N580-L583 PolarHBondContact O-N 3.34Å; N580-L583 PolarHBondContact OD1-N 2.97Å; N580-L583 VanDerWaalsContact OD1-N 3.14Å; N580-L584 WeakPolarHBondContact O-CB 3.31Å; N580-L584 PolarHBondContact O-N 3.45Å
581	T	90.7	Very high	92.4	Very high	99 Å²	99	43.6 Å²	43.6	61%	0.607	25%	0.247	S	C	*	.	H	α-helix	trans	-62.7	-33.2	-175.2	52.5	0	0	0	0	113	P579 G585	P579-T581 HydrophobicContact CG-CG2 4.39Å; P579-T581 PolarHBondContact O-N 2.93Å; T581-G585 PolarHBondContact O-N 2.95Å
582	T	89	Confident	92.4	Very high	68 Å²	68	49.5 Å²	49.5	42%	0.417	27%	0.27	S	S	.	.	H	α-helix	trans	-64.4	-49.1	176.9	-52.3	0	0	0	0	111.2	T502 N580 G585 Y586	T502-T582 HydrophobicContact CG2-CG2 4.18Å; N580-T582 VanDerWaalsContact C-N 3.29Å; N580-T582 PolarHBondContact O-N 3.14Å; N580-T582 PolarHBondContact OD1-N 3.29Å; T582-G585 PolarHBondContact O-N 3.36Å; T582-Y586 PolarHBondContact O-N 2.96Å
583	L	91.9	Very high	92.6	Very high	8 Å²	8	48.8 Å²	48.8	4%	0.042	26%	0.261	C	S	.	.	H	α-helix	trans	-67.4	-39.8	178.9	-179.1	57.6	0	0	0	111.9	V500 T502 A569 L570 N580 G585 Y586 Y587	V500-L583 HydrophobicContact CB-CD1 4.49Å; V500-L583 HydrophobicContact CG1-CD1 3.41Å; V500-L583 VanDerWaalsContact CG1-CD1 3.41Å; V500-L583 HydrophobicContact CG2-CD1 4.3Å; T502-L583 HydrophobicContact CG2-CD1 4.29Å; A569-L583 HydrophobicContact CB-CD2 3.63Å; L570-L583 HydrophobicContact CD2-CB 4.18Å; L570-L583 HydrophobicContact CD2-CD2 3.98Å; L570-L583 HydrophobicContact CD2-CG 3.79Å; L570-L583 HydrophobicContact CG-CD2 3.99Å; L570-L583 HydrophobicContact CG-CG 4.3Å; N580-L583 HydrophobicContact CB-CB 4.21Å; N580-L583 PolarHBondContact O-N 3.34Å; N580-L583 PolarHBondContact OD1-N 2.97Å; N580-L583 VanDerWaalsContact OD1-N 3.14Å; L583-G585 VanDerWaalsContact C-N 3.28Å; L583-G585 PolarHBondContact O-N 2.9Å; L583-Y586 WeakPolarHBondContact O-CB 3.41Å; L583-Y586 PolarHBondContact O-N 3.49Å; L583-Y586 VanDerWaalsContact O-N 3.15Å; L583-Y587 HydrophobicContact CD1-CD2 4.06Å; L583-Y587 HydrophobicContact CD1-CE2 3.56Å; L583-Y587 HydrophobicContact CD2-CE2 4.02Å; L583-Y587 HydrophobicContact CG-CD2 3.99Å; L583-Y587 HydrophobicContact CG-CE2 3.56Å; L583-Y587 VanDerWaalsContact O-CD2 3.3Å; L583-Y587 WeakPolarHBondContact O-CD2 3.39Å; L583-Y587 PolarHBondContact O-N 2.93Å
584	L	92.3	Very high	92.9	Very high	7 Å²	7	45.3 Å²	45.3	4%	0.037	24%	0.24	C	C	.	.	H	α-helix	trans	-61.3	-39.6	174	-173.5	66.6	0	0	0	111.4	L570 N580 R588 L640 E644	L570-L584 HydrophobicContact CD2-CB 4.12Å; L570-L584 HydrophobicContact CD2-CD1 4.25Å; N580-L584 WeakPolarHBondContact O-CB 3.31Å; N580-L584 PolarHBondContact O-N 3.45Å; L584-R588 WeakPolarHBondContact O-CB 3.48Å; L584-R588 PolarHBondContact O-N 3.17Å; L584-L640 HydrophobicContact CD2-CD1 4.45Å; L584-E644 HydrophobicContact CD1-CB 3.86Å; L584-E644 HydrophobicContact CD1-CG 4.06Å; L584-E644 HydrophobicContact CD2-CB 4.26Å; L584-E644 HydrophobicContact CD2-CG 3.67Å; L584-E644 HydrophobicContact CG-CB 4.22Å; L584-E644 HydrophobicContact CG-CG 4.19Å
585	G	90.6	Very high	93.3	Very high	21 Å²	21	47.5 Å²	47.5	22%	0.216	25%	0.25	C	S	.	.	H	α-helix	trans	-61.1	-42	171.8	0	0	0	0	0	112.6	T581 T582 L583 R588 C589	T581-G585 PolarHBondContact O-N 2.95Å; T582-G585 PolarHBondContact O-N 3.36Å; L583-G585 VanDerWaalsContact C-N 3.28Å; L583-G585 PolarHBondContact O-N 2.9Å; G585-R588 PolarHBondContact O-N 3.46Å; G585-C589 WeakPolarHBondContact O-CB 2.99Å; G585-C589 PolarHBondContact O-N 3.24Å
586	Y	92.6	Very high	93.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.3	-52.8	175.3	-174.1	-85.6	0	0	0	111.8	I498 Q499 V500 E501 Y543 T545 I546 Q549 T582 L583 R588 C589 F590	I498-Y586 HydrophobicContact CD1-CD1 4.47Å; I498-Y586 HydrophobicContact CD1-CE1 3.88Å; Q499-Y586 PolarHBondContact O-OH 2.96Å; V500-Y586 HydrophobicContact CG1-CD1 4.34Å; V500-Y586 HydrophobicContact CG1-CE1 4.5Å; V500-Y586 HydrophobicContact CG2-CD1 4.5Å; V500-Y586 HydrophobicContact CG2-CE1 4.3Å; E501-Y586 VanDerWaalsContact O-CE2 3.23Å; E501-Y586 WeakPolarHBondContact O-CE2 3.49Å; Y543-Y586 AromaticContact CD1-CD2 3.8Å; Y543-Y586 HydrophobicContact CD1-CD2 3.8Å; Y543-Y586 HydrophobicContact CD1-CE2 4.12Å; Y543-Y586 HydrophobicContact CD2-CD2 4.28Å; Y543-Y586 HydrophobicContact CE1-CD2 4.09Å; Y543-Y586 AromaticContact CG-CD2 3.9Å; Y543-Y586 HydrophobicContact CG-CD2 3.9Å; Y543-Y586 HydrophobicContact CG-CE2 4.09Å; T545-Y586 PolarHBondContact OG1-OH 3.42Å; T545-Y586 VanDerWaalsContact OG1-OH 3.07Å; I546-Y586 HydrophobicContact CD1-CD2 3.9Å; I546-Y586 HydrophobicContact CD1-CE1 4.33Å; I546-Y586 HydrophobicContact CD1-CE2 3.73Å; I546-Y586 HydrophobicContact CD1-CG 4.29Å; I546-Y586 HydrophobicContact CG1-CD2 4.25Å; I546-Y586 HydrophobicContact CG1-CE1 4.13Å; I546-Y586 HydrophobicContact CG1-CE2 3.55Å; I546-Y586 VanDerWaalsContact CG1-CZ 3.46Å; I546-Y586 WeakPolarHBondContact CG1-OH 3.45Å; Q549-Y586 PolarHBondContact NE2-OH 3.5Å; T582-Y586 PolarHBondContact O-N 2.96Å; L583-Y586 WeakPolarHBondContact O-CB 3.41Å; L583-Y586 PolarHBondContact O-N 3.49Å; L583-Y586 VanDerWaalsContact O-N 3.15Å; Y586-R588 VanDerWaalsContact C-N 3.33Å; Y586-R588 PolarHBondContact O-N 3.1Å; Y586-C589 WeakPolarHBondContact O-CB 3.42Å; Y586-C589 PolarHBondContact O-N 2.91Å; Y586-C589 VanDerWaalsContact O-N 3.13Å; Y586-F590 WeakPolarHBondContact O-CB 3.5Å; Y586-F590 PolarHBondContact O-N 3.32Å
587	Y	94.6	Very high	93.5	Very high	8 Å²	8	48.3 Å²	48.3	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-64.2	-36.4	179.1	-70.3	-61.7	0	0	0	112.9	I498 V500 F563 L565 L570 L583 C589 F590 T591	I498-Y587 HydrophobicContact CD1-CD1 3.76Å; I498-Y587 HydrophobicContact CD1-CE1 3.57Å; I498-Y587 HydrophobicContact CG1-CE1 3.93Å; V500-Y587 HydrophobicContact CG2-CE1 4.35Å; F563-Y587 AromaticContact CE2-CD1 3.9Å; F563-Y587 HydrophobicContact CE2-CD1 3.9Å; F563-Y587 HydrophobicContact CE2-CE1 4.15Å; L565-Y587 HydrophobicContact CD2-CD1 3.65Å; L565-Y587 HydrophobicContact CD2-CD2 3.91Å; L565-Y587 HydrophobicContact CD2-CE1 3.77Å; L565-Y587 HydrophobicContact CD2-CE2 4.02Å; L565-Y587 HydrophobicContact CD2-CG 3.72Å; L570-Y587 HydrophobicContact CD1-CD2 4.14Å; L570-Y587 HydrophobicContact CD1-CE2 3.93Å; L570-Y587 HydrophobicContact CD2-CD2 3.94Å; L570-Y587 HydrophobicContact CD2-CE2 4.02Å; L570-Y587 HydrophobicContact CG-CD2 4.33Å; L570-Y587 HydrophobicContact CG-CE2 3.99Å; L583-Y587 HydrophobicContact CD1-CD2 4.06Å; L583-Y587 HydrophobicContact CD1-CE2 3.56Å; L583-Y587 HydrophobicContact CD2-CE2 4.02Å; L583-Y587 HydrophobicContact CG-CD2 3.99Å; L583-Y587 HydrophobicContact CG-CE2 3.56Å; L583-Y587 VanDerWaalsContact O-CD2 3.3Å; L583-Y587 WeakPolarHBondContact O-CD2 3.39Å; L583-Y587 PolarHBondContact O-N 2.93Å; Y587-C589 VanDerWaalsContact C-N 3.32Å; Y587-C589 PolarHBondContact O-N 2.83Å; Y587-F590 PolarHBondContact O-N 3.33Å; Y587-T591 WeakPolarHBondContact O-CB 3.48Å; Y587-T591 WeakPolarHBondContact O-CG2 3.43Å; Y587-T591 PolarHBondContact O-N 3.04Å; Y587-T591 PolarHBondContact O-OG1 3.28Å
588	R	94	Very high	93.7	Very high	101 Å²	101	52.1 Å²	52.1	38%	0.381	26%	0.264	S	S	.	.	H	α-helix	trans	-61.4	-42.7	172.7	-170	-174	-50.8	169.5	16.5	111.4	L584 G585 Y586 T591 R592 E644	L584-R588 WeakPolarHBondContact O-CB 3.48Å; L584-R588 PolarHBondContact O-N 3.17Å; G585-R588 PolarHBondContact O-N 3.46Å; Y586-R588 VanDerWaalsContact C-N 3.33Å; Y586-R588 PolarHBondContact O-N 3.1Å; R588-T591 PolarHBondContact O-OG1 3.25Å; R588-T591 VanDerWaalsContact O-OG1 3.07Å; R588-R592 VanDerWaalsContact O-CB 3.29Å; R588-R592 WeakPolarHBondContact O-CB 3.34Å; R588-R592 PolarHBondContact O-N 3.38Å; R588-R592 VanDerWaalsContact O-N 3.09Å; R588-E644 IonicContact CZ-OE2 2.66Å; R588-E644 PolarHBondContact NE-O 2.8Å; R588-E644 IonicContact NE-OE2 2.77Å; R588-E644 IonicContact NH1-OE2 3.69Å; R588-E644 IonicContact NH2-OE2 2.63Å; R588-E644 PolarHBondContact NH2-OE2 2.96Å
589	C	93.3	Very high	93.9	Very high	16 Å²	16	44.4 Å²	44.4	11%	0.108	23%	0.234	C	C	.	.	H	α-helix	trans	-65.6	-45.2	175.8	-90.1	0	0	0	0	112.2	C540 Y543 I546 G585 Y586 Y587 R592 Q593	C540-C589 WeakPolarHBondContact CA-SG 3.47Å; C540-C589 HydrophobicContact CB-CB 3.55Å; C540-C589 WeakPolarHBondContact CB-SG 3.23Å; C540-C589 WeakPolarHBondContact SG-CA 3.31Å; C540-C589 WeakPolarHBondContact SG-CB 3.48Å; C540-C589 CovalentContact SG-SG 2.05Å; C540-C589 PolarHBondContact SG-SG 3.33Å; Y543-C589 HydrophobicContact CD2-CB 4.47Å; I546-C589 HydrophobicContact CD1-CB 3.8Å; G585-C589 WeakPolarHBondContact O-CB 2.99Å; G585-C589 PolarHBondContact O-N 3.24Å; Y586-C589 WeakPolarHBondContact O-CB 3.42Å; Y586-C589 PolarHBondContact O-N 2.91Å; Y586-C589 VanDerWaalsContact O-N 3.13Å; Y587-C589 VanDerWaalsContact C-N 3.32Å; Y587-C589 PolarHBondContact O-N 2.83Å; C589-R592 PolarHBondContact O-N 3.32Å; C589-Q593 WeakPolarHBondContact O-CG 3.43Å; C589-Q593 PolarHBondContact O-N 2.97Å
590	F	95	Very high	94.1	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.2	-50.9	179.5	-173.2	-104.9	0	0	0	111.8	I498 I546 Q549 V550 I553 F561 F563 Y586 Y587 R592 Q593 L594	I498-F590 HydrophobicContact CD1-CD1 3.73Å; I498-F590 HydrophobicContact CD1-CD2 4.33Å; I498-F590 HydrophobicContact CD1-CE1 3.93Å; I498-F590 HydrophobicContact CD1-CG 3.95Å; I498-F590 HydrophobicContact CD1-CZ 4.34Å; I498-F590 HydrophobicContact CG2-CE1 3.83Å; I498-F590 HydrophobicContact CG2-CZ 3.94Å; I546-F590 HydrophobicContact CB-CD2 4.39Å; I546-F590 HydrophobicContact CD1-CB 4.25Å; I546-F590 HydrophobicContact CG1-CD2 4.17Å; I546-F590 HydrophobicContact CG2-CD2 3.96Å; Q549-F590 HydrophobicContact CB-CE2 3.98Å; V550-F590 HydrophobicContact CG2-CD2 4.4Å; V550-F590 HydrophobicContact CG2-CE2 4.11Å; I553-F590 HydrophobicContact CD1-CZ 4.02Å; F561-F590 HydrophobicContact CD1-CE1 4.07Å; F561-F590 HydrophobicContact CD1-CZ 4.25Å; F561-F590 AromaticContact CE1-CE1 3.81Å; F561-F590 HydrophobicContact CE1-CE1 3.81Å; F561-F590 AromaticContact CE1-CZ 3.82Å; F561-F590 HydrophobicContact CE1-CZ 3.82Å; F563-F590 HydrophobicContact CD1-CE1 4.06Å; F563-F590 AromaticContact CE1-CD1 3.99Å; F563-F590 HydrophobicContact CE1-CD1 3.99Å; F563-F590 AromaticContact CE1-CE1 3.86Å; F563-F590 HydrophobicContact CE1-CE1 3.86Å; F563-F590 HydrophobicContact CE2-CD1 4.29Å; F563-F590 HydrophobicContact CG-CE1 4.46Å; F563-F590 AromaticContact CZ-CD1 3.82Å; F563-F590 HydrophobicContact CZ-CD1 3.82Å; F563-F590 HydrophobicContact CZ-CE1 4.1Å; Y586-F590 WeakPolarHBondContact O-CB 3.5Å; Y586-F590 PolarHBondContact O-N 3.32Å; Y587-F590 PolarHBondContact O-N 3.33Å; F590-R592 VanDerWaalsContact C-N 3.32Å; F590-R592 PolarHBondContact O-N 3.16Å; F590-Q593 PolarHBondContact O-N 3.28Å; F590-L594 HydrophobicContact CD1-CD1 3.87Å; F590-L594 HydrophobicContact CE1-CD1 3.52Å; F590-L594 HydrophobicContact CE1-CG 4.26Å; F590-L594 HydrophobicContact CZ-CD1 4.09Å; F590-L594 HydrophobicContact CZ-CG 4.43Å; F590-L594 WeakPolarHBondContact O-CG 3.37Å; F590-L594 PolarHBondContact O-N 3.29Å
591	T	96.1	Very high	94.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.2	-38.1	176.9	51.8	0	0	0	0	112.6	F563 Y587 R588 V595 P601 V603 M645 V649	F563-T591 HydrophobicContact CE1-CG2 4.32Å; F563-T591 HydrophobicContact CZ-CG2 3.82Å; Y587-T591 WeakPolarHBondContact O-CB 3.48Å; Y587-T591 WeakPolarHBondContact O-CG2 3.43Å; Y587-T591 PolarHBondContact O-N 3.04Å; Y587-T591 PolarHBondContact O-OG1 3.28Å; R588-T591 PolarHBondContact O-OG1 3.25Å; R588-T591 VanDerWaalsContact O-OG1 3.07Å; T591-V595 WeakPolarHBondContact O-CG2 3.23Å; T591-V595 PolarHBondContact O-N 2.87Å; T591-P601 HydrophobicContact CG2-CB 4.1Å; T591-P601 HydrophobicContact CG2-CG 4.32Å; T591-V603 HydrophobicContact CG2-CG2 4.27Å; T591-M645 HydrophobicContact CG2-SD 4.42Å; T591-V649 HydrophobicContact CG2-CG2 3.71Å
592	R	95.3	Very high	94.7	Very high	124 Å²	124	37.5 Å²	37.5	47%	0.468	19%	0.193	S	C	.	.	H	α-helix	trans	-65.3	-43.9	173.9	179.4	177.5	172.2	165.8	1.7	112.3	R588 C589 F590 L594 V595 Q596	R588-R592 VanDerWaalsContact O-CB 3.29Å; R588-R592 WeakPolarHBondContact O-CB 3.34Å; R588-R592 PolarHBondContact O-N 3.38Å; R588-R592 VanDerWaalsContact O-N 3.09Å; C589-R592 PolarHBondContact O-N 3.32Å; F590-R592 VanDerWaalsContact C-N 3.32Å; F590-R592 PolarHBondContact O-N 3.16Å; R592-L594 VanDerWaalsContact C-N 3.34Å; R592-V595 PolarHBondContact O-N 3.18Å; R592-Q596 WeakPolarHBondContact O-CG 3.24Å; R592-Q596 PolarHBondContact O-N 3.37Å
593	Q	95.4	Very high	95.1	Very high	46 Å²	46	34.2 Å²	34.2	22%	0.215	17%	0.174	C	C	.	.	H	α-helix	trans	-64.9	-37.9	178.7	-71.1	-56.6	-66.9	0	0	111.7	C540 I546 V550 C589 F590 Q596 A597	C540-Q593 HydrophobicContact CB-CG 4.25Å; I546-Q593 HydrophobicContact CG2-CB 3.9Å; I546-Q593 HydrophobicContact CG2-CG 3.67Å; V550-Q593 HydrophobicContact CG2-CB 3.94Å; C589-Q593 WeakPolarHBondContact O-CG 3.43Å; C589-Q593 PolarHBondContact O-N 2.97Å; F590-Q593 PolarHBondContact O-N 3.28Å; Q593-Q596 PolarHBondContact O-N 2.75Å; Q593-A597 PolarHBondContact O-N 2.87Å
594	L	96.3	Very high	95.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.2	-48.8	173.4	-74.1	173.1	0	0	0	112	V550 I553 F561 F563 F590 R592 Q596 A597 N598 V599 P601	V550-L594 HydrophobicContact CG2-CD2 4Å; V550-L594 HydrophobicContact CG2-CG 4.26Å; I553-L594 HydrophobicContact CD1-CD2 3.88Å; I553-L594 HydrophobicContact CG2-CD2 4.31Å; F561-L594 HydrophobicContact CB-CD1 4.42Å; F561-L594 HydrophobicContact CB-CD2 4.42Å; F561-L594 HydrophobicContact CD1-CD1 3.87Å; F561-L594 HydrophobicContact CD1-CD2 4.45Å; F563-L594 HydrophobicContact CE1-CD1 4.25Å; F590-L594 HydrophobicContact CD1-CD1 3.87Å; F590-L594 HydrophobicContact CE1-CD1 3.52Å; F590-L594 HydrophobicContact CE1-CG 4.26Å; F590-L594 HydrophobicContact CZ-CD1 4.09Å; F590-L594 HydrophobicContact CZ-CG 4.43Å; F590-L594 WeakPolarHBondContact O-CG 3.37Å; F590-L594 PolarHBondContact O-N 3.29Å; R592-L594 VanDerWaalsContact C-N 3.34Å; L594-Q596 VanDerWaalsContact C-N 3.3Å; L594-Q596 PolarHBondContact O-N 3.15Å; L594-A597 CarbonylContact O-C 3.56Å; L594-A597 WeakPolarHBondContact O-CA 3.41Å; L594-A597 WeakPolarHBondContact O-CB 3.47Å; L594-A597 PolarHBondContact O-N 3.48Å; L594-N598 PolarHBondContact O-N 3.26Å; L594-V599 CarbonylContact C-O 3.42Å; L594-V599 HydrophobicContact CB-CB 4.4Å; L594-V599 HydrophobicContact CD2-CB 4.18Å; L594-V599 HydrophobicContact CD2-CG1 4.11Å; L594-V599 PolarHBondContact O-N 2.82Å; L594-V599 VanDerWaalsContact O-O 3.06Å; L594-P601 HydrophobicContact CD1-CB 3.96Å
595	V	96.4	Very high	95.6	Very high	60 Å²	60	33.5 Å²	33.5	36%	0.364	17%	0.17	S	C	.	.	H	α-helix	trans	-61.7	-39.5	177.4	174.3	0	0	0	0	111.3	T591 R592 A597 N598 V599 P601 H648	T591-V595 WeakPolarHBondContact O-CG2 3.23Å; T591-V595 PolarHBondContact O-N 2.87Å; R592-V595 PolarHBondContact O-N 3.18Å; V595-A597 PolarHBondContact O-N 3.33Å; V595-N598 PolarHBondContact O-N 3.34Å; V595-V599 PolarHBondContact N-O 3.27Å; V595-P601 HydrophobicContact CG2-CG 4.15Å; V595-H648 HydrophobicContact CG2-CB 4.05Å
596	Q	94.9	Very high	95.8	Very high	112 Å²	112	33 Å²	33	52%	0.523	16%	0.161	S	C	.	.	H	α-helix	trans	-64	-26.9	174.5	-73.1	-179.6	-17.4	0	0	113	R592 Q593 L594 N598	R592-Q596 WeakPolarHBondContact O-CG 3.24Å; R592-Q596 PolarHBondContact O-N 3.37Å; Q593-Q596 PolarHBondContact O-N 2.75Å; L594-Q596 VanDerWaalsContact C-N 3.3Å; L594-Q596 PolarHBondContact O-N 3.15Å; Q596-N598 VanDerWaalsContact C-N 3.28Å
597	A	94.4	Very high	95.6	Very high	22 Å²	22	33.7 Å²	33.7	18%	0.182	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	10.2	173	0	0	0	0	0	113.6	V550 Q593 L594 V595 V599	V550-A597 HydrophobicContact CG1-CB 3.63Å; Q593-A597 PolarHBondContact O-N 2.87Å; L594-A597 CarbonylContact O-C 3.56Å; L594-A597 WeakPolarHBondContact O-CA 3.41Å; L594-A597 WeakPolarHBondContact O-CB 3.47Å; L594-A597 PolarHBondContact O-N 3.48Å; V595-A597 PolarHBondContact O-N 3.33Å; A597-V599 PolarHBondContact O-N 3.12Å
598	N	95.3	Very high	95	Very high	144 Å²	144	35.1 Å²	35.1	77%	0.77	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	29.5	-174	-60.8	-38.3	0	0	0	114.3	L594 V595 Q596	L594-N598 PolarHBondContact O-N 3.26Å; V595-N598 PolarHBondContact O-N 3.34Å; Q596-N598 VanDerWaalsContact C-N 3.28Å
599	V	97.1	Very high	93.9	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.024	17%	0.168	C	C	.	.			trans	-110.6	120	174.3	-177.9	0	0	0	0	108.9	I553 F561 L594 V595 A597 P601	I553-V599 HydrophobicContact CG2-CG1 4.05Å; I553-V599 HydrophobicContact CG2-CG2 4.35Å; F561-V599 HydrophobicContact CB-CG1 3.68Å; L594-V599 CarbonylContact C-O 3.42Å; L594-V599 HydrophobicContact CB-CB 4.4Å; L594-V599 HydrophobicContact CD2-CB 4.18Å; L594-V599 HydrophobicContact CD2-CG1 4.11Å; L594-V599 PolarHBondContact O-N 2.82Å; L594-V599 VanDerWaalsContact O-O 3.06Å; V595-V599 PolarHBondContact N-O 3.27Å; A597-V599 PolarHBondContact O-N 3.12Å; V599-P601 WeakPolarHBondContact O-CD 3.38Å
600	T	97.8	Very high	92.6	Very high	46 Å²	46	38.9 Å²	38.9	28%	0.282	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	119.1	178.5	-58.8	0	0	0	0	109.9	N559 H560 F561 V602	N559-T600 PolarHBondContact O-N 2.89Å; H560-T600 VanDerWaalsContact CA-O 3.28Å; H560-T600 WeakPolarHBondContact CA-O 3.25Å; F561-T600 PolarHBondContact N-O 2.68Å; T600-V602 PolarHBondContact O-N 2.74Å
601	P	97.9	Very high	90.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	130.5	175.8	27.9	-31.5	0	0	0	110.7	F563 T591 L594 V595 V599 V603 V649	F563-P601 HydrophobicContact CE1-CB 4.25Å; T591-P601 HydrophobicContact CG2-CB 4.1Å; T591-P601 HydrophobicContact CG2-CG 4.32Å; L594-P601 HydrophobicContact CD1-CB 3.96Å; V595-P601 HydrophobicContact CG2-CG 4.15Å; V599-P601 WeakPolarHBondContact O-CD 3.38Å; P601-V603 HydrophobicContact CB-CG2 4.35Å; P601-V649 HydrophobicContact CB-CG2 4.38Å; P601-V649 HydrophobicContact CG-CG2 4.03Å
602	V	98.2	Very high	89.1	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	119.5	166.9	-171.5	0	0	0	0	107.6	H560 F561 H562 F563 T600 M651 I653 M837 F879	H560-V602 HydrophobicContact CB-CG2 4.31Å; F561-V602 PolarHBondContact O-N 3.11Å; H562-V602 WeakPolarHBondContact CA-O 3.45Å; H562-V602 HydrophobicContact CB-CB 4.1Å; H562-V602 PolarHBondContact CD2-O 3.33Å; F563-V602 PolarHBondContact N-O 2.96Å; F563-V602 VanDerWaalsContact N-O 3.1Å; T600-V602 PolarHBondContact O-N 2.74Å; V602-M651 WeakPolarHBondContact CA-O 3.48Å; V602-M651 HydrophobicContact CB-CB 4.37Å; V602-M651 HydrophobicContact CB-SD 4.49Å; V602-M651 HydrophobicContact CG1-CB 3.97Å; V602-M651 HydrophobicContact CG1-CG 3.73Å; V602-M651 HydrophobicContact CG1-SD 3.93Å; V602-M651 HydrophobicContact CG2-CB 4.03Å; V602-M651 HydrophobicContact CG2-CG 4.26Å; V602-M651 HydrophobicContact CG2-SD 3.75Å; V602-I653 HydrophobicContact CG1-CG1 4.23Å; V602-M837 HydrophobicContact CB-CE 4.36Å; V602-M837 HydrophobicContact CG1-CE 3.6Å; V602-F879 HydrophobicContact CG2-CE1 3.96Å; V602-F879 HydrophobicContact CG2-CZ 3.89Å
603	V	98.1	Very high	87.7	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123.2	-168.9	-178.4	0	0	0	0	111.1	F563 L565 T591 P601 V649 M651 W652 I653	F563-V603 HydrophobicContact CE1-CG2 3.78Å; F563-V603 HydrophobicContact CE2-CG2 4.45Å; F563-V603 HydrophobicContact CZ-CG2 3.69Å; L565-V603 HydrophobicContact CD1-CG1 3.73Å; L565-V603 HydrophobicContact CD2-CG1 3.87Å; L565-V603 HydrophobicContact CG-CG1 3.54Å; T591-V603 HydrophobicContact CG2-CG2 4.27Å; P601-V603 HydrophobicContact CB-CG2 4.35Å; V603-V649 HydrophobicContact CB-CG1 3.97Å; V603-V649 HydrophobicContact CG2-CB 4.34Å; V603-V649 HydrophobicContact CG2-CG1 3.7Å; V603-V649 HydrophobicContact CG2-CG2 3.62Å; V603-M651 PolarHBondContact N-O 3.41Å; V603-M651 VanDerWaalsContact N-O 3.09Å; V603-W652 HydrophobicContact CB-CE3 3.86Å; V603-W652 HydrophobicContact CB-CZ3 3.84Å; V603-W652 HydrophobicContact CG1-CE3 4.1Å; V603-W652 HydrophobicContact CG1-CZ3 3.74Å; V603-W652 WeakPolarHBondContact O-CA 3.46Å; V603-I653 PolarHBondContact O-N 3.48Å
604	T	97.7	Very high	86.8	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	125.5	170	-76.6	0	0	0	0	110.3	H562 F563 S564 L565 W606 H607 I653 N656	H562-T604 PolarHBondContact NE2-OG1 2.66Å; F563-T604 PolarHBondContact O-N 3.39Å; S564-T604 WeakPolarHBondContact CA-O 3.15Å; S564-T604 WeakPolarHBondContact OG-CB 3.22Å; L565-T604 PolarHBondContact N-O 3.08Å; T604-W606 WeakPolarHBondContact CG2-O 3.34Å; T604-H607 HydrophobicContact CG2-CB 4.12Å; T604-I653 CarbonylContact C-O 3.54Å; T604-I653 VanDerWaalsContact CA-O 3.27Å; T604-I653 WeakPolarHBondContact CA-O 3.45Å; T604-I653 VanDerWaalsContact OG1-CB 3.32Å; T604-I653 WeakPolarHBondContact OG1-CB 3.5Å; T604-I653 WeakPolarHBondContact OG1-CG2 3.22Å; T604-N656 HydrophobicContact CG2-CB 3.51Å
605	L	97.1	Very high	86.5	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	-42.6	178.9	-63.2	-178.9	0	0	0	112.2	L565 F634 Y637 A638 C641 Y642 W652 I653 T654	L565-L605 HydrophobicContact CD1-CD2 4.08Å; L605-F634 HydrophobicContact CB-CE2 4.2Å; L605-F634 HydrophobicContact CB-CZ 4.04Å; L605-F634 HydrophobicContact CD1-CZ 4.23Å; L605-Y637 HydrophobicContact CB-CE1 4.1Å; L605-Y637 WeakPolarHBondContact O-CE1 3.26Å; L605-Y637 PolarHBondContact O-OH 3.45Å; L605-A638 HydrophobicContact CD1-CB 3.55Å; L605-C641 HydrophobicContact CD2-CB 3.62Å; L605-Y642 HydrophobicContact CD1-CE1 4.05Å; L605-W652 HydrophobicContact CD2-CE3 3.7Å; L605-W652 HydrophobicContact CD2-CZ3 3.57Å; L605-W652 HydrophobicContact CG-CE3 4.27Å; L605-I653 PolarHBondContact N-O 2.98Å; L605-T654 HydrophobicContact CD1-CG2 4.5Å
606	W	94.3	Very high	86.2	Confident	9 Å²	9	50.8 Å²	50.8	3%	0.034	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	132.7	176.7	-180	90.6	0	0	0	111.1	W567 T604 H608 W625 F634 T654 L655 N656 P658 M671	W567-W606 AromaticContact CE3-CD1 3.96Å; T604-W606 WeakPolarHBondContact CG2-O 3.34Å; W606-H608 HydrophobicContact CH2-CB 3.62Å; W606-H608 AromaticContact CH2-CG 3.97Å; W606-H608 AromaticContact CH2-ND1 3.53Å; W606-H608 HydrophobicContact CZ2-CB 4.47Å; W606-H608 HydrophobicContact CZ3-CB 3.7Å; W606-W625 HydrophobicContact CD2-CZ2 4.07Å; W606-W625 AromaticContact CE2-CZ2 3.94Å; W606-W625 AromaticContact CE2-NE1 3.87Å; W606-W625 HydrophobicContact CE3-CZ2 4.44Å; W606-W625 HydrophobicContact CG-CZ2 4.46Å; W606-W625 AromaticContact CH2-NE1 3.76Å; W606-W625 HydrophobicContact CZ2-CZ2 4.2Å; W606-W625 AromaticContact CZ2-NE1 3.34Å; W606-W625 VanDerWaalsContact CZ2-NE1 3.34Å; W606-F634 HydrophobicContact CB-CE2 3.73Å; W606-F634 HydrophobicContact CB-CZ 4.41Å; W606-T654 PolarHBondContact N-O 3.46Å; W606-T654 VanDerWaalsContact N-O 3.12Å; W606-L655 HydrophobicContact CB-CD2 4.24Å; W606-L655 HydrophobicContact CD2-CD2 4.22Å; W606-L655 HydrophobicContact CE3-CB 4.41Å; W606-L655 HydrophobicContact CE3-CD2 3.61Å; W606-L655 HydrophobicContact CZ3-CD2 4.31Å; W606-L655 WeakPolarHBondContact O-CA 3.34Å; W606-N656 PolarHBondContact O-N 2.84Å; W606-P658 HydrophobicContact CZ3-CB 4.4Å; W606-M671 HydrophobicContact CH2-CE 3.96Å
607	H	88.4	Confident	85.9	Confident	15 Å²	15	50 Å²	50	7%	0.069	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	130.3	178.8	176.3	46.1	0	0	0	110.2	N496 T604 T609 N614 N656	N496-H607 PolarHBondContact OD1-NE2 3.05Å; T604-H607 HydrophobicContact CG2-CB 4.12Å; H607-T609 PolarHBondContact O-N 2.84Å; H607-N614 PolarHBondContact O-ND2 3.32Å; H607-N656 HydrophobicContact CB-CB 4.36Å; H607-N656 PolarHBondContact CE1-ND2 2.99Å; H607-N656 PolarHBondContact ND1-ND2 2.75Å; H607-N656 PolarHBondContact ND1-O 3.17Å
608	H	82	Confident	85.7	Confident	39 Å²	39	52.1 Å²	52.1	18%	0.181	26%	0.259	C	S	.	.			trans	-73.9	112.4	175.5	-174.3	71.1	0	0	0	110.6	W606 N656	W606-H608 HydrophobicContact CH2-CB 3.62Å; W606-H608 AromaticContact CH2-CG 3.97Å; W606-H608 AromaticContact CH2-ND1 3.53Å; W606-H608 HydrophobicContact CZ2-CB 4.47Å; W606-H608 HydrophobicContact CZ3-CB 3.7Å; H608-N656 PolarHBondContact N-O 3.23Å
609	T	71.5	Confident	85.4	Confident	49 Å²	49	46.3 Å²	46.3	30%	0.301	23%	0.228	S	C	.	.			trans	-113.1	100.5	173	53.5	0	0	0	0	108.7	H607 Q611 R612 N614	H607-T609 PolarHBondContact O-N 2.84Å; T609-Q611 PolarHBondContact O-N 2.9Å; T609-R612 PolarHBondContact O-N 2.57Å; T609-R612 PolarHBondContact OG1-O 3.17Å; T609-N614 PolarHBondContact OG1-ND2 3.29Å
610	R	65.4	Low	84.9	Confident	146 Å²	146	49.4 Å²	49.4	55%	0.551	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-39.9	-24.5	-176.3	-65.6	179	177.7	-168.9	-9.5	116.8	D660	R610-D660 IonicContact CZ-OD2 2.95Å; R610-D660 IonicContact NE-OD1 3.25Å; R610-D660 IonicContact NE-OD2 3.84Å; R610-D660 PolarHBondContact NE-OD2 3.31Å; R610-D660 IonicContact NH2-OD2 2.69Å; R610-D660 PolarHBondContact NH2-OD2 3.48Å
611	Q	57.1	Low	84.4	Confident	186 Å²	186	52.2 Å²	52.2	87%	0.869	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-17.1	-173.8	-64.6	-176.7	-8.7	0	0	115.3	T609	T609-Q611 PolarHBondContact O-N 2.9Å
612	R	59.8	Low	84	Confident	202 Å²	202	54 Å²	54	76%	0.762	28%	0.277	S	S	*	.	S	Bend	trans	-144.2	130.9	-177.8	-67.5	-173.4	-178.2	-178	0.4	110	T609 N614	T609-R612 PolarHBondContact O-N 2.57Å; T609-R612 PolarHBondContact OG1-O 3.17Å; R612-N614 PolarHBondContact O-N 3.23Å
613	S	65.9	Low	83.5	Confident	55 Å²	55	59.9 Å²	59.9	39%	0.385	31%	0.308	S	S	.	.			trans	-66.3	119.4	169	-172.4	0	0	0	0	109.3	L615 D620	S613-L615 PolarHBondContact O-N 2.64Å; S613-L615 WeakPolarHBondContact OG-CB 3.1Å; S613-L615 PolarHBondContact OG-N 2.85Å; S613-D620 WeakPolarHBondContact CB-OD1 3.22Å; S613-D620 VanDerWaalsContact CB-OD2 3.25Å; S613-D620 WeakPolarHBondContact CB-OD2 2.91Å; S613-D620 PolarHBondContact OG-OD1 2.76Å
614	N	77	Confident	83.2	Confident	31 Å²	31	60.1 Å²	60.1	17%	0.166	31%	0.311	C	S	.	.			trans	-86.6	12.2	172.1	-75.1	-25.9	0	0	0	112	S568 H607 T609 R612	S568-N614 PolarHBondContact N-O 2.97Å; H607-N614 PolarHBondContact O-ND2 3.32Å; T609-N614 PolarHBondContact OG1-ND2 3.29Å; R612-N614 PolarHBondContact O-N 3.23Å
615	L	89.2	Confident	82.9	Confident	6 Å²	6	60.7 Å²	60.7	3%	0.031	31%	0.313	C	S	.	.	S	Bend	trans	-77.8	144.8	171.9	-63.4	178.5	0	0	0	110.2	W567 S568 S613 T617 D620 W625 T630	W567-L615 HydrophobicContact CE3-CD2 3.67Å; W567-L615 HydrophobicContact CH2-CD2 4.2Å; W567-L615 HydrophobicContact CZ3-CD2 3.31Å; S568-L615 WeakPolarHBondContact CB-O 3.45Å; S613-L615 PolarHBondContact O-N 2.64Å; S613-L615 WeakPolarHBondContact OG-CB 3.1Å; S613-L615 PolarHBondContact OG-N 2.85Å; L615-T617 PolarHBondContact O-N 3.34Å; L615-D620 HydrophobicContact CB-CB 4.07Å; L615-W625 HydrophobicContact CD1-CG 4.41Å; L615-W625 HydrophobicContact CD2-CZ2 4.01Å; L615-T630 HydrophobicContact CD2-CG2 4.42Å
616	P	91	Very high	82.7	Confident	0 Å²	0	65 Å²	65	0%	0	34%	0.335	C	S	.	.			trans	-51.6	137.7	166.9	-27	34.6	0	0	0	111.5	W567 V571 P618 L619 D620	W567-P616 HydrophobicContact CD2-CG 4.05Å; W567-P616 HydrophobicContact CG-CG 4.04Å; W567-P616 HydrophobicContact CZ2-CG 4.37Å; V571-P616 WeakPolarHBondContact O-CB 3.5Å; V571-P616 VanDerWaalsContact O-CG 3.27Å; V571-P616 WeakPolarHBondContact O-CG 3.25Å; P616-P618 VanDerWaalsContact C-CD 3.42Å; P616-P618 VanDerWaalsContact C-N 3.3Å; P616-P618 VanDerWaalsContact O-N 3.11Å; P616-L619 HydrophobicContact CB-CD1 4.46Å; P616-L619 HydrophobicContact CG-CD1 4.2Å; P616-L619 PolarHBondContact O-N 2.95Å; P616-D620 PolarHBondContact O-N 3.42Å
617	T	88.4	Confident	82.6	Confident	97 Å²	97	66.2 Å²	66.2	60%	0.595	34%	0.343	S	S	*	.	H	α-helix	trans	-48.8	-42.6	-173.8	-49.9	0	0	0	0	113.8	L615 L619 D620 T621	L615-T617 PolarHBondContact O-N 3.34Å; T617-L619 VanDerWaalsContact C-N 3.32Å; T617-L619 PolarHBondContact O-N 3.07Å; T617-D620 PolarHBondContact O-N 2.83Å; T617-T621 HydrophobicContact CG2-CG2 4.21Å; T617-T621 WeakPolarHBondContact O-CG2 3.46Å; T617-T621 PolarHBondContact O-N 2.82Å; T617-T621 PolarHBondContact O-OG1 2.77Å
618	P	90.1	Very high	82.6	Confident	65 Å²	65	70 Å²	70	42%	0.422	37%	0.37	S	S	.	.	H	α-helix	trans	-66.7	-28.7	179	-24.6	38.3	0	0	0	114.6	P572 T573 P616 A622	P572-P618 WeakPolarHBondContact O-CD 3.34Å; T573-P618 WeakPolarHBondContact O-CG 3.42Å; P616-P618 VanDerWaalsContact C-CD 3.42Å; P616-P618 VanDerWaalsContact C-N 3.3Å; P616-P618 VanDerWaalsContact O-N 3.11Å; P618-A622 WeakPolarHBondContact O-CB 3.32Å; P618-A622 PolarHBondContact O-N 3.21Å
619	L	89.2	Confident	83.2	Confident	23 Å²	23	75.3 Å²	75.3	12%	0.12	39%	0.393	C	S	.	.	H	α-helix	trans	-80	-40	175	-65.8	176.5	0	0	0	110.6	W567 P616 T617 A622 G624 A633	W567-L619 HydrophobicContact CH2-CD1 3.81Å; W567-L619 HydrophobicContact CZ2-CD1 3.65Å; P616-L619 HydrophobicContact CB-CD1 4.46Å; P616-L619 HydrophobicContact CG-CD1 4.2Å; P616-L619 PolarHBondContact O-N 2.95Å; T617-L619 VanDerWaalsContact C-N 3.32Å; T617-L619 PolarHBondContact O-N 3.07Å; L619-A622 CarbonylContact O-C 3.58Å; L619-A622 PolarHBondContact O-N 3.38Å; L619-G624 VanDerWaalsContact O-CA 3.28Å; L619-G624 WeakPolarHBondContact O-CA 3.12Å; L619-G624 PolarHBondContact O-N 2.95Å; L619-A633 HydrophobicContact CD1-CB 3.88Å; L619-A633 HydrophobicContact CD2-CB 4.32Å
620	D	86.6	Confident	84.3	Confident	69 Å²	69	73 Å²	73	37%	0.369	38%	0.379	S	S	.	.	H	α-helix	trans	-62.4	-46.8	179.4	-160.8	42.8	0	0	0	111.9	S613 L615 P616 T617 A622 G624	S613-D620 WeakPolarHBondContact CB-OD1 3.22Å; S613-D620 VanDerWaalsContact CB-OD2 3.25Å; S613-D620 WeakPolarHBondContact CB-OD2 2.91Å; S613-D620 PolarHBondContact OG-OD1 2.76Å; L615-D620 HydrophobicContact CB-CB 4.07Å; P616-D620 PolarHBondContact O-N 3.42Å; T617-D620 PolarHBondContact O-N 2.83Å; D620-A622 PolarHBondContact O-N 3.09Å; D620-G624 PolarHBondContact O-N 2.77Å
621	T	88.3	Confident	85.8	Confident	105 Å²	105	66.2 Å²	66.2	64%	0.644	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-20.9	176.5	58.6	0	0	0	0	113.3	T617 N623	T617-T621 HydrophobicContact CG2-CG2 4.21Å; T617-T621 WeakPolarHBondContact O-CG2 3.46Å; T617-T621 PolarHBondContact O-N 2.82Å; T617-T621 PolarHBondContact O-OG1 2.77Å; T621-N623 PolarHBondContact O-N 3.35Å
622	A	88.9	Confident	87.6	Confident	38 Å²	38	64.2 Å²	64.2	31%	0.314	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	41.4	176.6	0	0	0	0	0	112.3	P618 L619 D620 G624 N627	P618-A622 WeakPolarHBondContact O-CB 3.32Å; P618-A622 PolarHBondContact O-N 3.21Å; L619-A622 CarbonylContact O-C 3.58Å; L619-A622 PolarHBondContact O-N 3.38Å; D620-A622 PolarHBondContact O-N 3.09Å; A622-G624 VanDerWaalsContact C-N 3.34Å; A622-G624 PolarHBondContact O-N 3.35Å; A622-N627 VanDerWaalsContact O-CB 3.25Å; A622-N627 WeakPolarHBondContact O-CB 3.19Å; A622-N627 PolarHBondContact O-ND2 2.83Å
623	N	87.6	Confident	89.4	Confident	122 Å²	122	55.5 Å²	55.5	65%	0.652	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	24.1	-176	-62.6	-18.9	0	0	0	115.5	T621 W625 L626	T621-N623 PolarHBondContact O-N 3.35Å; N623-W625 PolarHBondContact O-N 3.42Å; N623-L626 HydrophobicContact CB-CB 4.27Å; N623-L626 WeakPolarHBondContact O-CB 3.44Å; N623-L626 PolarHBondContact O-N 2.92Å
624	G	91.1	Very high	90.9	Very high	6 Å²	6	52.9 Å²	52.9	6%	0.062	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	49.2	-122.9	169	0	0	0	0	0	114.5	L619 D620 A622 L626 N627 T630	L619-G624 VanDerWaalsContact O-CA 3.28Å; L619-G624 WeakPolarHBondContact O-CA 3.12Å; L619-G624 PolarHBondContact O-N 2.95Å; D620-G624 PolarHBondContact O-N 2.77Å; A622-G624 VanDerWaalsContact C-N 3.34Å; A622-G624 PolarHBondContact O-N 3.35Å; G624-L626 VanDerWaalsContact C-N 3.32Å; G624-L626 PolarHBondContact O-N 2.96Å; G624-N627 WeakPolarHBondContact O-CB 3.21Å; G624-N627 PolarHBondContact O-N 3.08Å; G624-T630 WeakPolarHBondContact O-CB 3.33Å; G624-T630 PolarHBondContact O-OG1 3.06Å
625	W	92.3	Very high	91.9	Very high	12 Å²	12	51.5 Å²	51.5	5%	0.045	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-72.3	-19.1	179.3	-75.7	111.9	0	0	0	114.3	W567 W606 L615 N623 N627 T630 F634 L655 E667 Q670 M671 A674	W567-W625 HydrophobicContact CZ3-CH2 4.4Å; W606-W625 HydrophobicContact CD2-CZ2 4.07Å; W606-W625 AromaticContact CE2-CZ2 3.94Å; W606-W625 AromaticContact CE2-NE1 3.87Å; W606-W625 HydrophobicContact CE3-CZ2 4.44Å; W606-W625 HydrophobicContact CG-CZ2 4.46Å; W606-W625 AromaticContact CH2-NE1 3.76Å; W606-W625 HydrophobicContact CZ2-CZ2 4.2Å; W606-W625 AromaticContact CZ2-NE1 3.34Å; W606-W625 VanDerWaalsContact CZ2-NE1 3.34Å; L615-W625 HydrophobicContact CD1-CG 4.41Å; L615-W625 HydrophobicContact CD2-CZ2 4.01Å; N623-W625 PolarHBondContact O-N 3.42Å; W625-N627 PolarHBondContact O-N 3.38Å; W625-T630 HydrophobicContact CD2-CG2 4.16Å; W625-T630 HydrophobicContact CE3-CG2 3.66Å; W625-T630 HydrophobicContact CH2-CG2 4.45Å; W625-T630 HydrophobicContact CZ3-CG2 3.81Å; W625-F634 HydrophobicContact CH2-CB 4.41Å; W625-F634 HydrophobicContact CH2-CD2 4.29Å; W625-F634 HydrophobicContact CH2-CG 4.26Å; W625-L655 HydrophobicContact CH2-CD2 4.28Å; W625-L655 HydrophobicContact CZ2-CD2 4.38Å; W625-E667 HydrophobicContact CB-CB 4.03Å; W625-E667 HydrophobicContact CB-CG 3.93Å; W625-Q670 WeakPolarHBondContact O-CB 3.44Å; W625-Q670 WeakPolarHBondContact O-CG 3.17Å; W625-M671 HydrophobicContact CB-CE 4.34Å; W625-M671 HydrophobicContact CD2-CE 4.04Å; W625-M671 HydrophobicContact CD2-CG 3.76Å; W625-M671 HydrophobicContact CE3-CG 3.88Å; W625-M671 HydrophobicContact CG-CE 3.66Å; W625-M671 HydrophobicContact CG-CG 4.18Å; W625-M671 HydrophobicContact CZ2-CG 4.39Å; W625-M671 HydrophobicContact CZ3-CG 4.27Å; W625-A674 HydrophobicContact CH2-CB 4.06Å; W625-A674 HydrophobicContact CZ3-CB 3.6Å
626	L	92.1	Very high	92.3	Very high	89 Å²	89	53.8 Å²	53.8	47%	0.466	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-71.9	-15.7	175	-66.4	171.1	0	0	0	112.5	N623 G624 Q666 E667	N623-L626 HydrophobicContact CB-CB 4.27Å; N623-L626 WeakPolarHBondContact O-CB 3.44Å; N623-L626 PolarHBondContact O-N 2.92Å; G624-L626 VanDerWaalsContact C-N 3.32Å; G624-L626 PolarHBondContact O-N 2.96Å; L626-Q666 HydrophobicContact CD2-CB 3.6Å; L626-E667 HydrophobicContact CD2-CG 3.64Å; L626-E667 HydrophobicContact CG-CG 3.74Å
627	N	92.1	Very high	92.6	Very high	36 Å²	36	53.9 Å²	53.9	19%	0.193	30%	0.3	C	S	.	.	S	Bend	trans	-76	125.4	177.5	-170.4	-29.6	0	0	0	111.6	A622 G624 W625 K629 T630 P631	A622-N627 VanDerWaalsContact O-CB 3.25Å; A622-N627 WeakPolarHBondContact O-CB 3.19Å; A622-N627 PolarHBondContact O-ND2 2.83Å; G624-N627 WeakPolarHBondContact O-CB 3.21Å; G624-N627 PolarHBondContact O-N 3.08Å; W625-N627 PolarHBondContact O-N 3.38Å; N627-K629 PolarHBondContact O-N 3.06Å; N627-K629 VanDerWaalsContact O-N 3.08Å; N627-K629 WeakPolarHBondContact OD1-CB 3.35Å; N627-K629 PolarHBondContact OD1-N 3.36Å; N627-T630 WeakPolarHBondContact O-CB 3.39Å; N627-T630 PolarHBondContact O-N 3.4Å; N627-T630 PolarHBondContact O-OG1 3.25Å; N627-P631 WeakPolarHBondContact O-CD 3.25Å
628	S	89.4	Confident	93.1	Very high	93 Å²	93	49.2 Å²	49.2	65%	0.65	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.3	179.6	60	0	0	0	0	114.5
629	K	93.2	Very high	93.4	Very high	152 Å²	152	49.6 Å²	49.6	66%	0.661	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-23	175.5	-61.9	-176.7	-178.9	178.9	0	113.2	N627 K632 A633	N627-K629 PolarHBondContact O-N 3.06Å; N627-K629 VanDerWaalsContact O-N 3.08Å; N627-K629 WeakPolarHBondContact OD1-CB 3.35Å; N627-K629 PolarHBondContact OD1-N 3.36Å; K629-K632 PolarHBondContact O-N 3.13Å; K629-K632 VanDerWaalsContact O-N 3.16Å; K629-A633 PolarHBondContact O-N 2.66Å
630	T	95.1	Very high	93.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-59.6	-41.9	-176	-60.2	0	0	0	0	113.1	W567 L615 G624 W625 N627 K632 A633 F634	W567-T630 HydrophobicContact CH2-CG2 4.39Å; L615-T630 HydrophobicContact CD2-CG2 4.42Å; G624-T630 WeakPolarHBondContact O-CB 3.33Å; G624-T630 PolarHBondContact O-OG1 3.06Å; W625-T630 HydrophobicContact CD2-CG2 4.16Å; W625-T630 HydrophobicContact CE3-CG2 3.66Å; W625-T630 HydrophobicContact CH2-CG2 4.45Å; W625-T630 HydrophobicContact CZ3-CG2 3.81Å; N627-T630 WeakPolarHBondContact O-CB 3.39Å; N627-T630 PolarHBondContact O-N 3.4Å; N627-T630 PolarHBondContact O-OG1 3.25Å; T630-K632 VanDerWaalsContact C-N 3.28Å; T630-K632 PolarHBondContact O-N 2.8Å; T630-A633 PolarHBondContact O-N 2.71Å; T630-F634 WeakPolarHBondContact O-CB 3.49Å; T630-F634 PolarHBondContact O-N 2.92Å
631	P	96.4	Very high	94.4	Very high	4 Å²	4	45.6 Å²	45.6	3%	0.026	24%	0.244	C	C	.	.	H	α-helix	trans	-58.2	-37.9	175.7	-28.2	36.3	0	0	0	114.2	N627 A635 Q670 L673 A674 L677	N627-P631 WeakPolarHBondContact O-CD 3.25Å; P631-A635 PolarHBondContact O-N 3.05Å; P631-Q670 HydrophobicContact CG-CB 4.05Å; P631-Q670 WeakPolarHBondContact CG-O 3.49Å; P631-Q670 VanDerWaalsContact CG-OE1 3.26Å; P631-L673 HydrophobicContact CB-CB 4.24Å; P631-L673 HydrophobicContact CG-CB 4.41Å; P631-A674 HydrophobicContact CB-CB 3.86Å; P631-A674 HydrophobicContact CG-CB 4.42Å; P631-L677 HydrophobicContact CB-CD1 4.05Å
632	K	96.4	Very high	94.9	Very high	144 Å²	144	40.6 Å²	40.6	63%	0.626	21%	0.213	S	C	*	.	H	α-helix	trans	-72.4	-44	178.6	-172.5	164.9	-178.8	173.7	0	111.3	K629 T630 F634 A635 D636	K629-K632 PolarHBondContact O-N 3.13Å; K629-K632 VanDerWaalsContact O-N 3.16Å; T630-K632 VanDerWaalsContact C-N 3.28Å; T630-K632 PolarHBondContact O-N 2.8Å; K632-F634 VanDerWaalsContact C-N 3.26Å; K632-F634 PolarHBondContact O-N 2.86Å; K632-A635 PolarHBondContact O-N 2.93Å; K632-A635 VanDerWaalsContact O-N 3.13Å; K632-D636 PolarHBondContact O-N 2.95Å
633	A	96.3	Very high	95.2	Very high	18 Å²	18	46.2 Å²	46.2	15%	0.149	23%	0.226	C	C	.	.	H	α-helix	trans	-59.3	-38.9	174.1	0	0	0	0	0	111.9	W567 L619 K629 T630 D636 Y637	W567-A633 HydrophobicContact CZ2-CB 4.32Å; L619-A633 HydrophobicContact CD1-CB 3.88Å; L619-A633 HydrophobicContact CD2-CB 4.32Å; K629-A633 PolarHBondContact O-N 2.66Å; T630-A633 PolarHBondContact O-N 2.71Å; A633-D636 PolarHBondContact O-N 2.98Å; A633-Y637 WeakPolarHBondContact O-CB 3.43Å; A633-Y637 PolarHBondContact O-N 2.86Å
634	F	97.4	Very high	95.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.6	-43.4	174	179.8	-102.1	0	0	0	112.2	W567 L605 W606 W625 T630 K632 D636 Y637 A638 T654 L655 A674 A678	W567-F634 AromaticContact CE3-CD2 3.91Å; W567-F634 HydrophobicContact CE3-CD2 3.91Å; W567-F634 HydrophobicContact CH2-CB 3.62Å; W567-F634 HydrophobicContact CH2-CD2 4Å; W567-F634 HydrophobicContact CH2-CG 4.33Å; W567-F634 HydrophobicContact CZ2-CB 4.32Å; W567-F634 HydrophobicContact CZ3-CB 3.99Å; W567-F634 AromaticContact CZ3-CD2 3.6Å; W567-F634 HydrophobicContact CZ3-CD2 3.6Å; W567-F634 HydrophobicContact CZ3-CG 4.27Å; L605-F634 HydrophobicContact CB-CE2 4.2Å; L605-F634 HydrophobicContact CB-CZ 4.04Å; L605-F634 HydrophobicContact CD1-CZ 4.23Å; W606-F634 HydrophobicContact CB-CE2 3.73Å; W606-F634 HydrophobicContact CB-CZ 4.41Å; W625-F634 HydrophobicContact CH2-CB 4.41Å; W625-F634 HydrophobicContact CH2-CD2 4.29Å; W625-F634 HydrophobicContact CH2-CG 4.26Å; T630-F634 WeakPolarHBondContact O-CB 3.49Å; T630-F634 PolarHBondContact O-N 2.92Å; K632-F634 VanDerWaalsContact C-N 3.26Å; K632-F634 PolarHBondContact O-N 2.86Å; F634-D636 VanDerWaalsContact C-N 3.34Å; F634-D636 PolarHBondContact O-N 2.83Å; F634-Y637 HydrophobicContact CD2-CD1 4.08Å; F634-Y637 HydrophobicContact CE2-CD1 4.14Å; F634-Y637 HydrophobicContact CE2-CE1 4.32Å; F634-Y637 WeakPolarHBondContact O-CB 3.44Å; F634-Y637 PolarHBondContact O-N 2.88Å; F634-A638 WeakPolarHBondContact O-CB 3.38Å; F634-A638 PolarHBondContact O-N 3.02Å; F634-T654 WeakPolarHBondContact CZ-O 3.48Å; F634-L655 HydrophobicContact CE1-CD2 4.33Å; F634-L655 HydrophobicContact CE2-CD2 4.31Å; F634-L655 HydrophobicContact CZ-CD2 3.93Å; F634-A674 HydrophobicContact CB-CB 4.2Å; F634-A674 HydrophobicContact CD1-CB 3.71Å; F634-A674 HydrophobicContact CE1-CB 4.48Å; F634-A674 HydrophobicContact CG-CB 4.18Å; F634-A678 HydrophobicContact CD1-CB 4.11Å; F634-A678 HydrophobicContact CE1-CB 3.74Å
635	A	97.9	Very high	95.9	Very high	2 Å²	2	42.4 Å²	42.4	2%	0.017	20%	0.203	C	C	.	.	H	α-helix	trans	-63.3	-38.8	176.5	0	0	0	0	0	112.3	P631 K632 A638 R639 L677	P631-A635 PolarHBondContact O-N 3.05Å; K632-A635 PolarHBondContact O-N 2.93Å; K632-A635 VanDerWaalsContact O-N 3.13Å; A635-A638 WeakPolarHBondContact O-CB 3.49Å; A635-A638 PolarHBondContact O-N 2.75Å; A635-R639 WeakPolarHBondContact O-CG 3.41Å; A635-R639 PolarHBondContact O-N 3.27Å; A635-L677 HydrophobicContact CB-CB 3.69Å
636	D	97.8	Very high	96	Very high	55 Å²	55	41.8 Å²	41.8	29%	0.294	20%	0.201	S	C	.	.	H	α-helix	trans	-66.7	-40.5	175.5	-66.5	-27.3	0	0	0	111.7	V576 K632 A633 F634 R639 L640	V576-D636 HydrophobicContact CG1-CB 4.23Å; V576-D636 HydrophobicContact CG2-CB 4.23Å; K632-D636 PolarHBondContact O-N 2.95Å; A633-D636 PolarHBondContact O-N 2.98Å; F634-D636 VanDerWaalsContact C-N 3.34Å; F634-D636 PolarHBondContact O-N 2.83Å; D636-R639 WeakPolarHBondContact O-CB 3.26Å; D636-R639 PolarHBondContact O-N 3.38Å; D636-R639 IonicContact OD1-CZ 3.88Å; D636-R639 IonicContact OD1-NH1 2.69Å; D636-R639 PolarHBondContact OD1-NH1 2.95Å; D636-L640 PolarHBondContact O-N 2.82Å; D636-L640 VanDerWaalsContact O-N 3.08Å
637	Y	97.7	Very high	96.1	Very high	1 Å²	1	41 Å²	41	0%	0.004	21%	0.206	C	C	.	.	H	α-helix	trans	-61.1	-41.6	170.5	162.4	-111.7	0	0	0	112.3	L565 W567 L570 V571 L605 A633 F634 L640 C641	L565-Y637 WeakPolarHBondContact CB-OH 3.36Å; W567-Y637 HydrophobicContact CB-CD1 4.44Å; W567-Y637 HydrophobicContact CB-CE1 3.88Å; W567-Y637 HydrophobicContact CB-CE2 4.3Å; W567-Y637 AromaticContact CD1-CD1 3.77Å; W567-Y637 AromaticContact CD1-CD2 3.4Å; W567-Y637 VanDerWaalsContact CD1-CD2 3.4Å; W567-Y637 AromaticContact CD1-CE1 3.96Å; W567-Y637 AromaticContact CD1-CE2 3.62Å; W567-Y637 AromaticContact CD1-CG 3.47Å; W567-Y637 VanDerWaalsContact CD1-CG 3.47Å; W567-Y637 AromaticContact CD1-CZ 3.89Å; W567-Y637 AromaticContact CD2-CD1 3.89Å; W567-Y637 HydrophobicContact CD2-CD1 3.89Å; W567-Y637 HydrophobicContact CD2-CE1 4.18Å; W567-Y637 HydrophobicContact CD2-CG 4.21Å; W567-Y637 AromaticContact CE2-CD1 3.95Å; W567-Y637 AromaticContact CE2-CG 3.88Å; W567-Y637 AromaticContact CG-CD1 3.81Å; W567-Y637 HydrophobicContact CG-CD1 3.81Å; W567-Y637 HydrophobicContact CG-CD2 4.16Å; W567-Y637 AromaticContact CG-CE1 3.74Å; W567-Y637 HydrophobicContact CG-CE1 3.74Å; W567-Y637 HydrophobicContact CG-CE2 4.1Å; W567-Y637 HydrophobicContact CG-CG 4Å; W567-Y637 AromaticContact CG-CZ 3.89Å; W567-Y637 AromaticContact NE1-CD1 3.88Å; W567-Y637 AromaticContact NE1-CD2 3.7Å; W567-Y637 AromaticContact NE1-CG 3.41Å; L570-Y637 HydrophobicContact CB-CE2 4.2Å; L570-Y637 HydrophobicContact CD1-CE2 4.05Å; V571-Y637 HydrophobicContact CG2-CD2 3.83Å; V571-Y637 HydrophobicContact CG2-CE2 4.38Å; L605-Y637 HydrophobicContact CB-CE1 4.1Å; L605-Y637 WeakPolarHBondContact O-CE1 3.26Å; L605-Y637 PolarHBondContact O-OH 3.45Å; A633-Y637 WeakPolarHBondContact O-CB 3.43Å; A633-Y637 PolarHBondContact O-N 2.86Å; F634-Y637 HydrophobicContact CD2-CD1 4.08Å; F634-Y637 HydrophobicContact CE2-CD1 4.14Å; F634-Y637 HydrophobicContact CE2-CE1 4.32Å; F634-Y637 WeakPolarHBondContact O-CB 3.44Å; F634-Y637 PolarHBondContact O-N 2.88Å; Y637-L640 WeakPolarHBondContact O-CB 3.24Å; Y637-L640 PolarHBondContact O-N 3.15Å; Y637-C641 WeakPolarHBondContact CE2-SG 3.34Å; Y637-C641 PolarHBondContact O-N 2.89Å; Y637-C641 PolarHBondContact O-SG 2.83Å; Y637-C641 VanDerWaalsContact O-SG 3.33Å
638	A	98.2	Very high	96.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61	-45.4	175.5	0	0	0	0	0	111.3	L605 F634 A635 L640 C641 Y642 A678	L605-A638 HydrophobicContact CD1-CB 3.55Å; F634-A638 WeakPolarHBondContact O-CB 3.38Å; F634-A638 PolarHBondContact O-N 3.02Å; A635-A638 WeakPolarHBondContact O-CB 3.49Å; A635-A638 PolarHBondContact O-N 2.75Å; A638-L640 VanDerWaalsContact C-N 3.31Å; A638-L640 PolarHBondContact O-N 3.46Å; A638-C641 WeakPolarHBondContact O-CB 3.46Å; A638-C641 PolarHBondContact O-N 3.35Å; A638-C641 VanDerWaalsContact O-N 3.09Å; A638-Y642 HydrophobicContact CB-CE2 3.85Å; A638-Y642 VanDerWaalsContact O-CD2 3.23Å; A638-Y642 WeakPolarHBondContact O-CD2 3.45Å; A638-Y642 PolarHBondContact O-N 2.84Å; A638-A678 HydrophobicContact CB-CB 3.74Å
639	R	98.4	Very high	96.7	Very high	73 Å²	73	37.2 Å²	37.2	28%	0.275	18%	0.177	S	C	.	.	H	α-helix	trans	-56.9	-42.5	174.4	-72.2	-178.7	179.6	97.9	8.3	112.6	A635 D636 Y642 R643 A681 E685 F686	A635-R639 WeakPolarHBondContact O-CG 3.41Å; A635-R639 PolarHBondContact O-N 3.27Å; D636-R639 WeakPolarHBondContact O-CB 3.26Å; D636-R639 PolarHBondContact O-N 3.38Å; D636-R639 IonicContact OD1-CZ 3.88Å; D636-R639 IonicContact OD1-NH1 2.69Å; D636-R639 PolarHBondContact OD1-NH1 2.95Å; R639-Y642 PolarHBondContact O-N 3.06Å; R639-R643 WeakPolarHBondContact O-CB 3.31Å; R639-R643 PolarHBondContact O-N 3.41Å; R639-A681 HydrophobicContact CG-CB 3.99Å; R639-E685 IonicContact CZ-OE1 3.67Å; R639-E685 IonicContact NE-OE1 3.64Å; R639-E685 PolarHBondContact NE-OE1 3Å; R639-E685 IonicContact NE-OE2 2.92Å; R639-E685 PolarHBondContact NE-OE2 3.34Å; R639-E685 IonicContact NH2-OE1 2.65Å; R639-E685 PolarHBondContact NH2-OE1 3.04Å; R639-E685 VanDerWaalsContact NH2-OE1 3.1Å; R639-F686 HydrophobicContact CB-CE2 4.45Å; R639-F686 HydrophobicContact CG-CE2 4.26Å
640	L	97.8	Very high	96.8	Very high	7 Å²	7	33.7 Å²	33.7	4%	0.037	16%	0.162	C	C	.	.	H	α-helix	trans	-58.1	-50.8	173.9	176.3	65.9	0	0	0	110.3	V571 V576 P579 L584 D636 Y637 A638 Y642 R643 E644	V571-L640 HydrophobicContact CG2-CD2 4.01Å; V576-L640 HydrophobicContact CB-CD2 4.4Å; V576-L640 HydrophobicContact CG1-CB 4.47Å; V576-L640 HydrophobicContact CG1-CD2 4.43Å; P579-L640 HydrophobicContact CB-CD2 3.85Å; P579-L640 HydrophobicContact CG-CD2 4.48Å; L584-L640 HydrophobicContact CD2-CD1 4.45Å; D636-L640 PolarHBondContact O-N 2.82Å; D636-L640 VanDerWaalsContact O-N 3.08Å; Y637-L640 WeakPolarHBondContact O-CB 3.24Å; Y637-L640 PolarHBondContact O-N 3.15Å; A638-L640 VanDerWaalsContact C-N 3.31Å; A638-L640 PolarHBondContact O-N 3.46Å; L640-Y642 PolarHBondContact O-N 3.19Å; L640-R643 PolarHBondContact O-N 3.36Å; L640-E644 HydrophobicContact CD1-CG 3.87Å; L640-E644 HydrophobicContact CG-CG 4.43Å; L640-E644 WeakPolarHBondContact O-CB 3.42Å; L640-E644 WeakPolarHBondContact O-CG 3.38Å; L640-E644 PolarHBondContact O-N 3.36Å
641	C	97.9	Very high	96.9	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.007	16%	0.163	C	C	.	.	H	α-helix	trans	-61	-44	179.8	-64.4	0	0	0	0	112.8	L565 L605 Y637 A638 R643 E644 M645 W652	L565-C641 HydrophobicContact CD1-CB 4.35Å; L605-C641 HydrophobicContact CD2-CB 3.62Å; Y637-C641 WeakPolarHBondContact CE2-SG 3.34Å; Y637-C641 PolarHBondContact O-N 2.89Å; Y637-C641 PolarHBondContact O-SG 2.83Å; Y637-C641 VanDerWaalsContact O-SG 3.33Å; A638-C641 WeakPolarHBondContact O-CB 3.46Å; A638-C641 PolarHBondContact O-N 3.35Å; A638-C641 VanDerWaalsContact O-N 3.09Å; C641-R643 PolarHBondContact O-N 3.3Å; C641-E644 PolarHBondContact O-N 3.47Å; C641-M645 HydrophobicContact CB-CE 3.89Å; C641-M645 PolarHBondContact O-N 2.59Å; C641-W652 HydrophobicContact CB-CH2 4.2Å; C641-W652 HydrophobicContact CB-CZ3 4.13Å
642	Y	98.2	Very high	97	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.4	-42	178.5	-59.2	-30.5	0	0	0	112.4	L605 A638 R639 L640 G646 W652 A678 Y682 F686 Q690	L605-Y642 HydrophobicContact CD1-CE1 4.05Å; A638-Y642 HydrophobicContact CB-CE2 3.85Å; A638-Y642 VanDerWaalsContact O-CD2 3.23Å; A638-Y642 WeakPolarHBondContact O-CD2 3.45Å; A638-Y642 PolarHBondContact O-N 2.84Å; R639-Y642 PolarHBondContact O-N 3.06Å; L640-Y642 PolarHBondContact O-N 3.19Å; Y642-G646 VanDerWaalsContact O-CA 3.23Å; Y642-G646 WeakPolarHBondContact O-CA 3.46Å; Y642-G646 PolarHBondContact O-N 2.64Å; Y642-W652 AromaticContact CD1-CD2 3.8Å; Y642-W652 HydrophobicContact CD1-CD2 3.8Å; Y642-W652 AromaticContact CD1-CE2 3.65Å; Y642-W652 HydrophobicContact CD1-CE3 4.09Å; Y642-W652 HydrophobicContact CD1-CG 4.31Å; Y642-W652 HydrophobicContact CD1-CH2 4.06Å; Y642-W652 AromaticContact CD1-CZ2 3.78Å; Y642-W652 HydrophobicContact CD1-CZ2 3.78Å; Y642-W652 HydrophobicContact CD1-CZ3 4.22Å; Y642-W652 HydrophobicContact CE1-CB 4.32Å; Y642-W652 AromaticContact CE1-CD2 3.66Å; Y642-W652 HydrophobicContact CE1-CD2 3.66Å; Y642-W652 AromaticContact CE1-CE2 4Å; Y642-W652 AromaticContact CE1-CE3 3.9Å; Y642-W652 HydrophobicContact CE1-CE3 3.9Å; Y642-W652 AromaticContact CE1-CG 3.87Å; Y642-W652 HydrophobicContact CE1-CG 3.87Å; Y642-W652 HydrophobicContact CE1-CZ2 4.49Å; Y642-W652 HydrophobicContact CE1-CZ3 4.41Å; Y642-A678 WeakPolarHBondContact CE2-O 3.42Å; Y642-A678 PolarHBondContact OH-O 3.27Å; Y642-Y682 AromaticContact CD1-CD2 3.75Å; Y642-Y682 HydrophobicContact CD1-CD2 3.75Å; Y642-Y682 HydrophobicContact CD1-CE2 4.18Å; Y642-Y682 AromaticContact CD2-CD2 3.74Å; Y642-Y682 HydrophobicContact CD2-CD2 3.74Å; Y642-Y682 HydrophobicContact CD2-CG 4.47Å; Y642-Y682 AromaticContact CE1-CD2 3.88Å; Y642-Y682 HydrophobicContact CE1-CD2 3.88Å; Y642-Y682 AromaticContact CE2-CD2 3.87Å; Y642-Y682 HydrophobicContact CE2-CD2 3.87Å; Y642-Y682 HydrophobicContact CE2-CG 4.29Å; Y642-Y682 AromaticContact CG-CD2 3.68Å; Y642-Y682 HydrophobicContact CG-CD2 3.68Å; Y642-Y682 HydrophobicContact CG-CE2 4.28Å; Y642-Y682 AromaticContact CZ-CD2 3.93Å; Y642-F686 AromaticContact CD2-CD2 3.95Å; Y642-F686 HydrophobicContact CD2-CD2 3.95Å; Y642-F686 HydrophobicContact CD2-CE2 4.08Å; Y642-F686 HydrophobicContact CG-CD2 4.41Å; Y642-Q690 PolarHBondContact O-NE2 3.2Å
643	R	96.8	Very high	97.1	Very high	155 Å²	155	26.8 Å²	26.8	59%	0.585	13%	0.132	S	C	*	.	H	α-helix	trans	-63.9	-41.9	176.7	175.3	169.8	45.2	167.7	-4.5	111.9	R639 L640 C641 F686	R639-R643 WeakPolarHBondContact O-CB 3.31Å; R639-R643 PolarHBondContact O-N 3.41Å; L640-R643 PolarHBondContact O-N 3.36Å; C641-R643 PolarHBondContact O-N 3.3Å; R643-F686 HydrophobicContact CB-CE1 4.08Å; R643-F686 HydrophobicContact CB-CZ 4.4Å
644	E	95.5	Very high	97.2	Very high	48 Å²	48	25.9 Å²	25.9	22%	0.224	13%	0.125	C	C	.	.	H	α-helix	trans	-84.6	-27.5	-170.2	-62.8	-66.4	167.9	0	0	113.7	L584 R588 L640 C641	L584-E644 HydrophobicContact CD1-CB 3.86Å; L584-E644 HydrophobicContact CD1-CG 4.06Å; L584-E644 HydrophobicContact CD2-CB 4.26Å; L584-E644 HydrophobicContact CD2-CG 3.67Å; L584-E644 HydrophobicContact CG-CB 4.22Å; L584-E644 HydrophobicContact CG-CG 4.19Å; R588-E644 IonicContact CZ-OE2 2.66Å; R588-E644 PolarHBondContact NE-O 2.8Å; R588-E644 IonicContact NE-OE2 2.77Å; R588-E644 IonicContact NH1-OE2 3.69Å; R588-E644 IonicContact NH2-OE2 2.63Å; R588-E644 PolarHBondContact NH2-OE2 2.96Å; L640-E644 HydrophobicContact CD1-CG 3.87Å; L640-E644 HydrophobicContact CG-CG 4.43Å; L640-E644 WeakPolarHBondContact O-CB 3.42Å; L640-E644 WeakPolarHBondContact O-CG 3.38Å; L640-E644 PolarHBondContact O-N 3.36Å; C641-E644 PolarHBondContact O-N 3.47Å
645	M	96.4	Very high	97.1	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-126.9	-13.9	-174	-65.3	176.7	-75.4	0	0	114.3	L565 T591 C641 A647 H648 V649 W652	L565-M645 HydrophobicContact CD1-CE 3.64Å; L565-M645 HydrophobicContact CD2-CE 4.32Å; T591-M645 HydrophobicContact CG2-SD 4.42Å; C641-M645 HydrophobicContact CB-CE 3.89Å; C641-M645 PolarHBondContact O-N 2.59Å; M645-A647 PolarHBondContact O-N 3.46Å; M645-H648 PolarHBondContact O-N 2.92Å; M645-V649 HydrophobicContact CB-CG2 3.96Å; M645-V649 PolarHBondContact O-N 3.21Å; M645-W652 HydrophobicContact CB-CH2 3.99Å; M645-W652 HydrophobicContact CB-CZ2 4.42Å; M645-W652 HydrophobicContact CE-CH2 4.29Å
646	G	95.4	Very high	97	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-10.7	-174.3	0	0	0	0	0	115.9	Y642 H648 K650 Q690	Y642-G646 VanDerWaalsContact O-CA 3.23Å; Y642-G646 WeakPolarHBondContact O-CA 3.46Å; Y642-G646 PolarHBondContact O-N 2.64Å; G646-H648 VanDerWaalsContact C-N 3.29Å; G646-K650 PolarHBondContact O-NZ 3.11Å; G646-Q690 VanDerWaalsContact CA-OE1 3.3Å
647	A	94	Very high	96.8	Very high	71 Å²	71	25.3 Å²	25.3	59%	0.587	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-40.4	165	0	0	0	0	0	111.7	M645 K650	M645-A647 PolarHBondContact O-N 3.46Å; A647-K650 WeakPolarHBondContact O-CE 3.16Å; A647-K650 PolarHBondContact O-NZ 3.24Å; A647-K650 VanDerWaalsContact O-NZ 3.08Å
648	H	95.8	Very high	96.6	Very high	51 Å²	51	25.3 Å²	25.3	24%	0.236	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-30.8	-176.1	-50.4	105	0	0	0	112.8	V595 M645 G646	V595-H648 HydrophobicContact CG2-CB 4.05Å; M645-H648 PolarHBondContact O-N 2.92Å; G646-H648 VanDerWaalsContact C-N 3.29Å
649	V	97.6	Very high	96.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.122	C	C	.	.			trans	-91.3	119.8	-177.7	-177.2	0	0	0	0	110.7	T591 P601 V603 M645 M651 W652	T591-V649 HydrophobicContact CG2-CG2 3.71Å; P601-V649 HydrophobicContact CB-CG2 4.38Å; P601-V649 HydrophobicContact CG-CG2 4.03Å; V603-V649 HydrophobicContact CB-CG1 3.97Å; V603-V649 HydrophobicContact CG2-CB 4.34Å; V603-V649 HydrophobicContact CG2-CG1 3.7Å; V603-V649 HydrophobicContact CG2-CG2 3.62Å; M645-V649 HydrophobicContact CB-CG2 3.96Å; M645-V649 PolarHBondContact O-N 3.21Å; V649-M651 WeakPolarHBondContact CG1-O 3.38Å; V649-W652 HydrophobicContact CB-CD2 4.48Å; V649-W652 HydrophobicContact CB-CH2 4.09Å; V649-W652 HydrophobicContact CB-CZ2 3.49Å; V649-W652 VanDerWaalsContact CB-CZ2 3.49Å; V649-W652 HydrophobicContact CG1-CD2 3.66Å; V649-W652 HydrophobicContact CG1-CE3 4.12Å; V649-W652 HydrophobicContact CG1-CG 4.17Å; V649-W652 HydrophobicContact CG1-CH2 4.09Å; V649-W652 HydrophobicContact CG1-CZ2 3.6Å; V649-W652 HydrophobicContact CG1-CZ3 4.32Å; V649-W652 HydrophobicContact CG2-CH2 4.24Å; V649-W652 HydrophobicContact CG2-CZ2 4.11Å; V649-W652 PolarHBondContact O-NE1 3.21Å
650	K	94.9	Very high	95.9	Very high	77 Å²	77	23 Å²	23	34%	0.335	11%	0.113	S	C	.	.			trans	-109.4	-4.9	-179.1	-57	-56.2	174.6	-162.3	0	114	G646 A647 Q690 G692 R693	G646-K650 PolarHBondContact O-NZ 3.11Å; A647-K650 WeakPolarHBondContact O-CE 3.16Å; A647-K650 PolarHBondContact O-NZ 3.24Å; A647-K650 VanDerWaalsContact O-NZ 3.08Å; K650-Q690 WeakPolarHBondContact CD-O 3.31Å; K650-Q690 WeakPolarHBondContact CE-O 3.27Å; K650-Q690 PolarHBondContact NZ-O 3.16Å; K650-G692 CarbonylContact O-C 3.53Å; K650-G692 WeakPolarHBondContact O-CA 3.35Å; K650-R693 PolarHBondContact O-N 3.27Å
651	M	98.1	Very high	95.1	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.015	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	124.8	177.8	-167.3	175.6	177.4	0	0	109.2	V602 V603 V649 R693 F771 Y835 M837	V602-M651 WeakPolarHBondContact CA-O 3.48Å; V602-M651 HydrophobicContact CB-CB 4.37Å; V602-M651 HydrophobicContact CB-SD 4.49Å; V602-M651 HydrophobicContact CG1-CB 3.97Å; V602-M651 HydrophobicContact CG1-CG 3.73Å; V602-M651 HydrophobicContact CG1-SD 3.93Å; V602-M651 HydrophobicContact CG2-CB 4.03Å; V602-M651 HydrophobicContact CG2-CG 4.26Å; V602-M651 HydrophobicContact CG2-SD 3.75Å; V603-M651 PolarHBondContact N-O 3.41Å; V603-M651 VanDerWaalsContact N-O 3.09Å; V649-M651 WeakPolarHBondContact CG1-O 3.38Å; M651-R693 CarbonylContact C-O 3.56Å; M651-R693 WeakPolarHBondContact CA-O 3.47Å; M651-F771 HydrophobicContact CE-CD2 3.92Å; M651-F771 HydrophobicContact CE-CE1 4Å; M651-F771 HydrophobicContact CE-CE2 3.3Å; M651-F771 HydrophobicContact CE-CG 4.5Å; M651-F771 HydrophobicContact CE-CZ 3.36Å; M651-F771 HydrophobicContact CG-CE1 4.02Å; M651-F771 HydrophobicContact CG-CZ 3.78Å; M651-F771 HydrophobicContact SD-CZ 4.42Å; M651-Y835 HydrophobicContact CE-CD1 3.78Å; M651-Y835 HydrophobicContact CE-CD2 3.8Å; M651-Y835 HydrophobicContact CE-CE1 4.06Å; M651-Y835 HydrophobicContact CE-CE2 4.05Å; M651-Y835 HydrophobicContact CE-CG 3.65Å; M651-Y835 HydrophobicContact SD-CE1 4.49Å; M651-M837 HydrophobicContact CE-CE 4.47Å; M651-M837 HydrophobicContact CE-SD 3.83Å
652	W	98.6	Very high	94.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	140.5	-176	-63.5	92.3	0	0	0	110.7	V603 L605 C641 Y642 M645 V649 Y682 R693 V694 S695	V603-W652 HydrophobicContact CB-CE3 3.86Å; V603-W652 HydrophobicContact CB-CZ3 3.84Å; V603-W652 HydrophobicContact CG1-CE3 4.1Å; V603-W652 HydrophobicContact CG1-CZ3 3.74Å; V603-W652 WeakPolarHBondContact O-CA 3.46Å; L605-W652 HydrophobicContact CD2-CE3 3.7Å; L605-W652 HydrophobicContact CD2-CZ3 3.57Å; L605-W652 HydrophobicContact CG-CE3 4.27Å; C641-W652 HydrophobicContact CB-CH2 4.2Å; C641-W652 HydrophobicContact CB-CZ3 4.13Å; Y642-W652 AromaticContact CD1-CD2 3.8Å; Y642-W652 HydrophobicContact CD1-CD2 3.8Å; Y642-W652 AromaticContact CD1-CE2 3.65Å; Y642-W652 HydrophobicContact CD1-CE3 4.09Å; Y642-W652 HydrophobicContact CD1-CG 4.31Å; Y642-W652 HydrophobicContact CD1-CH2 4.06Å; Y642-W652 AromaticContact CD1-CZ2 3.78Å; Y642-W652 HydrophobicContact CD1-CZ2 3.78Å; Y642-W652 HydrophobicContact CD1-CZ3 4.22Å; Y642-W652 HydrophobicContact CE1-CB 4.32Å; Y642-W652 AromaticContact CE1-CD2 3.66Å; Y642-W652 HydrophobicContact CE1-CD2 3.66Å; Y642-W652 AromaticContact CE1-CE2 4Å; Y642-W652 AromaticContact CE1-CE3 3.9Å; Y642-W652 HydrophobicContact CE1-CE3 3.9Å; Y642-W652 AromaticContact CE1-CG 3.87Å; Y642-W652 HydrophobicContact CE1-CG 3.87Å; Y642-W652 HydrophobicContact CE1-CZ2 4.49Å; Y642-W652 HydrophobicContact CE1-CZ3 4.41Å; M645-W652 HydrophobicContact CB-CH2 3.99Å; M645-W652 HydrophobicContact CB-CZ2 4.42Å; M645-W652 HydrophobicContact CE-CH2 4.29Å; V649-W652 HydrophobicContact CB-CD2 4.48Å; V649-W652 HydrophobicContact CB-CH2 4.09Å; V649-W652 HydrophobicContact CB-CZ2 3.49Å; V649-W652 VanDerWaalsContact CB-CZ2 3.49Å; V649-W652 HydrophobicContact CG1-CD2 3.66Å; V649-W652 HydrophobicContact CG1-CE3 4.12Å; V649-W652 HydrophobicContact CG1-CG 4.17Å; V649-W652 HydrophobicContact CG1-CH2 4.09Å; V649-W652 HydrophobicContact CG1-CZ2 3.6Å; V649-W652 HydrophobicContact CG1-CZ3 4.32Å; V649-W652 HydrophobicContact CG2-CH2 4.24Å; V649-W652 HydrophobicContact CG2-CZ2 4.11Å; V649-W652 PolarHBondContact O-NE1 3.21Å; W652-Y682 AromaticContact CD1-CE2 3.92Å; W652-Y682 AromaticContact NE1-CE2 3.78Å; W652-R693 PolarHBondContact N-O 2.89Å; W652-V694 HydrophobicContact CB-CB 4.39Å; W652-V694 HydrophobicContact CB-CG1 4.21Å; W652-V694 HydrophobicContact CB-CG2 4.02Å; W652-V694 HydrophobicContact CG-CG2 4.39Å; W652-V694 WeakPolarHBondContact O-CA 3.43Å; W652-S695 PolarHBondContact O-N 3.45Å
653	I	98.4	Very high	94.1	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.2	169.6	-58.4	-60.7	0	0	0	106.9	V602 V603 T604 L605 L655 N656 S695 A697 F771 A773 M837	V602-I653 HydrophobicContact CG1-CG1 4.23Å; V603-I653 PolarHBondContact O-N 3.48Å; T604-I653 CarbonylContact C-O 3.54Å; T604-I653 VanDerWaalsContact CA-O 3.27Å; T604-I653 WeakPolarHBondContact CA-O 3.45Å; T604-I653 VanDerWaalsContact OG1-CB 3.32Å; T604-I653 WeakPolarHBondContact OG1-CB 3.5Å; T604-I653 WeakPolarHBondContact OG1-CG2 3.22Å; L605-I653 PolarHBondContact N-O 2.98Å; I653-L655 WeakPolarHBondContact CG2-O 3.43Å; I653-N656 HydrophobicContact CG2-CB 4.22Å; I653-S695 CarbonylContact C-O 3.48Å; I653-S695 VanDerWaalsContact CA-O 3.28Å; I653-S695 WeakPolarHBondContact CA-O 3.41Å; I653-A697 HydrophobicContact CD1-CB 4.42Å; I653-A697 HydrophobicContact CG2-CB 3.79Å; I653-F771 HydrophobicContact CD1-CE2 3.75Å; I653-F771 HydrophobicContact CD1-CZ 3.81Å; I653-A773 HydrophobicContact CD1-CB 3.91Å; I653-M837 HydrophobicContact CD1-CE 4.48Å; I653-M837 HydrophobicContact CG1-CE 4.34Å
654	T	98.3	Very high	93.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	-53.4	179.9	57.8	0	0	0	0	110.6	L605 W606 F634 H675 A678 V694 S695	L605-T654 HydrophobicContact CD1-CG2 4.5Å; W606-T654 PolarHBondContact N-O 3.46Å; W606-T654 VanDerWaalsContact N-O 3.12Å; F634-T654 WeakPolarHBondContact CZ-O 3.48Å; T654-H675 PolarHBondContact OG1-ND1 3.23Å; T654-A678 HydrophobicContact CG2-CB 4.06Å; T654-V694 HydrophobicContact CG2-CG1 3.64Å; T654-S695 PolarHBondContact N-O 2.82Å; T654-S695 PolarHBondContact OG1-O 2.87Å
655	L	96.4	Very high	93.8	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	126	-177.5	-55.9	175.9	0	0	0	107.5	W606 W625 F634 I653 P658 M671 H675 A697	W606-L655 HydrophobicContact CB-CD2 4.24Å; W606-L655 HydrophobicContact CD2-CD2 4.22Å; W606-L655 HydrophobicContact CE3-CB 4.41Å; W606-L655 HydrophobicContact CE3-CD2 3.61Å; W606-L655 HydrophobicContact CZ3-CD2 4.31Å; W606-L655 WeakPolarHBondContact O-CA 3.34Å; W625-L655 HydrophobicContact CH2-CD2 4.28Å; W625-L655 HydrophobicContact CZ2-CD2 4.38Å; F634-L655 HydrophobicContact CE1-CD2 4.33Å; F634-L655 HydrophobicContact CE2-CD2 4.31Å; F634-L655 HydrophobicContact CZ-CD2 3.93Å; I653-L655 WeakPolarHBondContact CG2-O 3.43Å; L655-P658 HydrophobicContact CB-CB 4.15Å; L655-P658 HydrophobicContact CB-CG 3.86Å; L655-P658 HydrophobicContact CD1-CB 4.31Å; L655-P658 HydrophobicContact CD1-CG 4.32Å; L655-M671 HydrophobicContact CD1-CB 3.86Å; L655-M671 WeakPolarHBondContact CD1-O 3.38Å; L655-H675 HydrophobicContact CD1-CB 4Å; L655-H675 HydrophobicContact CG-CB 4.48Å; L655-A697 PolarHBondContact O-N 3.13Å
656	N	94.8	Very high	93.6	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	114.7	175.6	-170.9	57.2	0	0	0	110.4	T604 W606 H607 H608 I653 A697	T604-N656 HydrophobicContact CG2-CB 3.51Å; W606-N656 PolarHBondContact O-N 2.84Å; H607-N656 HydrophobicContact CB-CB 4.36Å; H607-N656 PolarHBondContact CE1-ND2 2.99Å; H607-N656 PolarHBondContact ND1-ND2 2.75Å; H607-N656 PolarHBondContact ND1-O 3.17Å; H608-N656 PolarHBondContact N-O 3.23Å; I653-N656 HydrophobicContact CG2-CB 4.22Å; N656-A697 VanDerWaalsContact OD1-CB 3.29Å; N656-A697 WeakPolarHBondContact OD1-CB 3.4Å
657	E	93.9	Very high	93.5	Very high	38 Å²	38	35.7 Å²	35.7	18%	0.178	19%	0.185	C	C	.	.	S	Bend	trans	56.3	51.1	179.5	-58.1	174.7	-160.5	0	0	114.3	N659 A697 H699 S775	E657-N659 VanDerWaalsContact C-N 3.26Å; E657-N659 PolarHBondContact O-N 3.35Å; E657-A697 WeakPolarHBondContact CA-O 3.43Å; E657-A697 PolarHBondContact N-O 2.94Å; E657-H699 HydrophobicContact CB-CB 4.1Å; E657-H699 HydrophobicContact CG-CB 3.96Å; E657-S775 WeakPolarHBondContact OE1-CB 3.4Å; E657-S775 PolarHBondContact OE1-OG 3.47Å
658	P	93.6	Very high	93.6	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	16%	0.157	C	C	.	.			trans	-73.6	-14.2	-178.8	30.9	-34.8	0	0	0	114.2	W606 L655 D660 M671 A697 L698 L728	W606-P658 HydrophobicContact CZ3-CB 4.4Å; L655-P658 HydrophobicContact CB-CB 4.15Å; L655-P658 HydrophobicContact CB-CG 3.86Å; L655-P658 HydrophobicContact CD1-CB 4.31Å; L655-P658 HydrophobicContact CD1-CG 4.32Å; P658-D660 PolarHBondContact O-N 3.24Å; P658-M671 HydrophobicContact CB-SD 3.86Å; P658-A697 VanDerWaalsContact CD-O 3.31Å; P658-A697 WeakPolarHBondContact CD-O 3.38Å; P658-L698 HydrophobicContact CG-CD2 4.32Å; P658-L728 HydrophobicContact CB-CD1 4.02Å; P658-L728 HydrophobicContact CG-CD1 3.65Å
659	N	93.2	Very high	93.6	Very high	9 Å²	9	30.1 Å²	30.1	5%	0.048	15%	0.147	C	C	.	.			trans	-82.7	43.5	-177.2	58.2	-47.1	0	0	0	113.1	E657 H699 Y724 L728	E657-N659 VanDerWaalsContact C-N 3.26Å; E657-N659 PolarHBondContact O-N 3.35Å; N659-H699 PolarHBondContact ND2-O 2.69Å; N659-H699 PolarHBondContact OD1-N 3.5Å; N659-Y724 WeakPolarHBondContact CB-O 3.39Å; N659-Y724 PolarHBondContact ND2-O 3.29Å; N659-L728 HydrophobicContact CB-CD1 3.78Å; N659-L728 HydrophobicContact CB-CG 4.26Å
660	D	87.9	Confident	93.5	Very high	15 Å²	15	31.5 Å²	31.5	8%	0.08	15%	0.153	C	C	.	.			trans	-75.1	144.3	177	-166.4	-86.9	0	0	0	111.5	R610 P658 M662 V663	R610-D660 IonicContact CZ-OD2 2.95Å; R610-D660 IonicContact NE-OD1 3.25Å; R610-D660 IonicContact NE-OD2 3.84Å; R610-D660 PolarHBondContact NE-OD2 3.31Å; R610-D660 IonicContact NH2-OD2 2.69Å; R610-D660 PolarHBondContact NH2-OD2 3.48Å; P658-D660 PolarHBondContact O-N 3.24Å; D660-M662 PolarHBondContact O-N 2.96Å; D660-M662 VanDerWaalsContact O-N 3.09Å; D660-M662 WeakPolarHBondContact OD1-CB 3.19Å; D660-M662 PolarHBondContact OD1-N 2.8Å; D660-V663 HydrophobicContact CB-CG2 4.08Å; D660-V663 PolarHBondContact O-N 2.9Å
661	E	82.1	Confident	93.6	Very high	118 Å²	118	28 Å²	28	55%	0.551	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-19.4	-178.6	-63.6	172.5	-161.3	0	0	112.9	Y724 K780	E661-Y724 HydrophobicContact CG-CE1 3.85Å; E661-Y724 PolarHBondContact OE1-OH 2.79Å; E661-Y724 VanDerWaalsContact OE1-OH 3.12Å; E661-K780 IonicContact OE1-NZ 3.62Å; E661-K780 PolarHBondContact OE1-NZ 3.44Å
662	M	84.6	Confident	93.6	Very high	147 Å²	147	28 Å²	28	72%	0.724	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-10.6	177	-62	-174.1	176.3	0	0	114.4	D660	D660-M662 PolarHBondContact O-N 2.96Å; D660-M662 VanDerWaalsContact O-N 3.09Å; D660-M662 WeakPolarHBondContact OD1-CB 3.19Å; D660-M662 PolarHBondContact OD1-N 2.8Å
663	V	89.4	Confident	93.5	Very high	16 Å²	16	28.6 Å²	28.6	10%	0.097	14%	0.141	C	C	.	.	S	Bend	trans	-82.6	129.2	-176.7	179.6	0	0	0	0	110	D660 E667 M671 W727	D660-V663 HydrophobicContact CB-CG2 4.08Å; D660-V663 PolarHBondContact O-N 2.9Å; V663-E667 HydrophobicContact CG1-CB 3.69Å; V663-M671 HydrophobicContact CG1-CE 4.01Å; V663-M671 HydrophobicContact CG1-SD 4.19Å; V663-M671 HydrophobicContact CG2-CE 4.38Å; V663-W727 HydrophobicContact CB-CH2 4Å; V663-W727 HydrophobicContact CB-CZ3 4.48Å; V663-W727 HydrophobicContact CG1-CH2 3.84Å; V663-W727 WeakPolarHBondContact O-CH2 3.49Å
664	S	91.9	Very high	93.5	Very high	39 Å²	39	28.6 Å²	28.6	27%	0.273	14%	0.141	S	C	.	.			trans	-72.1	158.2	176.7	66.1	0	0	0	0	112.6	Q666 E667 G668	S664-Q666 PolarHBondContact O-N 3.33Å; S664-E667 WeakPolarHBondContact CB-OE2 3.5Å; S664-E667 PolarHBondContact N-OE2 3.31Å; S664-E667 PolarHBondContact O-N 2.86Å; S664-E667 WeakPolarHBondContact OG-CB 3.33Å; S664-E667 VanDerWaalsContact OG-CD 3.29Å; S664-E667 WeakPolarHBondContact OG-CG 3.29Å; S664-E667 PolarHBondContact OG-N 3.3Å; S664-E667 PolarHBondContact OG-OE2 2.88Å; S664-G668 PolarHBondContact O-N 2.84Å
665	Y	93.5	Very high	93.5	Very high	24 Å²	24	28.6 Å²	28.6	9%	0.094	14%	0.141	C	C	.	.	H	α-helix	trans	-59.9	-33.1	178.1	-59.7	-49.4	0	0	0	113.1	H669 F723 W727 M742 L746 E753 L754	Y665-H669 WeakPolarHBondContact O-CB 3.35Å; Y665-H669 PolarHBondContact O-N 2.61Å; Y665-F723 WeakPolarHBondContact OH-CE1 3.37Å; Y665-W727 AromaticContact CD1-CE2 3.95Å; Y665-W727 HydrophobicContact CD1-CZ2 4Å; Y665-W727 AromaticContact CD1-NE1 3.97Å; Y665-M742 HydrophobicContact CD1-CE 3.71Å; Y665-M742 HydrophobicContact CE1-CE 3.16Å; Y665-L746 HydrophobicContact CE2-CD1 4.05Å; Y665-L746 HydrophobicContact CE2-CD2 4.44Å; Y665-E753 HydrophobicContact CD2-CB 3.75Å; Y665-E753 HydrophobicContact CE2-CB 4.26Å; Y665-L754 HydrophobicContact CD1-CD1 4.12Å; Y665-L754 HydrophobicContact CG-CD1 4.17Å
666	Q	93.6	Very high	93.6	Very high	83 Å²	83	28.5 Å²	28.5	39%	0.388	14%	0.141	S	C	.	.	H	α-helix	trans	-70.7	-43.6	176.8	-66.2	79.7	2.8	0	0	111.7	L626 S664 H669 Q670 E753 P755	L626-Q666 HydrophobicContact CD2-CB 3.6Å; S664-Q666 PolarHBondContact O-N 3.33Å; Q666-H669 WeakPolarHBondContact O-CB 3.42Å; Q666-H669 PolarHBondContact O-N 2.65Å; Q666-Q670 WeakPolarHBondContact O-CG 3.44Å; Q666-Q670 PolarHBondContact O-N 3.26Å; Q666-Q670 VanDerWaalsContact O-N 3.1Å; Q666-E753 PolarHBondContact NE2-O 3.45Å; Q666-E753 VanDerWaalsContact NE2-O 3.13Å; Q666-P755 HydrophobicContact CG-CG 4.49Å
667	E	93.6	Very high	93.8	Very high	52 Å²	52	31 Å²	31	24%	0.243	15%	0.154	C	C	.	.	H	α-helix	trans	-62.4	-46.8	174.5	-71.1	167.5	125.2	0	0	111.1	W625 L626 V663 S664 H669 Q670 M671	W625-E667 HydrophobicContact CB-CB 4.03Å; W625-E667 HydrophobicContact CB-CG 3.93Å; L626-E667 HydrophobicContact CD2-CG 3.64Å; L626-E667 HydrophobicContact CG-CG 3.74Å; V663-E667 HydrophobicContact CG1-CB 3.69Å; S664-E667 WeakPolarHBondContact CB-OE2 3.5Å; S664-E667 PolarHBondContact N-OE2 3.31Å; S664-E667 PolarHBondContact O-N 2.86Å; S664-E667 WeakPolarHBondContact OG-CB 3.33Å; S664-E667 VanDerWaalsContact OG-CD 3.29Å; S664-E667 WeakPolarHBondContact OG-CG 3.29Å; S664-E667 PolarHBondContact OG-N 3.3Å; S664-E667 PolarHBondContact OG-OE2 2.88Å; E667-H669 VanDerWaalsContact C-N 3.26Å; E667-H669 PolarHBondContact O-N 3.49Å; E667-Q670 PolarHBondContact O-N 3.38Å; E667-M671 WeakPolarHBondContact O-CG 3.18Å; E667-M671 PolarHBondContact O-N 2.93Å
668	G	94.8	Very high	94	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.6	-36.2	175.9	0	0	0	0	0	112.6	S664 M671 L672	S664-G668 PolarHBondContact O-N 2.84Å; G668-M671 PolarHBondContact O-N 3.02Å; G668-L672 WeakPolarHBondContact O-CG 3.27Å; G668-L672 PolarHBondContact O-N 3.22Å
669	H	96.1	Very high	94.3	Very high	5 Å²	5	30 Å²	30	2%	0.023	15%	0.149	C	C	.	.	H	α-helix	trans	-61.9	-44.7	172.6	-166.1	83.2	0	0	0	112.3	Y665 Q666 E667 L672 L673 Y738 P755 F757 R761	Y665-H669 WeakPolarHBondContact O-CB 3.35Å; Y665-H669 PolarHBondContact O-N 2.61Å; Q666-H669 WeakPolarHBondContact O-CB 3.42Å; Q666-H669 PolarHBondContact O-N 2.65Å; E667-H669 VanDerWaalsContact C-N 3.26Å; E667-H669 PolarHBondContact O-N 3.49Å; H669-L672 PolarHBondContact O-N 2.94Å; H669-L673 WeakPolarHBondContact O-CG 3.29Å; H669-L673 PolarHBondContact O-N 3.33Å; H669-Y738 WeakPolarHBondContact CA-OH 3.48Å; H669-Y738 VanDerWaalsContact CB-OH 3.23Å; H669-Y738 WeakPolarHBondContact CB-OH 3.32Å; H669-Y738 AromaticContact ND1-CE2 3.92Å; H669-Y738 AromaticContact ND1-CZ 3.72Å; H669-Y738 PolarHBondContact ND1-OH 2.99Å; H669-P755 HydrophobicContact CB-CB 4.4Å; H669-P755 HydrophobicContact CB-CG 4.01Å; H669-F757 AromaticContact CE1-CD1 3.58Å; H669-F757 AromaticContact CE1-CE1 3.3Å; H669-F757 WeakPolarHBondContact CE1-CE1 3.33Å; H669-F757 AromaticContact CE1-CE2 3.9Å; H669-F757 AromaticContact CE1-CG 3.98Å; H669-F757 AromaticContact CE1-CZ 3.48Å; H669-F757 VanDerWaalsContact CE1-CZ 3.48Å; H669-F757 WeakPolarHBondContact CE1-CZ 3.41Å; H669-F757 AromaticContact ND1-CE1 3.86Å; H669-F757 AromaticContact ND1-CE2 3.89Å; H669-F757 AromaticContact ND1-CZ 3.55Å; H669-R761 PolarHBondContact NE2-NH1 3.25Å
670	Q	96	Very high	94.5	Very high	29 Å²	29	32.7 Å²	32.7	14%	0.136	16%	0.158	C	C	.	.	H	α-helix	trans	-67.7	-37.3	177.9	-62.8	-64.3	-24.7	0	0	111.5	W625 P631 Q666 E667 L673 A674	W625-Q670 WeakPolarHBondContact O-CB 3.44Å; W625-Q670 WeakPolarHBondContact O-CG 3.17Å; P631-Q670 HydrophobicContact CG-CB 4.05Å; P631-Q670 WeakPolarHBondContact CG-O 3.49Å; P631-Q670 VanDerWaalsContact CG-OE1 3.26Å; Q666-Q670 WeakPolarHBondContact O-CG 3.44Å; Q666-Q670 PolarHBondContact O-N 3.26Å; Q666-Q670 VanDerWaalsContact O-N 3.1Å; E667-Q670 PolarHBondContact O-N 3.38Å; Q670-L673 PolarHBondContact O-N 3.08Å; Q670-A674 WeakPolarHBondContact O-CB 3.27Å; Q670-A674 PolarHBondContact O-N 3.49Å
671	M	96.1	Very high	95	Very high	4 Å²	4	32 Å²	32	2%	0.02	15%	0.154	C	C	.	.	H	α-helix	trans	-61.1	-41.5	173	-71.3	177.4	-173.8	0	0	112.2	W606 W625 L655 P658 V663 E667 G668 L673 A674 H675	W606-M671 HydrophobicContact CH2-CE 3.96Å; W625-M671 HydrophobicContact CB-CE 4.34Å; W625-M671 HydrophobicContact CD2-CE 4.04Å; W625-M671 HydrophobicContact CD2-CG 3.76Å; W625-M671 HydrophobicContact CE3-CG 3.88Å; W625-M671 HydrophobicContact CG-CE 3.66Å; W625-M671 HydrophobicContact CG-CG 4.18Å; W625-M671 HydrophobicContact CZ2-CG 4.39Å; W625-M671 HydrophobicContact CZ3-CG 4.27Å; L655-M671 HydrophobicContact CD1-CB 3.86Å; L655-M671 WeakPolarHBondContact CD1-O 3.38Å; P658-M671 HydrophobicContact CB-SD 3.86Å; V663-M671 HydrophobicContact CG1-CE 4.01Å; V663-M671 HydrophobicContact CG1-SD 4.19Å; V663-M671 HydrophobicContact CG2-CE 4.38Å; E667-M671 WeakPolarHBondContact O-CG 3.18Å; E667-M671 PolarHBondContact O-N 2.93Å; G668-M671 PolarHBondContact O-N 3.02Å; M671-L673 VanDerWaalsContact C-N 3.35Å; M671-L673 PolarHBondContact O-N 3.04Å; M671-A674 WeakPolarHBondContact O-CB 3.36Å; M671-A674 PolarHBondContact O-N 2.03Å; M671-H675 WeakPolarHBondContact O-CB 3.49Å; M671-H675 PolarHBondContact O-N 2.94Å
672	L	97.8	Very high	95.8	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-59.7	-44.4	174	-73.9	170.7	0	0	0	111.8	G668 H669 A674 A676 L728 P731 I732 Y738 F757 V765	G668-L672 WeakPolarHBondContact O-CG 3.27Å; G668-L672 PolarHBondContact O-N 3.22Å; H669-L672 PolarHBondContact O-N 2.94Å; L672-A674 VanDerWaalsContact C-N 3.35Å; L672-A676 WeakPolarHBondContact O-CB 3.49Å; L672-A676 PolarHBondContact O-N 2.83Å; L672-L728 HydrophobicContact CD1-CD2 3.97Å; L672-L728 HydrophobicContact CD2-CB 4.25Å; L672-L728 HydrophobicContact CD2-CD2 3.98Å; L672-L728 HydrophobicContact CG-CD2 3.84Å; L672-P731 HydrophobicContact CD1-CB 4.1Å; L672-P731 HydrophobicContact CD1-CG 3.9Å; L672-P731 HydrophobicContact CD2-CB 4.44Å; L672-I732 HydrophobicContact CD2-CD1 3.68Å; L672-I732 HydrophobicContact CD2-CG1 3.89Å; L672-Y738 HydrophobicContact CD1-CE1 3.7Å; L672-F757 HydrophobicContact CD1-CE2 4.31Å; L672-F757 HydrophobicContact CD1-CZ 3.87Å; L672-V765 HydrophobicContact CB-CG1 4.44Å
673	L	97.8	Very high	96.4	Very high	13 Å²	13	22 Å²	22	7%	0.068	11%	0.108	C	C	.	.	H	α-helix	trans	-63.9	-41.1	175.9	-62.1	176.7	0	0	0	111.4	P631 H669 Q670 M671 A676 L677 R761 L764 V765	P631-L673 HydrophobicContact CB-CB 4.24Å; P631-L673 HydrophobicContact CG-CB 4.41Å; H669-L673 WeakPolarHBondContact O-CG 3.29Å; H669-L673 PolarHBondContact O-N 3.33Å; Q670-L673 PolarHBondContact O-N 3.08Å; M671-L673 VanDerWaalsContact C-N 3.35Å; M671-L673 PolarHBondContact O-N 3.04Å; L673-A676 PolarHBondContact O-N 2.83Å; L673-L677 WeakPolarHBondContact O-CB 3.39Å; L673-L677 VanDerWaalsContact O-CG 3.23Å; L673-L677 WeakPolarHBondContact O-CG 3.27Å; L673-L677 PolarHBondContact O-N 3.44Å; L673-R761 HydrophobicContact CD2-CB 4.13Å; L673-R761 HydrophobicContact CD2-CG 3.95Å; L673-L764 HydrophobicContact CD2-CD2 4.1Å; L673-V765 HydrophobicContact CD2-CG1 4.15Å
674	A	98	Very high	96.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.4	-46.6	178.9	0	0	0	0	0	111.7	W625 P631 F634 Q670 M671 L672 L677 A678	W625-A674 HydrophobicContact CH2-CB 4.06Å; W625-A674 HydrophobicContact CZ3-CB 3.6Å; P631-A674 HydrophobicContact CB-CB 3.86Å; P631-A674 HydrophobicContact CG-CB 4.42Å; F634-A674 HydrophobicContact CB-CB 4.2Å; F634-A674 HydrophobicContact CD1-CB 3.71Å; F634-A674 HydrophobicContact CE1-CB 4.48Å; F634-A674 HydrophobicContact CG-CB 4.18Å; Q670-A674 WeakPolarHBondContact O-CB 3.27Å; Q670-A674 PolarHBondContact O-N 3.49Å; M671-A674 WeakPolarHBondContact O-CB 3.36Å; M671-A674 PolarHBondContact O-N 2.03Å; L672-A674 VanDerWaalsContact C-N 3.35Å; A674-L677 PolarHBondContact O-N 3.31Å; A674-A678 WeakPolarHBondContact O-CB 3.46Å; A674-A678 PolarHBondContact O-N 3.11Å
675	H	98.5	Very high	97.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57.2	-50.7	172.9	162.6	70.2	0	0	0	111.2	T654 L655 M671 L677 A678 W679 I732 T768	T654-H675 PolarHBondContact OG1-ND1 3.23Å; L655-H675 HydrophobicContact CD1-CB 4Å; L655-H675 HydrophobicContact CG-CB 4.48Å; M671-H675 WeakPolarHBondContact O-CB 3.49Å; M671-H675 PolarHBondContact O-N 2.94Å; H675-L677 PolarHBondContact O-N 3.24Å; H675-A678 PolarHBondContact O-N 3.28Å; H675-W679 WeakPolarHBondContact O-CB 3.48Å; H675-W679 PolarHBondContact O-N 3.15Å; H675-I732 VanDerWaalsContact CD2-CD1 3.45Å; H675-I732 WeakPolarHBondContact CD2-CD1 3.46Å; H675-T768 PolarHBondContact CD2-OG1 2.81Å; H675-T768 PolarHBondContact CE1-O 3.32Å; H675-T768 PolarHBondContact NE2-O 2.93Å; H675-T768 PolarHBondContact NE2-OG1 3.44Å; H675-T768 VanDerWaalsContact NE2-OG1 3.1Å
676	A	98.6	Very high	97.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.5	-45	-178.3	0	0	0	0	0	112.1	L672 L673 A678 W679 R680 L764 V765 T768	L672-A676 WeakPolarHBondContact O-CB 3.49Å; L672-A676 PolarHBondContact O-N 2.83Å; L673-A676 PolarHBondContact O-N 2.83Å; A676-A678 PolarHBondContact O-N 2.59Å; A676-W679 PolarHBondContact O-N 3.02Å; A676-R680 WeakPolarHBondContact O-CB 3.4Å; A676-R680 WeakPolarHBondContact O-CG 3.3Å; A676-R680 PolarHBondContact O-N 2.93Å; A676-L764 HydrophobicContact CB-CG 4Å; A676-V765 HydrophobicContact CB-CB 4.32Å; A676-V765 HydrophobicContact CB-CG1 3.89Å; A676-T768 HydrophobicContact CB-CG2 3.94Å
677	L	98.6	Very high	97.5	Very high	57 Å²	57	28.9 Å²	28.9	30%	0.298	13%	0.133	S	C	.	.	H	α-helix	trans	-61.9	-43.2	176.5	-70.6	170.1	0	0	0	112	P631 A635 L673 A674 H675 A681 L764	P631-L677 HydrophobicContact CB-CD1 4.05Å; A635-L677 HydrophobicContact CB-CB 3.69Å; L673-L677 WeakPolarHBondContact O-CB 3.39Å; L673-L677 VanDerWaalsContact O-CG 3.23Å; L673-L677 WeakPolarHBondContact O-CG 3.27Å; L673-L677 PolarHBondContact O-N 3.44Å; A674-L677 PolarHBondContact O-N 3.31Å; H675-L677 PolarHBondContact O-N 3.24Å; L677-A681 WeakPolarHBondContact O-CB 3.41Å; L677-A681 PolarHBondContact O-N 3.03Å; L677-L764 HydrophobicContact CD2-CD1 4.25Å; L677-L764 HydrophobicContact CD2-CD2 4.16Å; L677-L764 HydrophobicContact CG-CD2 4.35Å
678	A	98.6	Very high	97.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.6	-38.2	177.4	0	0	0	0	0	112.5	F634 A638 Y642 T654 A674 H675 A676 Y682	F634-A678 HydrophobicContact CD1-CB 4.11Å; F634-A678 HydrophobicContact CE1-CB 3.74Å; A638-A678 HydrophobicContact CB-CB 3.74Å; Y642-A678 WeakPolarHBondContact CE2-O 3.42Å; Y642-A678 PolarHBondContact OH-O 3.27Å; T654-A678 HydrophobicContact CG2-CB 4.06Å; A674-A678 WeakPolarHBondContact O-CB 3.46Å; A674-A678 PolarHBondContact O-N 3.11Å; H675-A678 PolarHBondContact O-N 3.28Å; A676-A678 PolarHBondContact O-N 2.59Å; A678-Y682 PolarHBondContact O-N 3.04Å; A678-Y682 VanDerWaalsContact O-N 3.16Å
679	W	98.8	Very high	97.6	Very high	18 Å²	18	40.3 Å²	40.3	7%	0.068	19%	0.194	C	C	.	.	H	α-helix	trans	-67	-46.9	175.7	-175.8	97.4	0	0	0	111.3	H675 A676 A681 Y682 D683 V694 T768 D770	H675-W679 WeakPolarHBondContact O-CB 3.48Å; H675-W679 PolarHBondContact O-N 3.15Å; A676-W679 PolarHBondContact O-N 3.02Å; W679-A681 VanDerWaalsContact C-N 3.32Å; W679-A681 PolarHBondContact O-N 3.28Å; W679-Y682 WeakPolarHBondContact O-CB 3.06Å; W679-Y682 PolarHBondContact O-N 2.9Å; W679-Y682 VanDerWaalsContact O-N 3.13Å; W679-D683 HydrophobicContact CE3-CB 4.09Å; W679-D683 HydrophobicContact CH2-CB 4.07Å; W679-D683 HydrophobicContact CZ3-CB 3.81Å; W679-D683 WeakPolarHBondContact O-CB 3.34Å; W679-D683 PolarHBondContact O-N 3.49Å; W679-V694 PolarHBondContact NE1-O 3.35Å; W679-T768 VanDerWaalsContact CD1-C 3.47Å; W679-T768 HydrophobicContact CD2-CG2 4.22Å; W679-T768 HydrophobicContact CE3-CG2 3.78Å; W679-T768 HydrophobicContact CZ3-CG2 4.4Å; W679-D770 WeakPolarHBondContact CZ2-OD1 3.33Å; W679-D770 PolarHBondContact NE1-OD1 2.74Å
680	R	98.4	Very high	97.6	Very high	64 Å²	64	41 Å²	41	24%	0.242	20%	0.198	C	C	.	.	H	α-helix	trans	-62.3	-39.7	178.6	-65.2	-79.6	-178.7	-161.7	-2.3	111.3	A676 Y682 D683 Q684 Q763 L764 R766 T768	A676-R680 WeakPolarHBondContact O-CB 3.4Å; A676-R680 WeakPolarHBondContact O-CG 3.3Å; A676-R680 PolarHBondContact O-N 2.93Å; R680-Y682 PolarHBondContact O-N 3.31Å; R680-D683 PolarHBondContact O-N 3.14Å; R680-Q684 WeakPolarHBondContact O-CB 3.14Å; R680-Q684 VanDerWaalsContact O-CG 3.25Å; R680-Q684 WeakPolarHBondContact O-CG 3.5Å; R680-Q684 PolarHBondContact O-N 2.84Å; R680-Q763 PolarHBondContact NH2-O 3.39Å; R680-L764 HydrophobicContact CG-CD1 4.15Å; R680-L764 PolarHBondContact NE-O 3Å; R680-L764 PolarHBondContact NH2-O 3.36Å; R680-R766 PolarHBondContact NH2-O 3.35Å; R680-R766 VanDerWaalsContact NH2-O 3.08Å; R680-T768 HydrophobicContact CG-CG2 4.32Å
681	A	98.2	Very high	97.5	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-60	-44.3	173.7	0	0	0	0	0	111.6	R639 L677 W679 E685	R639-A681 HydrophobicContact CG-CB 3.99Å; L677-A681 WeakPolarHBondContact O-CB 3.41Å; L677-A681 PolarHBondContact O-N 3.03Å; W679-A681 VanDerWaalsContact C-N 3.32Å; W679-A681 PolarHBondContact O-N 3.28Å; A681-E685 VanDerWaalsContact O-CB 3.24Å; A681-E685 WeakPolarHBondContact O-CB 3.48Å; A681-E685 WeakPolarHBondContact O-CG 3.29Å; A681-E685 PolarHBondContact O-N 3.13Å
682	Y	98.6	Very high	97.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.23	C	C	.	.	I	π-helix	trans	-61.6	-49.3	174.6	-168.8	-92.5	0	0	0	112.2	Y642 W652 A678 W679 R680 Q684 F686 R687 Q690 G692 V694	Y642-Y682 AromaticContact CD1-CD2 3.75Å; Y642-Y682 HydrophobicContact CD1-CD2 3.75Å; Y642-Y682 HydrophobicContact CD1-CE2 4.18Å; Y642-Y682 AromaticContact CD2-CD2 3.74Å; Y642-Y682 HydrophobicContact CD2-CD2 3.74Å; Y642-Y682 HydrophobicContact CD2-CG 4.47Å; Y642-Y682 AromaticContact CE1-CD2 3.88Å; Y642-Y682 HydrophobicContact CE1-CD2 3.88Å; Y642-Y682 AromaticContact CE2-CD2 3.87Å; Y642-Y682 HydrophobicContact CE2-CD2 3.87Å; Y642-Y682 HydrophobicContact CE2-CG 4.29Å; Y642-Y682 AromaticContact CG-CD2 3.68Å; Y642-Y682 HydrophobicContact CG-CD2 3.68Å; Y642-Y682 HydrophobicContact CG-CE2 4.28Å; Y642-Y682 AromaticContact CZ-CD2 3.93Å; W652-Y682 AromaticContact CD1-CE2 3.92Å; W652-Y682 AromaticContact NE1-CE2 3.78Å; A678-Y682 PolarHBondContact O-N 3.04Å; A678-Y682 VanDerWaalsContact O-N 3.16Å; W679-Y682 WeakPolarHBondContact O-CB 3.06Å; W679-Y682 PolarHBondContact O-N 2.9Å; W679-Y682 VanDerWaalsContact O-N 3.13Å; R680-Y682 PolarHBondContact O-N 3.31Å; Y682-Q684 VanDerWaalsContact C-N 3.35Å; Y682-Q684 PolarHBondContact O-N 3.28Å; Y682-F686 HydrophobicContact CD2-CB 3.92Å; Y682-F686 HydrophobicContact CE2-CB 3.96Å; Y682-F686 HydrophobicContact CG-CB 4.37Å; Y682-F686 CarbonylContact O-C 3.59Å; Y682-F686 WeakPolarHBondContact O-CA 3.47Å; Y682-F686 PolarHBondContact O-N 2.87Å; Y682-R687 HydrophobicContact CD1-CB 4.17Å; Y682-R687 HydrophobicContact CE1-CB 4.09Å; Y682-R687 HydrophobicContact CE1-CG 4.36Å; Y682-R687 PolarHBondContact O-N 2.94Å; Y682-Q690 VanDerWaalsContact CE2-OE1 3.27Å; Y682-Q690 WeakPolarHBondContact OH-CB 3.37Å; Y682-Q690 PolarHBondContact OH-OE1 3.33Å; Y682-G692 WeakPolarHBondContact CE1-O 3.37Å; Y682-G692 WeakPolarHBondContact OH-CA 3.26Å; Y682-G692 PolarHBondContact OH-N 2.87Å; Y682-V694 HydrophobicContact CD1-CG2 3.34Å; Y682-V694 HydrophobicContact CD2-CG2 3.79Å; Y682-V694 HydrophobicContact CE1-CG2 3.87Å; Y682-V694 HydrophobicContact CE2-CG2 4.27Å; Y682-V694 HydrophobicContact CG-CG2 3.3Å
683	D	98.3	Very high	97.5	Very high	55 Å²	55	54.1 Å²	54.1	29%	0.294	25%	0.246	S	C	.	.	I	π-helix	trans	-58.1	-46.2	-176.9	-173	59.5	0	0	0	112.3	W679 R680 R687	W679-D683 HydrophobicContact CE3-CB 4.09Å; W679-D683 HydrophobicContact CH2-CB 4.07Å; W679-D683 HydrophobicContact CZ3-CB 3.81Å; W679-D683 WeakPolarHBondContact O-CB 3.34Å; W679-D683 PolarHBondContact O-N 3.49Å; R680-D683 PolarHBondContact O-N 3.14Å; D683-R687 WeakPolarHBondContact O-CB 3.31Å; D683-R687 WeakPolarHBondContact OD1-CD 3.4Å; D683-R687 IonicContact OD1-CZ 3.9Å; D683-R687 IonicContact OD1-NE 3.54Å; D683-R687 PolarHBondContact OD1-NE 2.91Å; D683-R687 IonicContact OD1-NH2 3.18Å
684	Q	97.8	Very high	97.5	Very high	136 Å²	136	53.5 Å²	53.5	64%	0.636	24%	0.243	S	C	*	.	I	π-helix	trans	-80.7	-41.4	-175.4	-66.6	172	-5.1	0	0	112.9	R680 Y682	R680-Q684 WeakPolarHBondContact O-CB 3.14Å; R680-Q684 VanDerWaalsContact O-CG 3.25Å; R680-Q684 WeakPolarHBondContact O-CG 3.5Å; R680-Q684 PolarHBondContact O-N 2.84Å; Y682-Q684 VanDerWaalsContact C-N 3.35Å; Y682-Q684 PolarHBondContact O-N 3.28Å
685	E	98.1	Very high	97.6	Very high	93 Å²	93	53.5 Å²	53.5	44%	0.435	24%	0.243	S	C	.	.	I	π-helix	trans	-100.5	-28.1	-167.7	-56.2	170	-144.8	0	0	112.9	R639 A681	R639-E685 IonicContact CZ-OE1 3.67Å; R639-E685 IonicContact NE-OE1 3.64Å; R639-E685 PolarHBondContact NE-OE1 3Å; R639-E685 IonicContact NE-OE2 2.92Å; R639-E685 PolarHBondContact NE-OE2 3.34Å; R639-E685 IonicContact NH2-OE1 2.65Å; R639-E685 PolarHBondContact NH2-OE1 3.04Å; R639-E685 VanDerWaalsContact NH2-OE1 3.1Å; A681-E685 VanDerWaalsContact O-CB 3.24Å; A681-E685 WeakPolarHBondContact O-CB 3.48Å; A681-E685 WeakPolarHBondContact O-CG 3.29Å; A681-E685 PolarHBondContact O-N 3.13Å
686	F	97.9	Very high	97.5	Very high	26 Å²	26	53.6 Å²	53.6	11%	0.114	24%	0.244	C	C	.	.	I	π-helix	trans	-124.7	-27.7	-166.4	-60.5	-81.1	0	0	0	114.8	R639 Y642 R643 Y682 Q688 T689 Q690	R639-F686 HydrophobicContact CB-CE2 4.45Å; R639-F686 HydrophobicContact CG-CE2 4.26Å; Y642-F686 AromaticContact CD2-CD2 3.95Å; Y642-F686 HydrophobicContact CD2-CD2 3.95Å; Y642-F686 HydrophobicContact CD2-CE2 4.08Å; Y642-F686 HydrophobicContact CG-CD2 4.41Å; R643-F686 HydrophobicContact CB-CE1 4.08Å; R643-F686 HydrophobicContact CB-CZ 4.4Å; Y682-F686 HydrophobicContact CD2-CB 3.92Å; Y682-F686 HydrophobicContact CE2-CB 3.96Å; Y682-F686 HydrophobicContact CG-CB 4.37Å; Y682-F686 CarbonylContact O-C 3.59Å; Y682-F686 WeakPolarHBondContact O-CA 3.47Å; Y682-F686 PolarHBondContact O-N 2.87Å; F686-Q688 VanDerWaalsContact C-N 3.34Å; F686-Q688 PolarHBondContact O-N 3.44Å; F686-T689 PolarHBondContact O-N 2.87Å; F686-T689 PolarHBondContact O-OG1 3.12Å; F686-T689 VanDerWaalsContact O-OG1 3.06Å; F686-Q690 HydrophobicContact CB-CG 4.36Å; F686-Q690 WeakPolarHBondContact O-CB 3.47Å; F686-Q690 WeakPolarHBondContact O-CG 3.21Å; F686-Q690 PolarHBondContact O-N 3.36Å
687	R	96.9	Very high	97.5	Very high	51 Å²	51	53.6 Å²	53.6	19%	0.192	24%	0.244	C	C	.	.	H	α-helix	trans	-59.3	-41.1	-170.6	-172.2	179	-62.3	-84.8	13.2	113.5	Y682 D683 T689 R691 G692 D770	Y682-R687 HydrophobicContact CD1-CB 4.17Å; Y682-R687 HydrophobicContact CE1-CB 4.09Å; Y682-R687 HydrophobicContact CE1-CG 4.36Å; Y682-R687 PolarHBondContact O-N 2.94Å; D683-R687 WeakPolarHBondContact O-CB 3.31Å; D683-R687 WeakPolarHBondContact OD1-CD 3.4Å; D683-R687 IonicContact OD1-CZ 3.9Å; D683-R687 IonicContact OD1-NE 3.54Å; D683-R687 PolarHBondContact OD1-NE 2.91Å; D683-R687 IonicContact OD1-NH2 3.18Å; R687-T689 VanDerWaalsContact C-N 3.32Å; R687-T689 PolarHBondContact O-N 3.1Å; R687-R691 VanDerWaalsContact O-CA 3.27Å; R687-R691 WeakPolarHBondContact O-CA 3.35Å; R687-R691 PolarHBondContact O-N 3.21Å; R687-G692 PolarHBondContact NH1-O 2.91Å; R687-G692 VanDerWaalsContact NH1-O 3.16Å; R687-D770 IonicContact CZ-OD1 2.86Å; R687-D770 IonicContact CZ-OD2 2.77Å; R687-D770 VanDerWaalsContact CZ-OD2 3.28Å; R687-D770 IonicContact NH1-OD1 3.58Å; R687-D770 PolarHBondContact NH1-OD1 2.76Å; R687-D770 IonicContact NH1-OD2 3.52Å; R687-D770 PolarHBondContact NH1-OD2 3.42Å; R687-D770 VanDerWaalsContact NH2-CG 3.3Å; R687-D770 IonicContact NH2-OD1 2.66Å; R687-D770 PolarHBondContact NH2-OD1 2.97Å; R687-D770 IonicContact NH2-OD2 3.41Å; R687-D770 PolarHBondContact NH2-OD2 2.98Å
688	Q	95.1	Very high	97.4	Very high	176 Å²	176	50.9 Å²	50.9	82%	0.822	23%	0.23	S	C	*	.	H	α-helix	trans	-63.4	-37.3	-178.1	-64.9	-172	0	0	0	113	F686	F686-Q688 VanDerWaalsContact C-N 3.34Å; F686-Q688 PolarHBondContact O-N 3.44Å
689	T	95.6	Very high	97.3	Very high	116 Å²	116	52.8 Å²	52.8	71%	0.712	24%	0.238	S	C	*	.	H	α-helix	trans	-88.2	-40.1	-177.4	54.9	0	0	0	0	111.9	F686 R687	F686-T689 PolarHBondContact O-N 2.87Å; F686-T689 PolarHBondContact O-OG1 3.12Å; F686-T689 VanDerWaalsContact O-OG1 3.06Å; R687-T689 VanDerWaalsContact C-N 3.32Å; R687-T689 PolarHBondContact O-N 3.1Å
690	Q	95.9	Very high	97.2	Very high	21 Å²	21	52 Å²	52	10%	0.098	24%	0.235	C	C	.	.	H	α-helix	trans	-92.1	-27.1	-172.5	-60.9	-174.7	-2.3	0	0	113.5	Y642 G646 K650 Y682 F686 G692	Y642-Q690 PolarHBondContact O-NE2 3.2Å; G646-Q690 VanDerWaalsContact CA-OE1 3.3Å; K650-Q690 WeakPolarHBondContact CD-O 3.31Å; K650-Q690 WeakPolarHBondContact CE-O 3.27Å; K650-Q690 PolarHBondContact NZ-O 3.16Å; Y682-Q690 VanDerWaalsContact CE2-OE1 3.27Å; Y682-Q690 WeakPolarHBondContact OH-CB 3.37Å; Y682-Q690 PolarHBondContact OH-OE1 3.33Å; F686-Q690 HydrophobicContact CB-CG 4.36Å; F686-Q690 WeakPolarHBondContact O-CB 3.47Å; F686-Q690 WeakPolarHBondContact O-CG 3.21Å; F686-Q690 PolarHBondContact O-N 3.36Å; Q690-G692 PolarHBondContact O-N 2.89Å
691	R	95	Very high	97	Very high	215 Å²	215	49.6 Å²	49.6	81%	0.811	23%	0.227	S	C	*	.			trans	53.1	28.9	-178.6	-55.9	-177	178.9	-175.1	-2.6	114.4	R687	R687-R691 VanDerWaalsContact O-CA 3.27Å; R687-R691 WeakPolarHBondContact O-CA 3.35Å; R687-R691 PolarHBondContact O-N 3.21Å
692	G	95.4	Very high	96.9	Very high	3 Å²	3	50.8 Å²	50.8	3%	0.031	23%	0.232	C	C	.	.			trans	-86.6	180	173.6	0	0	0	0	0	112.4	K650 Y682 R687 Q690	K650-G692 CarbonylContact O-C 3.53Å; K650-G692 WeakPolarHBondContact O-CA 3.35Å; Y682-G692 WeakPolarHBondContact CE1-O 3.37Å; Y682-G692 WeakPolarHBondContact OH-CA 3.26Å; Y682-G692 PolarHBondContact OH-N 2.87Å; R687-G692 PolarHBondContact NH1-O 2.91Å; R687-G692 VanDerWaalsContact NH1-O 3.16Å; Q690-G692 PolarHBondContact O-N 2.89Å
693	R	97.8	Very high	96.8	Very high	91 Å²	91	50.9 Å²	50.9	34%	0.343	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	147.8	178.4	-66.7	176.9	-70.7	172.5	2.5	111.2	K650 M651 W652 D770 F771 Y835	K650-R693 PolarHBondContact O-N 3.27Å; M651-R693 CarbonylContact C-O 3.56Å; M651-R693 WeakPolarHBondContact CA-O 3.47Å; W652-R693 PolarHBondContact N-O 2.89Å; R693-D770 WeakPolarHBondContact CA-OD2 3.24Å; R693-D770 HydrophobicContact CB-CB 3.84Å; R693-D770 HydrophobicContact CG-CB 4.1Å; R693-F771 HydrophobicContact CB-CD1 4Å; R693-F771 HydrophobicContact CB-CE1 3.8Å; R693-Y835 PolarHBondContact NH1-OH 2.57Å; R693-Y835 VanDerWaalsContact NH1-OH 3.08Å; R693-Y835 PolarHBondContact NH2-OH 2.57Å
694	V	98.6	Very high	96.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	134.9	-177.4	-171.6	0	0	0	0	109.7	W652 T654 W679 Y682 D770	W652-V694 HydrophobicContact CB-CB 4.39Å; W652-V694 HydrophobicContact CB-CG1 4.21Å; W652-V694 HydrophobicContact CB-CG2 4.02Å; W652-V694 HydrophobicContact CG-CG2 4.39Å; W652-V694 WeakPolarHBondContact O-CA 3.43Å; T654-V694 HydrophobicContact CG2-CG1 3.64Å; W679-V694 PolarHBondContact NE1-O 3.35Å; Y682-V694 HydrophobicContact CD1-CG2 3.34Å; Y682-V694 HydrophobicContact CD2-CG2 3.79Å; Y682-V694 HydrophobicContact CE1-CG2 3.87Å; Y682-V694 HydrophobicContact CE2-CG2 4.27Å; Y682-V694 HydrophobicContact CG-CG2 3.3Å; V694-D770 PolarHBondContact N-OD2 2.97Å; V694-D770 WeakPolarHBondContact O-CB 3.39Å; V694-D770 PolarHBondContact O-N 3.05Å; V694-D770 VanDerWaalsContact O-N 3.1Å
695	S	98.3	Very high	96.4	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	-169.5	168.2	-161	0	0	0	0	110.3	W652 I653 T654 F771	W652-S695 PolarHBondContact O-N 3.45Å; I653-S695 CarbonylContact C-O 3.48Å; I653-S695 VanDerWaalsContact CA-O 3.28Å; I653-S695 WeakPolarHBondContact CA-O 3.41Å; T654-S695 PolarHBondContact N-O 2.82Å; T654-S695 PolarHBondContact OG1-O 2.87Å; S695-F771 VanDerWaalsContact CB-O 3.24Å; S695-F771 WeakPolarHBondContact CB-O 3.18Å; S695-F771 PolarHBondContact OG-O 3.37Å
696	L	97.8	Very high	96	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	160.6	164.3	75.4	171.9	0	0	0	110	L698 I732 F733 A773	L696-L698 HydrophobicContact CD1-CD2 3.78Å; L696-L698 HydrophobicContact CD1-CG 4.4Å; L696-L698 HydrophobicContact CG-CD2 4.23Å; L696-L698 HydrophobicContact CG-CG 4.37Å; L696-I732 HydrophobicContact CD1-CD1 3.48Å; L696-I732 VanDerWaalsContact CD1-CD1 3.48Å; L696-I732 HydrophobicContact CD2-CD1 3.51Å; L696-I732 HydrophobicContact CD2-CG2 4.31Å; L696-I732 HydrophobicContact CG-CD1 4.15Å; L696-F733 HydrophobicContact CD2-CE2 3.92Å; L696-F733 HydrophobicContact CD2-CZ 3.94Å; L696-A773 VanDerWaalsContact O-CB 3.27Å; L696-A773 WeakPolarHBondContact O-CB 3.48Å
697	A	97.3	Very high	95.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125.4	174.3	0	0	0	0	0	110	I653 L655 N656 E657 P658 A773	I653-A697 HydrophobicContact CD1-CB 4.42Å; I653-A697 HydrophobicContact CG2-CB 3.79Å; L655-A697 PolarHBondContact O-N 3.13Å; N656-A697 VanDerWaalsContact OD1-CB 3.29Å; N656-A697 WeakPolarHBondContact OD1-CB 3.4Å; E657-A697 WeakPolarHBondContact CA-O 3.43Å; E657-A697 PolarHBondContact N-O 2.94Å; P658-A697 VanDerWaalsContact CD-O 3.31Å; P658-A697 WeakPolarHBondContact CD-O 3.38Å; A697-A773 WeakPolarHBondContact CA-O 3.23Å; A697-A773 HydrophobicContact CB-CB 4.02Å
698	L	97.4	Very high	94.4	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	136.6	-179.4	-62.6	177.4	0	0	0	110.9	P658 L696 M700 V725 L728 A729 F772 A773 M774 S775	P658-L698 HydrophobicContact CG-CD2 4.32Å; L696-L698 HydrophobicContact CD1-CD2 3.78Å; L696-L698 HydrophobicContact CD1-CG 4.4Å; L696-L698 HydrophobicContact CG-CD2 4.23Å; L696-L698 HydrophobicContact CG-CG 4.37Å; L698-M700 PolarHBondContact O-N 2.95Å; L698-V725 HydrophobicContact CD1-CG1 4.45Å; L698-L728 HydrophobicContact CD2-CB 3.89Å; L698-L728 HydrophobicContact CD2-CD1 4.25Å; L698-A729 HydrophobicContact CD1-CB 3.7Å; L698-F772 HydrophobicContact CD1-CZ 4.23Å; L698-A773 PolarHBondContact N-O 3.02Å; L698-M774 CarbonylContact O-C 3.46Å; L698-M774 WeakPolarHBondContact O-CA 3.44Å; L698-S775 PolarHBondContact O-N 3.39Å
699	H	96.2	Very high	93.4	Very high	40 Å²	40	39.9 Å²	39.9	19%	0.185	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	120.4	167.8	178.1	70.6	0	0	0	109	E657 N659 D701 F777	E657-H699 HydrophobicContact CB-CB 4.1Å; E657-H699 HydrophobicContact CG-CB 3.96Å; N659-H699 PolarHBondContact ND2-O 2.69Å; N659-H699 PolarHBondContact OD1-N 3.5Å; H699-D701 IonicContact CE1-OD1 2.81Å; H699-D701 PolarHBondContact CE1-OD1 3.08Å; H699-D701 IonicContact CE1-OD2 3.51Å; H699-D701 PolarHBondContact CE1-OD2 3.04Å; H699-D701 VanDerWaalsContact NE2-CG 3.27Å; H699-D701 IonicContact NE2-OD1 3.36Å; H699-D701 IonicContact NE2-OD2 3.1Å; H699-D701 PolarHBondContact NE2-OD2 3.28Å; H699-F777 AromaticContact CE1-CD2 3.81Å; H699-F777 AromaticContact ND1-CD2 3.88Å
700	M	95.8	Very high	92.4	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	16%	0.159	C	C	.	.			trans	-137.4	72.3	-174.6	-177.5	168.8	-175.6	0	0	109.8	L698 V725 F772 M774 S775 H776 A821 W824 V825	L698-M700 PolarHBondContact O-N 2.95Å; M700-V725 HydrophobicContact CB-CG2 4.05Å; M700-V725 HydrophobicContact CE-CG1 4.48Å; M700-V725 HydrophobicContact CG-CG1 4.34Å; M700-V725 HydrophobicContact CG-CG2 3.73Å; M700-V725 HydrophobicContact SD-CG1 3.9Å; M700-V725 HydrophobicContact SD-CG2 4.31Å; M700-F772 HydrophobicContact SD-CE1 4.45Å; M700-M774 HydrophobicContact CB-CB 4.43Å; M700-M774 HydrophobicContact CB-CE 3.84Å; M700-M774 HydrophobicContact CG-CE 3.82Å; M700-M774 HydrophobicContact SD-CE 3.77Å; M700-S775 PolarHBondContact N-O 2.72Å; M700-H776 PolarHBondContact O-ND1 2.78Å; M700-A821 HydrophobicContact CE-CB 3.85Å; M700-A821 HydrophobicContact CG-CB 4.34Å; M700-A821 HydrophobicContact SD-CB 4.36Å; M700-W824 HydrophobicContact CE-CB 4.27Å; M700-W824 HydrophobicContact CE-CD2 3.94Å; M700-W824 HydrophobicContact CE-CE3 3.38Å; M700-W824 HydrophobicContact CE-CG 4.33Å; M700-W824 HydrophobicContact CE-CZ3 4Å; M700-W824 HydrophobicContact SD-CE3 4.45Å; M700-V825 HydrophobicContact CE-CG2 4.04Å; M700-V825 HydrophobicContact SD-CG2 3.76Å
701	D	95	Very high	91.5	Very high	13 Å²	13	43.6 Å²	43.6	7%	0.07	19%	0.19	C	C	.	.			trans	-66	139.6	159.7	-76.4	-23	0	0	0	109.2	H699 F777 S778 R811	H699-D701 IonicContact CE1-OD1 2.81Å; H699-D701 PolarHBondContact CE1-OD1 3.08Å; H699-D701 IonicContact CE1-OD2 3.51Å; H699-D701 PolarHBondContact CE1-OD2 3.04Å; H699-D701 VanDerWaalsContact NE2-CG 3.27Å; H699-D701 IonicContact NE2-OD1 3.36Å; H699-D701 IonicContact NE2-OD2 3.1Å; H699-D701 PolarHBondContact NE2-OD2 3.28Å; D701-F777 PolarHBondContact OD1-N 2.89Å; D701-S778 WeakPolarHBondContact CA-O 3.1Å; D701-S778 WeakPolarHBondContact CB-O 3.17Å; D701-S778 PolarHBondContact OD1-N 3.42Å; D701-R811 IonicContact OD2-NH1 3.62Å; D701-R811 PolarHBondContact OD2-NH1 3.11Å
702	W	96.8	Very high	90.8	Very high	26 Å²	26	38.9 Å²	38.9	10%	0.098	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	151.2	179.9	-179.6	-115.7	0	0	0	110.5	E704 L721 S778 T779 K780 K820 A821 W824	W702-E704 PolarHBondContact NE1-OE2 3.24Å; W702-L721 HydrophobicContact CE3-CD1 4.15Å; W702-L721 HydrophobicContact CE3-CD2 4.23Å; W702-L721 HydrophobicContact CH2-CD1 3.82Å; W702-L721 HydrophobicContact CZ3-CD1 3.52Å; W702-L721 HydrophobicContact CZ3-CD2 4.32Å; W702-S778 PolarHBondContact N-O 3.44Å; W702-T779 HydrophobicContact CB-CG2 4.23Å; W702-T779 HydrophobicContact CG-CG2 4.29Å; W702-T779 CarbonylContact O-C 3.6Å; W702-T779 VanDerWaalsContact O-CA 3.25Å; W702-T779 WeakPolarHBondContact O-CA 3.28Å; W702-K780 PolarHBondContact O-N 3.28Å; W702-K820 HydrophobicContact CD2-CB 3.76Å; W702-K820 VanDerWaalsContact CE2-CB 3.5Å; W702-K820 HydrophobicContact CE3-CB 4.34Å; W702-K820 HydrophobicContact CG-CB 4.09Å; W702-K820 HydrophobicContact CH2-CB 4.44Å; W702-K820 HydrophobicContact CZ2-CB 3.88Å; W702-A821 HydrophobicContact CB-CB 4.44Å; W702-A821 HydrophobicContact CE3-CB 4.11Å; W702-W824 HydrophobicContact CH2-CB 4.17Å; W702-W824 HydrophobicContact CH2-CG 4.35Å; W702-W824 HydrophobicContact CZ3-CB 3.66Å; W702-W824 AromaticContact CZ3-CD1 3.87Å; W702-W824 AromaticContact CZ3-CG 3.85Å; W702-W824 HydrophobicContact CZ3-CG 3.85Å
703	V	95.4	Very high	90.1	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	119.7	176.5	-176.3	0	0	0	0	108.3	A717 V720 L721 K780 V782	V703-A717 HydrophobicContact CG1-CB 4.15Å; V703-V720 HydrophobicContact CG1-CB 4.19Å; V703-V720 HydrophobicContact CG1-CG1 4.26Å; V703-V720 HydrophobicContact CG2-CB 4.39Å; V703-V720 HydrophobicContact CG2-CG1 3.76Å; V703-L721 HydrophobicContact CB-CD2 4.18Å; V703-L721 HydrophobicContact CB-CG 4.15Å; V703-L721 HydrophobicContact CG2-CD2 4.05Å; V703-L721 HydrophobicContact CG2-CG 4.38Å; V703-K780 WeakPolarHBondContact CA-O 3.29Å; V703-V782 HydrophobicContact CG1-CB 4.23Å; V703-V782 HydrophobicContact CG1-CG1 3.69Å; V703-V782 HydrophobicContact CG1-CG2 3.49Å; V703-V782 VanDerWaalsContact CG1-CG2 3.49Å
704	E	94.6	Very high	89.6	Confident	32 Å²	32	37.3 Å²	37.3	15%	0.15	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	138.8	-179.1	-171.5	76.2	-155.5	0	0	109.4	W702 T779 K780 L781 V782 W816	W702-E704 PolarHBondContact NE1-OE2 3.24Å; E704-T779 HydrophobicContact CB-CG2 4.12Å; E704-K780 PolarHBondContact N-O 3.06Å; E704-L781 HydrophobicContact CB-CD2 3.79Å; E704-L781 HydrophobicContact CG-CD2 4.06Å; E704-L781 VanDerWaalsContact O-CA 3.29Å; E704-L781 WeakPolarHBondContact O-CA 3.33Å; E704-V782 PolarHBondContact O-N 2.54Å; E704-W816 HydrophobicContact CB-CH2 4.26Å; E704-W816 HydrophobicContact CG-CH2 4.01Å; E704-W816 HydrophobicContact CG-CZ3 4.3Å
705	P	93.9	Very high	89	Confident	15 Å²	15	41.6 Å²	41.6	10%	0.097	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	139.4	170.6	26.2	-35.4	0	0	0	110.6	F707 D713 V714 A717 V782	P705-F707 PolarHBondContact O-N 2.95Å; P705-D713 HydrophobicContact CB-CB 3.82Å; P705-V714 HydrophobicContact CB-CG2 4.37Å; P705-V714 HydrophobicContact CG-CG2 4.21Å; P705-A717 HydrophobicContact CB-CB 4.4Å; P705-V782 CarbonylContact C-O 3.46Å
706	A	89.5	Confident	88.6	Confident	2 Å²	2	41.8 Å²	41.8	2%	0.017	20%	0.199	C	C	.	.	S	Bend	trans	-58.9	-37.2	177.9	0	0	0	0	0	111	P394 Y398 V782 M801	P394-A706 HydrophobicContact CB-CB 3.74Å; P394-A706 HydrophobicContact CG-CB 4.23Å; Y398-A706 HydrophobicContact CE2-CB 4.27Å; Y398-A706 WeakPolarHBondContact CE2-O 3.39Å; Y398-A706 PolarHBondContact OH-O 2.81Å; A706-V782 WeakPolarHBondContact CB-O 3.31Å; A706-V782 PolarHBondContact N-O 2.88Å; A706-M801 HydrophobicContact CB-SD 4.04Å
707	F	84.9	Confident	88.4	Confident	30 Å²	30	41.9 Å²	41.9	13%	0.132	20%	0.2	C	C	.	.	S	Bend	trans	-131	102.4	170.3	-166.7	-112.7	0	0	0	111.6	M397 T458 T461 P705 F709 S710 D713	M397-F707 HydrophobicContact CE-CD2 4.26Å; M397-F707 HydrophobicContact SD-CD2 3.84Å; M397-F707 HydrophobicContact SD-CE2 4.21Å; T458-F707 HydrophobicContact CG2-CB 4.41Å; T458-F707 HydrophobicContact CG2-CD1 3.95Å; T458-F707 HydrophobicContact CG2-CE1 4.35Å; T458-F707 HydrophobicContact CG2-CG 4.1Å; T461-F707 HydrophobicContact CG2-CZ 3.95Å; P705-F707 PolarHBondContact O-N 2.95Å; F707-F709 HydrophobicContact CD1-CB 4.15Å; F707-F709 HydrophobicContact CE1-CB 3.65Å; F707-F709 HydrophobicContact CE1-CD2 4.35Å; F707-F709 HydrophobicContact CE2-CD2 4.26Å; F707-F709 HydrophobicContact CZ-CB 4.1Å; F707-F709 AromaticContact CZ-CD2 3.97Å; F707-F709 HydrophobicContact CZ-CD2 3.97Å; F707-F709 PolarHBondContact O-N 2.82Å; F707-S710 PolarHBondContact O-N 3.14Å; F707-D713 PolarHBondContact N-OD2 2.95Å; F707-D713 VanDerWaalsContact N-OD2 3.11Å
708	S	75.5	Confident	88.2	Confident	66 Å²	66	46.8 Å²	46.8	46%	0.462	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-12.4	-173.6	57.7	0	0	0	0	115.9
709	F	74.7	Confident	88	Confident	162 Å²	162	48.6 Å²	48.6	71%	0.711	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-7.9	174.4	-58.5	-78.1	0	0	0	113.4	F707	F707-F709 HydrophobicContact CD1-CB 4.15Å; F707-F709 HydrophobicContact CE1-CB 3.65Å; F707-F709 HydrophobicContact CE1-CD2 4.35Å; F707-F709 HydrophobicContact CE2-CD2 4.26Å; F707-F709 HydrophobicContact CZ-CB 4.1Å; F707-F709 AromaticContact CZ-CD2 3.97Å; F707-F709 HydrophobicContact CZ-CD2 3.97Å; F707-F709 PolarHBondContact O-N 2.82Å
710	S	75.6	Confident	87.9	Confident	16 Å²	16	46.7 Å²	46.7	11%	0.112	22%	0.219	C	C	.	.			trans	-89.7	120.1	171.3	-178.4	0	0	0	0	109.4	E392 F707 E712 D713 V714	E392-S710 PolarHBondContact OE1-OG 3.04Å; F707-S710 PolarHBondContact O-N 3.14Å; S710-E712 PolarHBondContact O-N 2.83Å; S710-E712 PolarHBondContact OG-N 3.5Å; S710-D713 PolarHBondContact O-N 2.88Å; S710-V714 WeakPolarHBondContact O-CG2 3.28Å; S710-V714 PolarHBondContact O-N 2.89Å
711	R	76	Confident	87.9	Confident	198 Å²	198	46.9 Å²	46.9	75%	0.747	22%	0.22	S	C	*	.	H	α-helix	trans	-59.8	-32.4	172.4	-174.6	-179.9	178.1	-171.5	-1.3	111.2	D713 V714 E715	R711-D713 PolarHBondContact O-N 2.89Å; R711-V714 PolarHBondContact O-N 3.26Å; R711-E715 PolarHBondContact O-N 3.26Å
712	E	80.3	Confident	87.8	Confident	117 Å²	117	47.2 Å²	47.2	55%	0.547	22%	0.222	S	C	.	.	H	α-helix	trans	-69.7	-21.2	-178.5	-56.7	-178.5	171.7	0	0	112.1	S710 P716 H784	S710-E712 PolarHBondContact O-N 2.83Å; S710-E712 PolarHBondContact OG-N 3.5Å; E712-P716 WeakPolarHBondContact O-CD 3.37Å; E712-P716 WeakPolarHBondContact O-CG 3.23Å; E712-H784 VanDerWaalsContact CB-CE1 3.43Å; E712-H784 WeakPolarHBondContact CB-CE1 3.27Å; E712-H784 WeakPolarHBondContact CB-ND1 3.37Å; E712-H784 IonicContact OE2-CE1 3.95Å; E712-H784 PolarHBondContact OE2-CE1 3.4Å; E712-H784 IonicContact OE2-NE2 3.31Å
713	D	80.4	Confident	87.7	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-91.6	-28.4	172.2	-80.9	-12	0	0	0	113.5	P705 F707 S710 R711 P716 A717 T783 H784	P705-D713 HydrophobicContact CB-CB 3.82Å; F707-D713 PolarHBondContact N-OD2 2.95Å; F707-D713 VanDerWaalsContact N-OD2 3.11Å; S710-D713 PolarHBondContact O-N 2.88Å; R711-D713 PolarHBondContact O-N 2.89Å; D713-P716 WeakPolarHBondContact O-CD 3.39Å; D713-A717 PolarHBondContact O-N 3.01Å; D713-T783 WeakPolarHBondContact OD1-CA 3.41Å; D713-T783 VanDerWaalsContact OD1-CB 3.26Å; D713-T783 WeakPolarHBondContact OD1-CB 3.27Å; D713-T783 PolarHBondContact OD1-OG1 3.08Å; D713-H784 PolarHBondContact OD1-N 2.87Å; D713-H784 IonicContact OD1-ND1 3.05Å
714	V	86.8	Confident	87.5	Confident	61 Å²	61	48.5 Å²	48.5	37%	0.37	23%	0.227	S	C	.	.	H	α-helix	trans	-68.5	-42.1	-179.6	172.6	0	0	0	0	111.9	P705 S710 R711 A717 K718	P705-V714 HydrophobicContact CB-CG2 4.37Å; P705-V714 HydrophobicContact CG-CG2 4.21Å; S710-V714 WeakPolarHBondContact O-CG2 3.28Å; S710-V714 PolarHBondContact O-N 2.89Å; R711-V714 PolarHBondContact O-N 3.26Å; V714-A717 PolarHBondContact O-N 3.19Å; V714-K718 PolarHBondContact O-N 3.39Å; V714-K718 VanDerWaalsContact O-N 3.08Å
715	E	87.6	Confident	87.6	Confident	89 Å²	89	47 Å²	47	42%	0.416	22%	0.22	S	C	.	.	H	α-helix	trans	-64.5	-44.5	179.9	-67.2	-62.6	150.2	0	0	113.1	R711 A717 K718 R719	R711-E715 PolarHBondContact O-N 3.26Å; E715-A717 VanDerWaalsContact C-N 3.34Å; E715-A717 PolarHBondContact O-N 3.25Å; E715-K718 PolarHBondContact O-N 3.05Å; E715-R719 WeakPolarHBondContact O-CB 3.35Å; E715-R719 PolarHBondContact O-N 3.42Å
716	P	89.9	Confident	87.6	Confident	4 Å²	4	46.3 Å²	46.3	3%	0.026	22%	0.216	C	C	.	.	H	α-helix	trans	-56.2	-42.8	170.3	-25.6	30.6	0	0	0	113.6	E712 D713 K718 R719 V720 H784 V798	E712-P716 WeakPolarHBondContact O-CD 3.37Å; E712-P716 WeakPolarHBondContact O-CG 3.23Å; D713-P716 WeakPolarHBondContact O-CD 3.39Å; P716-K718 VanDerWaalsContact C-N 3.34Å; P716-K718 PolarHBondContact O-N 3.42Å; P716-R719 PolarHBondContact O-N 2.8Å; P716-V720 WeakPolarHBondContact O-CG2 3.17Å; P716-V720 PolarHBondContact O-N 3.1Å; P716-H784 HydrophobicContact CG-CB 3.87Å; P716-V798 HydrophobicContact CB-CG2 4.05Å
717	A	92.9	Very high	88	Confident	5 Å²	5	46.7 Å²	46.7	4%	0.041	22%	0.217	C	C	.	.	H	α-helix	trans	-60.2	-44.8	177.4	0	0	0	0	0	111.8	V703 P705 D713 V714 E715 V720 L721 V782	V703-A717 HydrophobicContact CG1-CB 4.15Å; P705-A717 HydrophobicContact CB-CB 4.4Å; D713-A717 PolarHBondContact O-N 3.01Å; V714-A717 PolarHBondContact O-N 3.19Å; E715-A717 VanDerWaalsContact C-N 3.34Å; E715-A717 PolarHBondContact O-N 3.25Å; A717-V720 PolarHBondContact O-N 2.9Å; A717-L721 PolarHBondContact O-N 3.37Å; A717-L721 VanDerWaalsContact O-N 3.14Å; A717-V782 HydrophobicContact CB-CG2 3.63Å
718	K	92.4	Very high	88.5	Confident	103 Å²	103	45.4 Å²	45.4	45%	0.448	21%	0.212	S	C	.	.	H	α-helix	trans	-61.6	-45.3	173.6	-176.4	-177	175.7	-173.8	0	111.9	V714 E715 P716 V720 L721 D722	V714-K718 PolarHBondContact O-N 3.39Å; V714-K718 VanDerWaalsContact O-N 3.08Å; E715-K718 PolarHBondContact O-N 3.05Å; P716-K718 VanDerWaalsContact C-N 3.34Å; P716-K718 PolarHBondContact O-N 3.42Å; K718-V720 VanDerWaalsContact C-N 3.34Å; K718-V720 PolarHBondContact O-N 3.48Å; K718-L721 PolarHBondContact O-N 2.98Å; K718-L721 VanDerWaalsContact O-N 3.16Å; K718-D722 PolarHBondContact O-N 3.46Å
719	R	93.6	Very high	89.6	Confident	38 Å²	38	42.3 Å²	42.3	14%	0.143	19%	0.19	C	C	.	.	H	α-helix	trans	-57.8	-46	177.4	178.9	168.6	60	-119	4.3	111.1	E715 P716 L721 D722 F723 W745 L796 E797	E715-R719 WeakPolarHBondContact O-CB 3.35Å; E715-R719 PolarHBondContact O-N 3.42Å; P716-R719 PolarHBondContact O-N 2.8Å; R719-L721 VanDerWaalsContact C-N 3.32Å; R719-L721 PolarHBondContact O-N 2.98Å; R719-D722 WeakPolarHBondContact O-CB 3.13Å; R719-D722 PolarHBondContact O-N 3.12Å; R719-F723 HydrophobicContact CG-CD2 3.97Å; R719-F723 HydrophobicContact CG-CE2 3.88Å; R719-F723 VanDerWaalsContact O-CD2 3.24Å; R719-F723 WeakPolarHBondContact O-CD2 3.29Å; R719-F723 PolarHBondContact O-N 2.89Å; R719-W745 VanDerWaalsContact CD-CD2 3.49Å; R719-L796 HydrophobicContact CG-CD2 4.49Å; R719-L796 PolarHBondContact NE-O 3.23Å; R719-L796 PolarHBondContact NH2-O 2.94Å; R719-E797 PolarHBondContact NH2-O 3.01Å
720	V	94.7	Very high	90.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61	-42	177.3	177.9	0	0	0	0	111.2	V703 P716 A717 K718 D722 F723 Y724 V782 L796 V798	V703-V720 HydrophobicContact CG1-CB 4.19Å; V703-V720 HydrophobicContact CG1-CG1 4.26Å; V703-V720 HydrophobicContact CG2-CB 4.39Å; V703-V720 HydrophobicContact CG2-CG1 3.76Å; P716-V720 WeakPolarHBondContact O-CG2 3.17Å; P716-V720 PolarHBondContact O-N 3.1Å; A717-V720 PolarHBondContact O-N 2.9Å; K718-V720 VanDerWaalsContact C-N 3.34Å; K718-V720 PolarHBondContact O-N 3.48Å; V720-D722 PolarHBondContact O-N 3.17Å; V720-F723 PolarHBondContact O-N 3.46Å; V720-Y724 HydrophobicContact CG1-CD2 3.68Å; V720-Y724 HydrophobicContact CG1-CE2 3.62Å; V720-Y724 HydrophobicContact CG1-CG 4.22Å; V720-Y724 WeakPolarHBondContact O-CB 3.25Å; V720-Y724 PolarHBondContact O-N 3.5Å; V720-V782 HydrophobicContact CG2-CG1 4.39Å; V720-L796 HydrophobicContact CG2-CD1 4.21Å; V720-V798 HydrophobicContact CG2-CG1 4.09Å; V720-V798 HydrophobicContact CG2-CG2 4.25Å
721	L	94.8	Very high	91.7	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.031	16%	0.16	C	C	.	.	H	α-helix	trans	-63.9	-38.9	175.7	-70.3	170.7	0	0	0	112.8	W702 V703 A717 K718 R719 F723 V725 G726	W702-L721 HydrophobicContact CE3-CD1 4.15Å; W702-L721 HydrophobicContact CE3-CD2 4.23Å; W702-L721 HydrophobicContact CH2-CD1 3.82Å; W702-L721 HydrophobicContact CZ3-CD1 3.52Å; W702-L721 HydrophobicContact CZ3-CD2 4.32Å; V703-L721 HydrophobicContact CB-CD2 4.18Å; V703-L721 HydrophobicContact CB-CG 4.15Å; V703-L721 HydrophobicContact CG2-CD2 4.05Å; V703-L721 HydrophobicContact CG2-CG 4.38Å; A717-L721 PolarHBondContact O-N 3.37Å; A717-L721 VanDerWaalsContact O-N 3.14Å; K718-L721 PolarHBondContact O-N 2.98Å; K718-L721 VanDerWaalsContact O-N 3.16Å; R719-L721 VanDerWaalsContact C-N 3.32Å; R719-L721 PolarHBondContact O-N 2.98Å; L721-F723 VanDerWaalsContact C-N 3.34Å; L721-F723 PolarHBondContact O-N 2.6Å; L721-V725 WeakPolarHBondContact O-CA 3.49Å; L721-V725 WeakPolarHBondContact O-CB 3.46Å; L721-V725 PolarHBondContact O-N 3.47Å; L721-G726 PolarHBondContact O-N 3.35Å
722	D	93.8	Very high	92.8	Very high	20 Å²	20	26.5 Å²	26.5	11%	0.107	13%	0.125	C	C	.	.	I	π-helix	trans	-61	-42.9	174.8	-79.3	-5.2	0	0	0	111.2	K718 R719 V720 G726 W727 P739	K718-D722 PolarHBondContact O-N 3.46Å; R719-D722 WeakPolarHBondContact O-CB 3.13Å; R719-D722 PolarHBondContact O-N 3.12Å; V720-D722 PolarHBondContact O-N 3.17Å; D722-G726 CarbonylContact O-C 3.42Å; D722-G726 VanDerWaalsContact O-CA 3.31Å; D722-G726 WeakPolarHBondContact O-CA 3.46Å; D722-G726 PolarHBondContact O-N 2.93Å; D722-W727 PolarHBondContact O-N 3.16Å; D722-P739 HydrophobicContact CB-CB 4.27Å
723	F	94.1	Very high	93.5	Very high	12 Å²	12	21.5 Å²	21.5	5%	0.053	10%	0.102	C	C	.	.	I	π-helix	trans	-76	-33.8	-178.9	-83.7	-105.4	0	0	0	113.2	Y665 R719 V720 L721 W727 M742 W745 L746 L796	Y665-F723 WeakPolarHBondContact OH-CE1 3.37Å; R719-F723 HydrophobicContact CG-CD2 3.97Å; R719-F723 HydrophobicContact CG-CE2 3.88Å; R719-F723 VanDerWaalsContact O-CD2 3.24Å; R719-F723 WeakPolarHBondContact O-CD2 3.29Å; R719-F723 PolarHBondContact O-N 2.89Å; V720-F723 PolarHBondContact O-N 3.46Å; L721-F723 VanDerWaalsContact C-N 3.34Å; L721-F723 PolarHBondContact O-N 2.6Å; F723-W727 WeakPolarHBondContact O-CB 3.29Å; F723-M742 HydrophobicContact CD1-CE 3.87Å; F723-M742 HydrophobicContact CD1-CG 4.05Å; F723-M742 HydrophobicContact CD2-CB 4.23Å; F723-M742 HydrophobicContact CD2-CG 3.95Å; F723-M742 HydrophobicContact CE1-CE 4Å; F723-M742 HydrophobicContact CE1-CG 3.75Å; F723-M742 HydrophobicContact CE2-CB 3.95Å; F723-M742 HydrophobicContact CE2-CG 3.7Å; F723-M742 HydrophobicContact CG-CE 4.5Å; F723-M742 HydrophobicContact CG-CG 4.15Å; F723-M742 HydrophobicContact CZ-CB 4.25Å; F723-M742 HydrophobicContact CZ-CG 3.57Å; F723-W745 HydrophobicContact CE2-CB 4.25Å; F723-W745 AromaticContact CE2-CD1 3.94Å; F723-W745 HydrophobicContact CE2-CG 4.32Å; F723-W745 HydrophobicContact CZ-CB 4.26Å; F723-W745 AromaticContact CZ-CD1 3.62Å; F723-W745 HydrophobicContact CZ-CG 4.27Å; F723-L746 HydrophobicContact CE1-CD1 4.29Å; F723-L746 HydrophobicContact CE1-CD2 4.06Å; F723-L746 HydrophobicContact CE1-CG 4.11Å; F723-L746 HydrophobicContact CZ-CD1 4.48Å; F723-L746 HydrophobicContact CZ-CD2 4.24Å; F723-L746 HydrophobicContact CZ-CG 3.99Å; F723-L796 HydrophobicContact CB-CD2 4.22Å; F723-L796 HydrophobicContact CD1-CD2 3.67Å; F723-L796 HydrophobicContact CD2-CD2 3.8Å; F723-L796 HydrophobicContact CE1-CD2 3.89Å; F723-L796 HydrophobicContact CE2-CD2 3.99Å; F723-L796 HydrophobicContact CG-CD2 3.62Å; F723-L796 HydrophobicContact CZ-CD2 4.05Å
724	Y	92.3	Very high	94.2	Very high	42 Å²	42	22.6 Å²	22.6	17%	0.165	11%	0.113	C	C	.	.	I	π-helix	trans	-89.4	-39	-177	-72.1	0.3	0	0	0	112.9	N659 E661 V720 L796	N659-Y724 WeakPolarHBondContact CB-O 3.39Å; N659-Y724 PolarHBondContact ND2-O 3.29Å; E661-Y724 HydrophobicContact CG-CE1 3.85Å; E661-Y724 PolarHBondContact OE1-OH 2.79Å; E661-Y724 VanDerWaalsContact OE1-OH 3.12Å; V720-Y724 HydrophobicContact CG1-CD2 3.68Å; V720-Y724 HydrophobicContact CG1-CE2 3.62Å; V720-Y724 HydrophobicContact CG1-CG 4.22Å; V720-Y724 WeakPolarHBondContact O-CB 3.25Å; V720-Y724 PolarHBondContact O-N 3.5Å; Y724-L796 HydrophobicContact CE1-CD1 4.39Å
725	V	95.2	Very high	94.6	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	11%	0.107	C	C	.	.	I	π-helix	trans	-113.4	-51.8	-174.2	-175.4	0	0	0	0	110.2	L698 M700 L721 W727 L728 A729 W824	L698-V725 HydrophobicContact CD1-CG1 4.45Å; M700-V725 HydrophobicContact CB-CG2 4.05Å; M700-V725 HydrophobicContact CE-CG1 4.48Å; M700-V725 HydrophobicContact CG-CG1 4.34Å; M700-V725 HydrophobicContact CG-CG2 3.73Å; M700-V725 HydrophobicContact SD-CG1 3.9Å; M700-V725 HydrophobicContact SD-CG2 4.31Å; L721-V725 WeakPolarHBondContact O-CA 3.49Å; L721-V725 WeakPolarHBondContact O-CB 3.46Å; L721-V725 PolarHBondContact O-N 3.47Å; V725-W727 PolarHBondContact O-N 3.41Å; V725-L728 PolarHBondContact O-N 3.45Å; V725-A729 HydrophobicContact CG1-CB 4.28Å; V725-A729 WeakPolarHBondContact O-CB 3.36Å; V725-A729 PolarHBondContact O-N 3.46Å; V725-W824 HydrophobicContact CG1-CH2 4.31Å; V725-W824 HydrophobicContact CG1-CZ3 3.98Å
726	G	95.9	Very high	94.9	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.01	9%	0.087	C	C	.	.	I	π-helix	trans	-56.3	-34.6	-178.3	0	0	0	0	0	113	L721 D722 L728 A729 E730 P739	L721-G726 PolarHBondContact O-N 3.35Å; D722-G726 CarbonylContact O-C 3.42Å; D722-G726 VanDerWaalsContact O-CA 3.31Å; D722-G726 WeakPolarHBondContact O-CA 3.46Å; D722-G726 PolarHBondContact O-N 2.93Å; G726-L728 VanDerWaalsContact C-N 3.27Å; G726-L728 PolarHBondContact O-N 2.81Å; G726-A729 PolarHBondContact O-N 3.09Å; G726-E730 WeakPolarHBondContact O-CB 3.1Å; G726-E730 PolarHBondContact O-N 3.27Å; G726-P739 WeakPolarHBondContact O-CD 3.25Å; G726-P739 VanDerWaalsContact O-CG 3.22Å; G726-P739 WeakPolarHBondContact O-CG 3.41Å
727	W	96.3	Very high	95.3	Very high	10 Å²	10	18.8 Å²	18.8	4%	0.038	10%	0.096	C	C	.	.	H	α-helix	trans	-50.6	-43.9	-178.7	172.4	35.3	0	0	0	113	V663 Y665 D722 F723 V725 P731 Y738 M742	V663-W727 HydrophobicContact CB-CH2 4Å; V663-W727 HydrophobicContact CB-CZ3 4.48Å; V663-W727 HydrophobicContact CG1-CH2 3.84Å; V663-W727 WeakPolarHBondContact O-CH2 3.49Å; Y665-W727 AromaticContact CD1-CE2 3.95Å; Y665-W727 HydrophobicContact CD1-CZ2 4Å; Y665-W727 AromaticContact CD1-NE1 3.97Å; D722-W727 PolarHBondContact O-N 3.16Å; F723-W727 WeakPolarHBondContact O-CB 3.29Å; V725-W727 PolarHBondContact O-N 3.41Å; W727-P731 WeakPolarHBondContact O-CD 3.27Å; W727-Y738 AromaticContact CD1-CD1 3.71Å; W727-Y738 AromaticContact CD1-CE1 3.58Å; W727-Y738 AromaticContact NE1-CE1 3.66Å; W727-Y738 WeakPolarHBondContact O-CD1 3.23Å; W727-M742 HydrophobicContact CB-CE 4.26Å; W727-M742 HydrophobicContact CB-SD 4.03Å; W727-M742 HydrophobicContact CG-CE 3.97Å; W727-M742 HydrophobicContact CG-SD 4.2Å
728	L	96.9	Very high	95.5	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.016	9%	0.094	C	C	.	.	H	α-helix	trans	-103.7	-23.3	176.8	-56.5	-172.1	0	0	0	113.1	P658 N659 L672 L698 V725 G726 I732	P658-L728 HydrophobicContact CB-CD1 4.02Å; P658-L728 HydrophobicContact CG-CD1 3.65Å; N659-L728 HydrophobicContact CB-CD1 3.78Å; N659-L728 HydrophobicContact CB-CG 4.26Å; L672-L728 HydrophobicContact CD1-CD2 3.97Å; L672-L728 HydrophobicContact CD2-CB 4.25Å; L672-L728 HydrophobicContact CD2-CD2 3.98Å; L672-L728 HydrophobicContact CG-CD2 3.84Å; L698-L728 HydrophobicContact CD2-CB 3.89Å; L698-L728 HydrophobicContact CD2-CD1 4.25Å; V725-L728 PolarHBondContact O-N 3.45Å; G726-L728 VanDerWaalsContact C-N 3.27Å; G726-L728 PolarHBondContact O-N 2.81Å; L728-I732 WeakPolarHBondContact O-CD1 3.29Å
729	A	97.3	Very high	95.6	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-74.6	-46.1	179.3	0	0	0	0	0	112.8	L698 V725 G726 I732 F733 F772 Y829	L698-A729 HydrophobicContact CD1-CB 3.7Å; V725-A729 HydrophobicContact CG1-CB 4.28Å; V725-A729 WeakPolarHBondContact O-CB 3.36Å; V725-A729 PolarHBondContact O-N 3.46Å; G726-A729 PolarHBondContact O-N 3.09Å; A729-I732 PolarHBondContact O-N 3.15Å; A729-I732 VanDerWaalsContact O-N 3.09Å; A729-F733 HydrophobicContact CB-CD2 4.08Å; A729-F733 VanDerWaalsContact O-CD2 3.31Å; A729-F733 WeakPolarHBondContact O-CD2 3.34Å; A729-F733 PolarHBondContact O-N 2.91Å; A729-F772 HydrophobicContact CB-CE2 4.24Å; A729-Y829 HydrophobicContact CB-CE2 3.83Å; A729-Y829 WeakPolarHBondContact CB-OH 3.47Å
730	E	97.2	Very high	95.6	Very high	44 Å²	44	18.1 Å²	18.1	21%	0.206	10%	0.103	C	C	.	.	H	α-helix	trans	-61.8	-41.1	-173.7	-169	59.2	-143	0	0	113.7	G726 I732 G734 S735 D737 P739 Y829	G726-E730 WeakPolarHBondContact O-CB 3.1Å; G726-E730 PolarHBondContact O-N 3.27Å; E730-I732 VanDerWaalsContact C-N 3.25Å; E730-I732 PolarHBondContact O-N 3.46Å; E730-G734 CarbonylContact O-C 3.57Å; E730-G734 WeakPolarHBondContact O-CA 3.42Å; E730-G734 PolarHBondContact O-N 3.16Å; E730-S735 PolarHBondContact O-N 3.09Å; E730-S735 VanDerWaalsContact O-N 3.16Å; E730-S735 PolarHBondContact OE1-N 3.35Å; E730-D737 CarbonylContact C-O 3.57Å; E730-D737 WeakPolarHBondContact CG-O 3.46Å; E730-P739 HydrophobicContact CB-CG 3.81Å; E730-P739 HydrophobicContact CG-CG 4.34Å; E730-Y829 VanDerWaalsContact OE2-CE1 3.28Å; E730-Y829 WeakPolarHBondContact OE2-CE1 3.16Å; E730-Y829 PolarHBondContact OE2-OH 2.82Å
731	P	97.9	Very high	95.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.9	-29.4	174.8	-23.4	34.4	0	0	0	113.8	L672 W727 G736 Y738 F757 V765	L672-P731 HydrophobicContact CD1-CB 4.1Å; L672-P731 HydrophobicContact CD1-CG 3.9Å; L672-P731 HydrophobicContact CD2-CB 4.44Å; W727-P731 WeakPolarHBondContact O-CD 3.27Å; P731-G736 VanDerWaalsContact O-CA 3.24Å; P731-G736 WeakPolarHBondContact O-CA 3.25Å; P731-Y738 HydrophobicContact CG-CD1 3.81Å; P731-Y738 HydrophobicContact CG-CE1 4.15Å; P731-F757 HydrophobicContact CB-CE2 4.24Å; P731-F757 HydrophobicContact CB-CZ 4.43Å; P731-F757 HydrophobicContact CG-CE2 4.3Å; P731-V765 HydrophobicContact CB-CG2 4.23Å
732	I	97.7	Very high	95.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-92.5	-53.4	-174.4	-62.6	171.8	0	0	0	110.7	L672 H675 L696 L728 A729 E730 G767 Y769	L672-I732 HydrophobicContact CD2-CD1 3.68Å; L672-I732 HydrophobicContact CD2-CG1 3.89Å; H675-I732 VanDerWaalsContact CD2-CD1 3.45Å; H675-I732 WeakPolarHBondContact CD2-CD1 3.46Å; L696-I732 HydrophobicContact CD1-CD1 3.48Å; L696-I732 VanDerWaalsContact CD1-CD1 3.48Å; L696-I732 HydrophobicContact CD2-CD1 3.51Å; L696-I732 HydrophobicContact CD2-CG2 4.31Å; L696-I732 HydrophobicContact CG-CD1 4.15Å; L728-I732 WeakPolarHBondContact O-CD1 3.29Å; A729-I732 PolarHBondContact O-N 3.15Å; A729-I732 VanDerWaalsContact O-N 3.09Å; E730-I732 VanDerWaalsContact C-N 3.25Å; E730-I732 PolarHBondContact O-N 3.46Å; I732-G767 WeakPolarHBondContact O-CA 3.38Å; I732-G767 PolarHBondContact O-N 3.25Å; I732-Y769 HydrophobicContact CG2-CD1 3.85Å; I732-Y769 HydrophobicContact CG2-CG 4.32Å; I732-Y769 WeakPolarHBondContact O-CD1 3.48Å; I732-Y769 WeakPolarHBondContact O-CE1 3.41Å
733	F	96.9	Very high	95.3	Very high	13 Å²	13	19.8 Å²	19.8	6%	0.057	12%	0.117	C	C	.	.	H	α-helix	trans	-91.3	-24.8	-170	-61	-82.2	0	0	0	113.6	L696 A729 Y769 F772 Y829	L696-F733 HydrophobicContact CD2-CE2 3.92Å; L696-F733 HydrophobicContact CD2-CZ 3.94Å; A729-F733 HydrophobicContact CB-CD2 4.08Å; A729-F733 VanDerWaalsContact O-CD2 3.31Å; A729-F733 WeakPolarHBondContact O-CD2 3.34Å; A729-F733 PolarHBondContact O-N 2.91Å; F733-Y769 HydrophobicContact CB-CE1 4.28Å; F733-Y769 AromaticContact CD1-CD1 3.49Å; F733-Y769 HydrophobicContact CD1-CD1 3.49Å; F733-Y769 VanDerWaalsContact CD1-CD1 3.49Å; F733-Y769 AromaticContact CD1-CD2 3.49Å; F733-Y769 HydrophobicContact CD1-CD2 3.49Å; F733-Y769 VanDerWaalsContact CD1-CD2 3.49Å; F733-Y769 AromaticContact CD1-CE1 3.76Å; F733-Y769 HydrophobicContact CD1-CE1 3.76Å; F733-Y769 AromaticContact CD1-CE2 3.76Å; F733-Y769 HydrophobicContact CD1-CE2 3.76Å; F733-Y769 AromaticContact CD1-CG 3.34Å; F733-Y769 HydrophobicContact CD1-CG 3.34Å; F733-Y769 AromaticContact CD1-CZ 3.88Å; F733-Y769 AromaticContact CE1-CD1 3.89Å; F733-Y769 HydrophobicContact CE1-CD1 3.89Å; F733-Y769 AromaticContact CE1-CD2 3.46Å; F733-Y769 HydrophobicContact CE1-CD2 3.46Å; F733-Y769 VanDerWaalsContact CE1-CD2 3.46Å; F733-Y769 HydrophobicContact CE1-CE2 4.18Å; F733-Y769 AromaticContact CE1-CG 3.28Å; F733-Y769 HydrophobicContact CE1-CG 3.28Å; F733-Y769 HydrophobicContact CG-CD1 4.15Å; F733-Y769 HydrophobicContact CG-CE1 4.32Å; F733-Y769 HydrophobicContact CG-CG 4.37Å; F733-Y769 HydrophobicContact CZ-CG 4.27Å; F733-F772 AromaticContact CD1-CD2 3.83Å; F733-F772 HydrophobicContact CD1-CD2 3.83Å; F733-F772 AromaticContact CD2-CD2 3.8Å; F733-F772 HydrophobicContact CD2-CD2 3.8Å; F733-F772 AromaticContact CD2-CE2 3.74Å; F733-F772 HydrophobicContact CD2-CE2 3.74Å; F733-F772 HydrophobicContact CE1-CB 4.12Å; F733-F772 AromaticContact CE1-CD2 3.63Å; F733-F772 HydrophobicContact CE1-CD2 3.63Å; F733-F772 HydrophobicContact CE1-CE2 4.5Å; F733-F772 HydrophobicContact CE1-CG 4.27Å; F733-F772 AromaticContact CE2-CD2 3.63Å; F733-F772 HydrophobicContact CE2-CD2 3.63Å; F733-F772 AromaticContact CE2-CE2 3.7Å; F733-F772 HydrophobicContact CE2-CE2 3.7Å; F733-F772 AromaticContact CG-CD2 3.92Å; F733-F772 HydrophobicContact CG-CD2 3.92Å; F733-F772 HydrophobicContact CG-CE2 4.21Å; F733-F772 HydrophobicContact CZ-CB 4.41Å; F733-F772 AromaticContact CZ-CD2 3.56Å; F733-F772 HydrophobicContact CZ-CD2 3.56Å; F733-F772 HydrophobicContact CZ-CE2 4.11Å; F733-F772 HydrophobicContact CZ-CG 4.2Å; F733-Y829 HydrophobicContact CB-CD1 3.45Å; F733-Y829 VanDerWaalsContact CB-CD1 3.45Å; F733-Y829 HydrophobicContact CB-CD2 4.2Å; F733-Y829 HydrophobicContact CB-CE1 3.92Å; F733-Y829 HydrophobicContact CB-CG 3.63Å; F733-Y829 HydrophobicContact CG-CG 4.46Å
734	G	94.8	Very high	95.3	Very high	23 Å²	23	21.8 Å²	21.8	24%	0.237	13%	0.133	C	C	.	.	S	Bend	trans	-114.8	-113.7	-173.2	0	0	0	0	0	113.7	E730 G736 R766	E730-G734 CarbonylContact O-C 3.57Å; E730-G734 WeakPolarHBondContact O-CA 3.42Å; E730-G734 PolarHBondContact O-N 3.16Å; G734-G736 PolarHBondContact O-N 3.37Å; G734-R766 PolarHBondContact O-NE 2.74Å
735	S	93.9	Very high	95.3	Very high	36 Å²	36	21.3 Å²	21.3	25%	0.252	13%	0.131	S	C	.	.	S	Bend	trans	-74	-15.4	-166.4	73.2	0	0	0	0	116.3	E730 D737 R762	E730-S735 PolarHBondContact O-N 3.09Å; E730-S735 VanDerWaalsContact O-N 3.16Å; E730-S735 PolarHBondContact OE1-N 3.35Å; S735-D737 VanDerWaalsContact C-N 3.28Å; S735-D737 PolarHBondContact OG-N 3.12Å; S735-D737 PolarHBondContact OG-O 3.33Å; S735-R762 PolarHBondContact O-NE 2.84Å; S735-R762 VanDerWaalsContact O-NE 3.14Å; S735-R762 PolarHBondContact O-NH2 2.89Å
736	G	95.4	Very high	95.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	85	-4.5	-169	0	0	0	0	0	114.4	P731 G734 R762	P731-G736 VanDerWaalsContact O-CA 3.24Å; P731-G736 WeakPolarHBondContact O-CA 3.25Å; G734-G736 PolarHBondContact O-N 3.37Å; G736-R762 WeakPolarHBondContact O-CG 3.36Å
737	D	96.6	Very high	94.9	Very high	38 Å²	38	29.2 Å²	29.2	20%	0.203	16%	0.16	C	C	.	.	S	Bend	trans	-128.5	170.9	179.6	-161.7	-8.2	0	0	0	109.6	E730 S735 R743	E730-D737 CarbonylContact C-O 3.57Å; E730-D737 WeakPolarHBondContact CG-O 3.46Å; S735-D737 VanDerWaalsContact C-N 3.28Å; S735-D737 PolarHBondContact OG-N 3.12Å; S735-D737 PolarHBondContact OG-O 3.33Å; D737-R743 IonicContact OD1-CZ 3.91Å; D737-R743 IonicContact OD1-NH2 3.58Å; D737-R743 PolarHBondContact OD1-NH2 3.08Å; D737-R743 IonicContact OD2-NH2 2.81Å
738	Y	97	Very high	94.7	Very high	3 Å²	3	35 Å²	35	1%	0.012	19%	0.188	C	C	.	.			trans	-64	155.6	176.6	-65.3	-58.9	0	0	0	112.4	H669 L672 W727 P731 V740 L754 P755 F757	H669-Y738 WeakPolarHBondContact CA-OH 3.48Å; H669-Y738 VanDerWaalsContact CB-OH 3.23Å; H669-Y738 WeakPolarHBondContact CB-OH 3.32Å; H669-Y738 AromaticContact ND1-CE2 3.92Å; H669-Y738 AromaticContact ND1-CZ 3.72Å; H669-Y738 PolarHBondContact ND1-OH 2.99Å; L672-Y738 HydrophobicContact CD1-CE1 3.7Å; W727-Y738 AromaticContact CD1-CD1 3.71Å; W727-Y738 AromaticContact CD1-CE1 3.58Å; W727-Y738 AromaticContact NE1-CE1 3.66Å; W727-Y738 WeakPolarHBondContact O-CD1 3.23Å; P731-Y738 HydrophobicContact CG-CD1 3.81Å; P731-Y738 HydrophobicContact CG-CE1 4.15Å; Y738-V740 PolarHBondContact O-N 3.13Å; Y738-L754 HydrophobicContact CD1-CD1 4.22Å; Y738-L754 HydrophobicContact CD2-CD1 3.65Å; Y738-L754 HydrophobicContact CD2-CD2 3.98Å; Y738-L754 HydrophobicContact CD2-CG 3.71Å; Y738-L754 HydrophobicContact CE1-CD1 4.32Å; Y738-L754 HydrophobicContact CE2-CD1 3.77Å; Y738-L754 HydrophobicContact CE2-CG 4.09Å; Y738-L754 HydrophobicContact CG-CD1 3.89Å; Y738-L754 HydrophobicContact CG-CD2 4.12Å; Y738-L754 HydrophobicContact CG-CG 4.21Å; Y738-P755 WeakPolarHBondContact CD2-O 3.41Å; Y738-P755 HydrophobicContact CE2-CB 4.34Å; Y738-P755 WeakPolarHBondContact CE2-O 3.46Å; Y738-F757 HydrophobicContact CD1-CE2 4.34Å; Y738-F757 HydrophobicContact CD2-CD2 4.13Å; Y738-F757 HydrophobicContact CD2-CE2 4.02Å; Y738-F757 AromaticContact CE1-CE2 3.99Å; Y738-F757 HydrophobicContact CE1-CE2 3.99Å; Y738-F757 AromaticContact CE2-CD2 3.99Å; Y738-F757 HydrophobicContact CE2-CD2 3.99Å; Y738-F757 AromaticContact CE2-CE2 3.63Å; Y738-F757 HydrophobicContact CE2-CE2 3.63Å; Y738-F757 HydrophobicContact CG-CE2 4.36Å; Y738-F757 AromaticContact CZ-CE2 3.62Å
739	P	96	Very high	94.4	Very high	7 Å²	7	38.2 Å²	38.2	5%	0.045	21%	0.205	C	C	.	.			trans	-53.1	134.7	178.7	-24.2	31.9	0	0	0	112.8	D722 G726 E730 G741 M742 R743	D722-P739 HydrophobicContact CB-CB 4.27Å; G726-P739 WeakPolarHBondContact O-CD 3.25Å; G726-P739 VanDerWaalsContact O-CG 3.22Å; G726-P739 WeakPolarHBondContact O-CG 3.41Å; E730-P739 HydrophobicContact CB-CG 3.81Å; E730-P739 HydrophobicContact CG-CG 4.34Å; P739-G741 VanDerWaalsContact C-N 3.29Å; P739-G741 PolarHBondContact O-N 2.82Å; P739-M742 HydrophobicContact CB-CB 3.94Å; P739-M742 HydrophobicContact CG-CB 4.37Å; P739-M742 PolarHBondContact O-N 3.32Å; P739-R743 PolarHBondContact O-N 3.11Å
740	V	93.1	Very high	94	Very high	121 Å²	121	45.4 Å²	45.4	73%	0.733	24%	0.243	S	C	*	.	H	α-helix	trans	-61.4	-41.3	179.3	-179.9	0	0	0	0	110.8	Y738 R743 S744	Y738-V740 PolarHBondContact O-N 3.13Å; V740-R743 PolarHBondContact O-N 3.14Å; V740-S744 WeakPolarHBondContact O-CB 3.28Å; V740-S744 PolarHBondContact O-N 3.18Å; V740-S744 PolarHBondContact O-OG 2.91Å
741	G	90.8	Very high	93.5	Very high	30 Å²	30	44.6 Å²	44.6	31%	0.309	24%	0.242	S	C	.	.	H	α-helix	trans	-57.7	-51.7	176.7	0	0	0	0	0	112	P739 R743 S744 W745	P739-G741 VanDerWaalsContact C-N 3.29Å; P739-G741 PolarHBondContact O-N 2.82Å; G741-R743 PolarHBondContact O-N 2.93Å; G741-S744 WeakPolarHBondContact CA-OG 3.38Å; G741-S744 PolarHBondContact O-N 3.38Å; G741-S744 PolarHBondContact O-OG 3.14Å; G741-W745 WeakPolarHBondContact O-CB 3.22Å; G741-W745 PolarHBondContact O-N 3.45Å
742	M	94	Very high	92.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-54.9	-49.7	175.4	-174.4	-170.1	-173.6	0	0	112.4	Y665 F723 W727 P739 S744 W745 L746 L754	Y665-M742 HydrophobicContact CD1-CE 3.71Å; Y665-M742 HydrophobicContact CE1-CE 3.16Å; F723-M742 HydrophobicContact CD1-CE 3.87Å; F723-M742 HydrophobicContact CD1-CG 4.05Å; F723-M742 HydrophobicContact CD2-CB 4.23Å; F723-M742 HydrophobicContact CD2-CG 3.95Å; F723-M742 HydrophobicContact CE1-CE 4Å; F723-M742 HydrophobicContact CE1-CG 3.75Å; F723-M742 HydrophobicContact CE2-CB 3.95Å; F723-M742 HydrophobicContact CE2-CG 3.7Å; F723-M742 HydrophobicContact CG-CE 4.5Å; F723-M742 HydrophobicContact CG-CG 4.15Å; F723-M742 HydrophobicContact CZ-CB 4.25Å; F723-M742 HydrophobicContact CZ-CG 3.57Å; W727-M742 HydrophobicContact CB-CE 4.26Å; W727-M742 HydrophobicContact CB-SD 4.03Å; W727-M742 HydrophobicContact CG-CE 3.97Å; W727-M742 HydrophobicContact CG-SD 4.2Å; P739-M742 HydrophobicContact CB-CB 3.94Å; P739-M742 HydrophobicContact CG-CB 4.37Å; P739-M742 PolarHBondContact O-N 3.32Å; M742-S744 PolarHBondContact O-N 2.78Å; M742-W745 PolarHBondContact O-N 3.26Å; M742-L746 HydrophobicContact CE-CD1 4.35Å; M742-L746 HydrophobicContact CG-CD1 4.36Å; M742-L746 PolarHBondContact O-N 2.98Å; M742-L754 HydrophobicContact CE-CD1 3.92Å; M742-L754 HydrophobicContact CG-CD2 4.48Å; M742-L754 HydrophobicContact SD-CD1 4.29Å; M742-L754 HydrophobicContact SD-CD2 4.32Å
743	R	93.1	Very high	92.4	Very high	32 Å²	32	57.4 Å²	57.4	12%	0.121	31%	0.306	C	S	.	.	H	α-helix	trans	-64.1	-41.3	180	-172.2	179.3	-64.7	-73.8	10.3	112.1	D737 P739 V740 G741 R747 L754 P755	D737-R743 IonicContact OD1-CZ 3.91Å; D737-R743 IonicContact OD1-NH2 3.58Å; D737-R743 PolarHBondContact OD1-NH2 3.08Å; D737-R743 IonicContact OD2-NH2 2.81Å; P739-R743 PolarHBondContact O-N 3.11Å; V740-R743 PolarHBondContact O-N 3.14Å; G741-R743 PolarHBondContact O-N 2.93Å; R743-R747 WeakPolarHBondContact O-CG 3.5Å; R743-R747 PolarHBondContact O-N 3.02Å; R743-L754 HydrophobicContact CB-CD2 4.14Å; R743-L754 HydrophobicContact CG-CD2 4.43Å; R743-P755 PolarHBondContact NH1-O 3.47Å; R743-P755 PolarHBondContact NH2-O 3.31Å
744	S	92.1	Very high	92.1	Very high	54 Å²	54	57.4 Å²	57.4	38%	0.378	31%	0.307	S	S	.	.	H	α-helix	trans	-64.8	-40.1	177.3	61.6	0	0	0	0	112.3	V740 G741 M742 R747 Q748	V740-S744 WeakPolarHBondContact O-CB 3.28Å; V740-S744 PolarHBondContact O-N 3.18Å; V740-S744 PolarHBondContact O-OG 2.91Å; G741-S744 WeakPolarHBondContact CA-OG 3.38Å; G741-S744 PolarHBondContact O-N 3.38Å; G741-S744 PolarHBondContact O-OG 3.14Å; M742-S744 PolarHBondContact O-N 2.78Å; S744-R747 PolarHBondContact O-N 3.3Å; S744-Q748 WeakPolarHBondContact O-CG 3.35Å; S744-Q748 PolarHBondContact O-N 2.86Å; S744-Q748 VanDerWaalsContact O-N 3.11Å
745	W	93.6	Very high	92.1	Very high	32 Å²	32	57.8 Å²	57.8	12%	0.121	31%	0.305	C	S	.	.	H	α-helix	trans	-65.3	-49.5	179	-175.1	-106.2	0	0	0	112.1	R719 F723 G741 M742 R747 Q748 L749 M795 E797	R719-W745 VanDerWaalsContact CD-CD2 3.49Å; F723-W745 HydrophobicContact CE2-CB 4.25Å; F723-W745 AromaticContact CE2-CD1 3.94Å; F723-W745 HydrophobicContact CE2-CG 4.32Å; F723-W745 HydrophobicContact CZ-CB 4.26Å; F723-W745 AromaticContact CZ-CD1 3.62Å; F723-W745 HydrophobicContact CZ-CG 4.27Å; G741-W745 WeakPolarHBondContact O-CB 3.22Å; G741-W745 PolarHBondContact O-N 3.45Å; M742-W745 PolarHBondContact O-N 3.26Å; W745-R747 VanDerWaalsContact C-N 3.26Å; W745-R747 PolarHBondContact O-N 3.17Å; W745-Q748 WeakPolarHBondContact O-CB 3.34Å; W745-Q748 PolarHBondContact O-N 3.46Å; W745-L749 PolarHBondContact O-N 3.37Å; W745-L749 VanDerWaalsContact O-N 3.08Å; W745-M795 PolarHBondContact NE1-O 3.18Å; W745-E797 HydrophobicContact CH2-CB 4.23Å; W745-E797 HydrophobicContact CH2-CG 4.22Å; W745-E797 WeakPolarHBondContact CH2-OE2 3.24Å; W745-E797 HydrophobicContact CZ2-CB 3.95Å; W745-E797 HydrophobicContact CZ2-CG 3.85Å
746	L	92.4	Very high	92	Very high	6 Å²	6	61.1 Å²	61.1	3%	0.031	32%	0.324	C	S	.	.	H	α-helix	trans	-61.1	-35.9	178.4	-70.8	173.7	0	0	0	112.5	Y665 F723 M742 L749 N750 S751 L754	Y665-L746 HydrophobicContact CE2-CD1 4.05Å; Y665-L746 HydrophobicContact CE2-CD2 4.44Å; F723-L746 HydrophobicContact CE1-CD1 4.29Å; F723-L746 HydrophobicContact CE1-CD2 4.06Å; F723-L746 HydrophobicContact CE1-CG 4.11Å; F723-L746 HydrophobicContact CZ-CD1 4.48Å; F723-L746 HydrophobicContact CZ-CD2 4.24Å; F723-L746 HydrophobicContact CZ-CG 3.99Å; M742-L746 HydrophobicContact CE-CD1 4.35Å; M742-L746 HydrophobicContact CG-CD1 4.36Å; M742-L746 PolarHBondContact O-N 2.98Å; L746-L749 CarbonylContact O-C 3.51Å; L746-L749 PolarHBondContact O-N 2.98Å; L746-N750 PolarHBondContact O-N 3.35Å; L746-S751 PolarHBondContact O-N 3.45Å; L746-L754 HydrophobicContact CD1-CB 3.74Å; L746-L754 HydrophobicContact CD1-CD2 4.18Å; L746-L754 HydrophobicContact CD1-CG 4.43Å
747	R	91	Very high	91.9	Very high	162 Å²	162	61.8 Å²	61.8	61%	0.611	33%	0.327	S	S	*	.	H	α-helix	trans	-64.7	-39	173.6	-75.7	176.2	177.8	175.7	0	112.6	R743 S744 W745 L749 N750	R743-R747 WeakPolarHBondContact O-CG 3.5Å; R743-R747 PolarHBondContact O-N 3.02Å; S744-R747 PolarHBondContact O-N 3.3Å; W745-R747 VanDerWaalsContact C-N 3.26Å; W745-R747 PolarHBondContact O-N 3.17Å; R747-L749 PolarHBondContact O-N 3.36Å; R747-N750 PolarHBondContact O-N 3.37Å
748	Q	91.4	Very high	91.7	Very high	132 Å²	132	63.8 Å²	63.8	62%	0.617	34%	0.338	S	S	*	.	H	α-helix	trans	-63.4	-34.1	174.8	-72.1	170.9	-7.6	0	0	111.7	S744 W745 N750	S744-Q748 WeakPolarHBondContact O-CG 3.35Å; S744-Q748 PolarHBondContact O-N 2.86Å; S744-Q748 VanDerWaalsContact O-N 3.11Å; W745-Q748 WeakPolarHBondContact O-CB 3.34Å; W745-Q748 PolarHBondContact O-N 3.46Å; Q748-N750 PolarHBondContact O-N 3.26Å
749	L	90.4	Very high	91.6	Very high	69 Å²	69	68.8 Å²	68.8	36%	0.361	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	6.9	173.6	-62	179.5	0	0	0	114	W745 L746 R747 S751 M795	W745-L749 PolarHBondContact O-N 3.37Å; W745-L749 VanDerWaalsContact O-N 3.08Å; L746-L749 CarbonylContact O-C 3.51Å; L746-L749 PolarHBondContact O-N 2.98Å; R747-L749 PolarHBondContact O-N 3.36Å; L749-S751 PolarHBondContact O-N 3.19Å; L749-M795 WeakPolarHBondContact CD1-O 3.32Å
750	N	89.4	Confident	91.6	Very high	152 Å²	152	75.6 Å²	75.6	81%	0.813	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	25.9	-174.3	-59.3	-56.8	0	0	0	114.4	L746 R747 Q748	L746-N750 PolarHBondContact O-N 3.35Å; R747-N750 PolarHBondContact O-N 3.37Å; Q748-N750 PolarHBondContact O-N 3.26Å
751	S	87.2	Confident	91.6	Very high	26 Å²	26	74.4 Å²	74.4	18%	0.182	37%	0.374	C	S	.	.			trans	-91.4	130.4	174.3	177.1	0	0	0	0	111.2	L746 L749 E753	L746-S751 PolarHBondContact O-N 3.45Å; L749-S751 PolarHBondContact O-N 3.19Å; S751-E753 WeakPolarHBondContact OG-CG 3.42Å; S751-E753 PolarHBondContact OG-N 3.1Å
752	L	83.6	Confident	91.9	Very high	163 Å²	163	76.9 Å²	76.9	85%	0.853	38%	0.375	S	S	*	.			trans	-108.4	14.9	174.6	-64	176	0	0	0	112.2	L754	L752-L754 VanDerWaalsContact C-N 3.31Å; L752-L754 PolarHBondContact O-N 3.3Å
753	E	87.1	Confident	92	Very high	106 Å²	106	82.6 Å²	82.6	50%	0.495	40%	0.401	S	S	.	.			trans	-70.2	-26.7	-172.9	-64.7	176.8	163	0	0	113.2	Y665 Q666 S751 P755	Y665-E753 HydrophobicContact CD2-CB 3.75Å; Y665-E753 HydrophobicContact CE2-CB 4.26Å; Q666-E753 PolarHBondContact NE2-O 3.45Å; Q666-E753 VanDerWaalsContact NE2-O 3.13Å; S751-E753 WeakPolarHBondContact OG-CG 3.42Å; S751-E753 PolarHBondContact OG-N 3.1Å; E753-P755 VanDerWaalsContact O-CD 3.26Å; E753-P755 WeakPolarHBondContact O-CD 3.42Å
754	L	92.5	Very high	92.1	Very high	14 Å²	14	83.4 Å²	83.4	7%	0.073	41%	0.407	C	S	.	.	S	Bend	trans	-72.7	118.2	-179.8	-173.6	67.3	0	0	0	110.9	Y665 Y738 M742 R743 L746 L752	Y665-L754 HydrophobicContact CD1-CD1 4.12Å; Y665-L754 HydrophobicContact CG-CD1 4.17Å; Y738-L754 HydrophobicContact CD1-CD1 4.22Å; Y738-L754 HydrophobicContact CD2-CD1 3.65Å; Y738-L754 HydrophobicContact CD2-CD2 3.98Å; Y738-L754 HydrophobicContact CD2-CG 3.71Å; Y738-L754 HydrophobicContact CE1-CD1 4.32Å; Y738-L754 HydrophobicContact CE2-CD1 3.77Å; Y738-L754 HydrophobicContact CE2-CG 4.09Å; Y738-L754 HydrophobicContact CG-CD1 3.89Å; Y738-L754 HydrophobicContact CG-CD2 4.12Å; Y738-L754 HydrophobicContact CG-CG 4.21Å; M742-L754 HydrophobicContact CE-CD1 3.92Å; M742-L754 HydrophobicContact CG-CD2 4.48Å; M742-L754 HydrophobicContact SD-CD1 4.29Å; M742-L754 HydrophobicContact SD-CD2 4.32Å; R743-L754 HydrophobicContact CB-CD2 4.14Å; R743-L754 HydrophobicContact CG-CD2 4.43Å; L746-L754 HydrophobicContact CD1-CB 3.74Å; L746-L754 HydrophobicContact CD1-CD2 4.18Å; L746-L754 HydrophobicContact CD1-CG 4.43Å; L752-L754 VanDerWaalsContact C-N 3.31Å; L752-L754 PolarHBondContact O-N 3.3Å
755	P	92.9	Very high	92.4	Very high	30 Å²	30	80.8 Å²	80.8	20%	0.195	39%	0.39	C	S	.	.			trans	-60.9	162.9	-179.6	-25.2	36.8	0	0	0	113.7	Q666 H669 Y738 R743 E753	Q666-P755 HydrophobicContact CG-CG 4.49Å; H669-P755 HydrophobicContact CB-CB 4.4Å; H669-P755 HydrophobicContact CB-CG 4.01Å; Y738-P755 WeakPolarHBondContact CD2-O 3.41Å; Y738-P755 HydrophobicContact CE2-CB 4.34Å; Y738-P755 WeakPolarHBondContact CE2-O 3.46Å; R743-P755 PolarHBondContact NH1-O 3.47Å; R743-P755 PolarHBondContact NH2-O 3.31Å; E753-P755 VanDerWaalsContact O-CD 3.26Å; E753-P755 WeakPolarHBondContact O-CD 3.42Å
756	V	91.9	Very high	92.6	Very high	107 Å²	107	85.9 Å²	85.9	65%	0.648	41%	0.409	S	S	*	.			trans	-109.7	128.3	174.9	-177	0	0	0	0	108.8
757	F	93.4	Very high	92.8	Very high	14 Å²	14	87.1 Å²	87.1	6%	0.061	42%	0.423	C	S	.	.			trans	-73.9	126.2	169.9	-81	-77.2	0	0	0	109.7	H669 L672 P731 Y738 R761 R762 V765	H669-F757 AromaticContact CE1-CD1 3.58Å; H669-F757 AromaticContact CE1-CE1 3.3Å; H669-F757 WeakPolarHBondContact CE1-CE1 3.33Å; H669-F757 AromaticContact CE1-CE2 3.9Å; H669-F757 AromaticContact CE1-CG 3.98Å; H669-F757 AromaticContact CE1-CZ 3.48Å; H669-F757 VanDerWaalsContact CE1-CZ 3.48Å; H669-F757 WeakPolarHBondContact CE1-CZ 3.41Å; H669-F757 AromaticContact ND1-CE1 3.86Å; H669-F757 AromaticContact ND1-CE2 3.89Å; H669-F757 AromaticContact ND1-CZ 3.55Å; L672-F757 HydrophobicContact CD1-CE2 4.31Å; L672-F757 HydrophobicContact CD1-CZ 3.87Å; P731-F757 HydrophobicContact CB-CE2 4.24Å; P731-F757 HydrophobicContact CB-CZ 4.43Å; P731-F757 HydrophobicContact CG-CE2 4.3Å; Y738-F757 HydrophobicContact CD1-CE2 4.34Å; Y738-F757 HydrophobicContact CD2-CD2 4.13Å; Y738-F757 HydrophobicContact CD2-CE2 4.02Å; Y738-F757 AromaticContact CE1-CE2 3.99Å; Y738-F757 HydrophobicContact CE1-CE2 3.99Å; Y738-F757 AromaticContact CE2-CD2 3.99Å; Y738-F757 HydrophobicContact CE2-CD2 3.99Å; Y738-F757 AromaticContact CE2-CE2 3.63Å; Y738-F757 HydrophobicContact CE2-CE2 3.63Å; Y738-F757 HydrophobicContact CG-CE2 4.36Å; Y738-F757 AromaticContact CZ-CE2 3.62Å; F757-R761 HydrophobicContact CD1-CB 3.66Å; F757-R761 HydrophobicContact CE1-CB 4.2Å; F757-R762 HydrophobicContact CB-CB 4.29Å; F757-V765 HydrophobicContact CD1-CG2 4.49Å; F757-V765 HydrophobicContact CE1-CG1 4.01Å; F757-V765 HydrophobicContact CE1-CG2 4.04Å; F757-V765 HydrophobicContact CZ-CG1 4.46Å; F757-V765 HydrophobicContact CZ-CG2 4.3Å
758	N	93.8	Very high	93.1	Very high	80 Å²	80	79.4 Å²	79.4	43%	0.428	39%	0.394	S	S	.	.			trans	-77	167.2	161.3	71.2	-0.8	0	0	0	109.5	E760 R761 R762	N758-E760 VanDerWaalsContact C-N 3.3Å; N758-E760 PolarHBondContact O-N 2.84Å; N758-R761 PolarHBondContact O-N 3.01Å; N758-R761 WeakPolarHBondContact OD1-CB 3.45Å; N758-R761 WeakPolarHBondContact OD1-CG 3.36Å; N758-R761 PolarHBondContact OD1-N 2.78Å; N758-R762 WeakPolarHBondContact O-CB 3.35Å; N758-R762 PolarHBondContact O-N 3.38Å
759	E	94.6	Very high	93.4	Very high	107 Å²	107	76 Å²	76	50%	0.5	38%	0.376	S	S	.	.	H	α-helix	trans	-61.4	-37.9	-174.4	-172.5	55.7	-152.2	0	0	112.8	R762 Q763	E759-R762 PolarHBondContact O-N 2.81Å; E759-Q763 VanDerWaalsContact O-CG 3.3Å; E759-Q763 WeakPolarHBondContact O-CG 3.19Å; E759-Q763 PolarHBondContact O-N 3.4Å; E759-Q763 PolarHBondContact OE1-NE2 3.47Å
760	E	94.9	Very high	93.8	Very high	150 Å²	150	74.3 Å²	74.3	70%	0.701	37%	0.367	S	S	*	.	H	α-helix	trans	-61.4	-49.8	176.9	-174.9	-173.9	-178.1	0	0	112	N758 R762 Q763 L764	N758-E760 VanDerWaalsContact C-N 3.3Å; N758-E760 PolarHBondContact O-N 2.84Å; E760-R762 VanDerWaalsContact C-N 3.34Å; E760-R762 PolarHBondContact O-N 3.32Å; E760-Q763 PolarHBondContact O-N 2.93Å; E760-L764 WeakPolarHBondContact O-CB 3.08Å; E760-L764 PolarHBondContact O-N 3.31Å
761	R	94.5	Very high	94.2	Very high	96 Å²	96	67.1 Å²	67.1	36%	0.362	33%	0.328	S	S	.	.	H	α-helix	trans	-68.6	-35.9	179.2	-69.8	176.8	-178.9	-173.7	5.2	111.7	H669 L673 F757 N758 Q763 L764 V765	H669-R761 PolarHBondContact NE2-NH1 3.25Å; L673-R761 HydrophobicContact CD2-CB 4.13Å; L673-R761 HydrophobicContact CD2-CG 3.95Å; F757-R761 HydrophobicContact CD1-CB 3.66Å; F757-R761 HydrophobicContact CE1-CB 4.2Å; N758-R761 PolarHBondContact O-N 3.01Å; N758-R761 WeakPolarHBondContact OD1-CB 3.45Å; N758-R761 WeakPolarHBondContact OD1-CG 3.36Å; N758-R761 PolarHBondContact OD1-N 2.78Å; R761-Q763 VanDerWaalsContact C-N 3.33Å; R761-Q763 PolarHBondContact O-N 3.14Å; R761-L764 WeakPolarHBondContact O-CB 3.5Å; R761-L764 PolarHBondContact O-N 3.4Å; R761-V765 WeakPolarHBondContact O-CG2 3.43Å; R761-V765 PolarHBondContact O-N 2.98Å
762	R	95.8	Very high	94.7	Very high	83 Å²	83	65.9 Å²	65.9	31%	0.313	32%	0.32	S	S	.	.	H	α-helix	trans	-57.8	-47.3	173.7	-177.4	178.6	-175.6	-176.1	3.2	110.9	S735 G736 F757 N758 E759 E760 L764 R766	S735-R762 PolarHBondContact O-NE 2.84Å; S735-R762 VanDerWaalsContact O-NE 3.14Å; S735-R762 PolarHBondContact O-NH2 2.89Å; G736-R762 WeakPolarHBondContact O-CG 3.36Å; F757-R762 HydrophobicContact CB-CB 4.29Å; N758-R762 WeakPolarHBondContact O-CB 3.35Å; N758-R762 PolarHBondContact O-N 3.38Å; E759-R762 PolarHBondContact O-N 2.81Å; E760-R762 VanDerWaalsContact C-N 3.34Å; E760-R762 PolarHBondContact O-N 3.32Å; R762-L764 VanDerWaalsContact C-N 3.33Å; R762-R766 WeakPolarHBondContact O-CB 3.13Å; R762-R766 PolarHBondContact O-N 3.18Å
763	Q	95.8	Very high	95.4	Very high	120 Å²	120	58.1 Å²	58.1	56%	0.561	28%	0.279	S	S	*	.	H	α-helix	trans	-67.5	-35.1	176.5	-70.3	177	9.8	0	0	112.2	R680 E759 E760 R761	R680-Q763 PolarHBondContact NH2-O 3.39Å; E759-Q763 VanDerWaalsContact O-CG 3.3Å; E759-Q763 WeakPolarHBondContact O-CG 3.19Å; E759-Q763 PolarHBondContact O-N 3.4Å; E759-Q763 PolarHBondContact OE1-NE2 3.47Å; E760-Q763 PolarHBondContact O-N 2.93Å; R761-Q763 VanDerWaalsContact C-N 3.33Å; R761-Q763 PolarHBondContact O-N 3.14Å
764	L	96.8	Very high	95.9	Very high	48 Å²	48	53.1 Å²	53.1	25%	0.251	26%	0.256	S	S	.	.	H	α-helix	trans	-60	-50.7	176.8	179.7	63.9	0	0	0	111.6	L673 A676 L677 R680 E760 R761 R762 T768	L673-L764 HydrophobicContact CD2-CD2 4.1Å; A676-L764 HydrophobicContact CB-CG 4Å; L677-L764 HydrophobicContact CD2-CD1 4.25Å; L677-L764 HydrophobicContact CD2-CD2 4.16Å; L677-L764 HydrophobicContact CG-CD2 4.35Å; R680-L764 HydrophobicContact CG-CD1 4.15Å; R680-L764 PolarHBondContact NE-O 3Å; R680-L764 PolarHBondContact NH2-O 3.36Å; E760-L764 WeakPolarHBondContact O-CB 3.08Å; E760-L764 PolarHBondContact O-N 3.31Å; R761-L764 WeakPolarHBondContact O-CB 3.5Å; R761-L764 PolarHBondContact O-N 3.4Å; R762-L764 VanDerWaalsContact C-N 3.33Å; L764-T768 WeakPolarHBondContact O-CG2 3.45Å
765	V	97.4	Very high	96.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-81.2	-31.5	-174.2	-58.5	0	0	0	0	114.1	L672 L673 A676 P731 F757 R761 G767 T768	L672-V765 HydrophobicContact CB-CG1 4.44Å; L673-V765 HydrophobicContact CD2-CG1 4.15Å; A676-V765 HydrophobicContact CB-CB 4.32Å; A676-V765 HydrophobicContact CB-CG1 3.89Å; P731-V765 HydrophobicContact CB-CG2 4.23Å; F757-V765 HydrophobicContact CD1-CG2 4.49Å; F757-V765 HydrophobicContact CE1-CG1 4.01Å; F757-V765 HydrophobicContact CE1-CG2 4.04Å; F757-V765 HydrophobicContact CZ-CG1 4.46Å; F757-V765 HydrophobicContact CZ-CG2 4.3Å; R761-V765 WeakPolarHBondContact O-CG2 3.43Å; R761-V765 PolarHBondContact O-N 2.98Å; V765-G767 PolarHBondContact O-N 2.94Å; V765-T768 WeakPolarHBondContact O-CG2 3.18Å; V765-T768 PolarHBondContact O-N 3.35Å; V765-T768 PolarHBondContact O-OG1 3.49Å
766	R	97.2	Very high	96.4	Very high	138 Å²	138	51 Å²	51	52%	0.521	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	127	-175.6	-171.9	177.8	-176	-166.2	-2.8	111	R680 G734 R762	R680-R766 PolarHBondContact NH2-O 3.35Å; R680-R766 VanDerWaalsContact NH2-O 3.08Å; G734-R766 PolarHBondContact O-NE 2.74Å; R762-R766 WeakPolarHBondContact O-CB 3.13Å; R762-R766 PolarHBondContact O-N 3.18Å
767	G	96.8	Very high	96.6	Very high	32 Å²	32	47.1 Å²	47.1	33%	0.33	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	16.5	176.2	0	0	0	0	0	114.8	I732 V765 Y769	I732-G767 WeakPolarHBondContact O-CA 3.38Å; I732-G767 PolarHBondContact O-N 3.25Å; V765-G767 PolarHBondContact O-N 2.94Å; G767-Y769 PolarHBondContact O-N 3.33Å
768	T	98.1	Very high	96.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.215	C	C	.	.			trans	-82.1	50.8	178.3	60.3	0	0	0	0	113	H675 A676 W679 R680 L764 V765	H675-T768 PolarHBondContact CD2-OG1 2.81Å; H675-T768 PolarHBondContact CE1-O 3.32Å; H675-T768 PolarHBondContact NE2-O 2.93Å; H675-T768 PolarHBondContact NE2-OG1 3.44Å; H675-T768 VanDerWaalsContact NE2-OG1 3.1Å; A676-T768 HydrophobicContact CB-CG2 3.94Å; W679-T768 VanDerWaalsContact CD1-C 3.47Å; W679-T768 HydrophobicContact CD2-CG2 4.22Å; W679-T768 HydrophobicContact CE3-CG2 3.78Å; W679-T768 HydrophobicContact CZ3-CG2 4.4Å; R680-T768 HydrophobicContact CG-CG2 4.32Å; L764-T768 WeakPolarHBondContact O-CG2 3.45Å; V765-T768 WeakPolarHBondContact O-CG2 3.18Å; V765-T768 PolarHBondContact O-N 3.35Å; V765-T768 PolarHBondContact O-OG1 3.49Å
769	Y	97.8	Very high	96.8	Very high	62 Å²	62	42.8 Å²	42.8	24%	0.243	20%	0.195	C	C	.	.			trans	-143.1	149.3	179.8	67.7	-88.4	0	0	0	111.3	I732 F733 G767 V832	I732-Y769 HydrophobicContact CG2-CD1 3.85Å; I732-Y769 HydrophobicContact CG2-CG 4.32Å; I732-Y769 WeakPolarHBondContact O-CD1 3.48Å; I732-Y769 WeakPolarHBondContact O-CE1 3.41Å; F733-Y769 HydrophobicContact CB-CE1 4.28Å; F733-Y769 AromaticContact CD1-CD1 3.49Å; F733-Y769 HydrophobicContact CD1-CD1 3.49Å; F733-Y769 VanDerWaalsContact CD1-CD1 3.49Å; F733-Y769 AromaticContact CD1-CD2 3.49Å; F733-Y769 HydrophobicContact CD1-CD2 3.49Å; F733-Y769 VanDerWaalsContact CD1-CD2 3.49Å; F733-Y769 AromaticContact CD1-CE1 3.76Å; F733-Y769 HydrophobicContact CD1-CE1 3.76Å; F733-Y769 AromaticContact CD1-CE2 3.76Å; F733-Y769 HydrophobicContact CD1-CE2 3.76Å; F733-Y769 AromaticContact CD1-CG 3.34Å; F733-Y769 HydrophobicContact CD1-CG 3.34Å; F733-Y769 AromaticContact CD1-CZ 3.88Å; F733-Y769 AromaticContact CE1-CD1 3.89Å; F733-Y769 HydrophobicContact CE1-CD1 3.89Å; F733-Y769 AromaticContact CE1-CD2 3.46Å; F733-Y769 HydrophobicContact CE1-CD2 3.46Å; F733-Y769 VanDerWaalsContact CE1-CD2 3.46Å; F733-Y769 HydrophobicContact CE1-CE2 4.18Å; F733-Y769 AromaticContact CE1-CG 3.28Å; F733-Y769 HydrophobicContact CE1-CG 3.28Å; F733-Y769 HydrophobicContact CG-CD1 4.15Å; F733-Y769 HydrophobicContact CG-CE1 4.32Å; F733-Y769 HydrophobicContact CG-CG 4.37Å; F733-Y769 HydrophobicContact CZ-CG 4.27Å; G767-Y769 PolarHBondContact O-N 3.33Å; Y769-V832 HydrophobicContact CD2-CG2 3.94Å; Y769-V832 HydrophobicContact CE2-CB 4.41Å; Y769-V832 HydrophobicContact CE2-CG2 3.66Å
770	D	98.1	Very high	96.7	Very high	33 Å²	33	40.6 Å²	40.6	18%	0.176	18%	0.184	C	C	.	.	S	Bend	trans	-108.4	-17.5	170	-62	-20.8	0	0	0	113.2	W679 R687 R693 V694	W679-D770 WeakPolarHBondContact CZ2-OD1 3.33Å; W679-D770 PolarHBondContact NE1-OD1 2.74Å; R687-D770 IonicContact CZ-OD1 2.86Å; R687-D770 IonicContact CZ-OD2 2.77Å; R687-D770 VanDerWaalsContact CZ-OD2 3.28Å; R687-D770 IonicContact NH1-OD1 3.58Å; R687-D770 PolarHBondContact NH1-OD1 2.76Å; R687-D770 IonicContact NH1-OD2 3.52Å; R687-D770 PolarHBondContact NH1-OD2 3.42Å; R687-D770 VanDerWaalsContact NH2-CG 3.3Å; R687-D770 IonicContact NH2-OD1 2.66Å; R687-D770 PolarHBondContact NH2-OD1 2.97Å; R687-D770 IonicContact NH2-OD2 3.41Å; R687-D770 PolarHBondContact NH2-OD2 2.98Å; R693-D770 WeakPolarHBondContact CA-OD2 3.24Å; R693-D770 HydrophobicContact CB-CB 3.84Å; R693-D770 HydrophobicContact CG-CB 4.1Å; V694-D770 PolarHBondContact N-OD2 2.97Å; V694-D770 WeakPolarHBondContact O-CB 3.39Å; V694-D770 PolarHBondContact O-N 3.05Å; V694-D770 VanDerWaalsContact O-N 3.1Å
771	F	98.3	Very high	96.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-162.3	161	-179.6	56.4	-89.3	0	0	0	109.3	M651 I653 R693 S695 A773 P833 Y835	M651-F771 HydrophobicContact CE-CD2 3.92Å; M651-F771 HydrophobicContact CE-CE1 4Å; M651-F771 HydrophobicContact CE-CE2 3.3Å; M651-F771 HydrophobicContact CE-CG 4.5Å; M651-F771 HydrophobicContact CE-CZ 3.36Å; M651-F771 HydrophobicContact CG-CE1 4.02Å; M651-F771 HydrophobicContact CG-CZ 3.78Å; M651-F771 HydrophobicContact SD-CZ 4.42Å; I653-F771 HydrophobicContact CD1-CE2 3.75Å; I653-F771 HydrophobicContact CD1-CZ 3.81Å; R693-F771 HydrophobicContact CB-CD1 4Å; R693-F771 HydrophobicContact CB-CE1 3.8Å; S695-F771 VanDerWaalsContact CB-O 3.24Å; S695-F771 WeakPolarHBondContact CB-O 3.18Å; S695-F771 PolarHBondContact OG-O 3.37Å; F771-A773 HydrophobicContact CD2-CB 3.89Å; F771-A773 HydrophobicContact CE2-CB 3.6Å; F771-P833 CarbonylContact C-O 3.09Å; F771-P833 WeakPolarHBondContact CA-O 3.44Å; F771-P833 HydrophobicContact CB-CB 4.27Å; F771-P833 WeakPolarHBondContact CB-O 3.48Å; F771-Y835 HydrophobicContact CB-CD2 3.86Å; F771-Y835 HydrophobicContact CB-CE2 3.92Å; F771-Y835 AromaticContact CD2-CD2 3.58Å; F771-Y835 HydrophobicContact CD2-CD2 3.58Å; F771-Y835 HydrophobicContact CD2-CE2 4.2Å; F771-Y835 HydrophobicContact CD2-CG 4.38Å; F771-Y835 HydrophobicContact CE2-CD2 4.33Å; F771-Y835 AromaticContact CG-CD2 3.82Å; F771-Y835 HydrophobicContact CG-CD2 3.82Å; F771-Y835 AromaticContact CG-CE2 3.99Å; F771-Y835 HydrophobicContact CG-CE2 3.99Å
772	F	98.4	Very high	96.6	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	116.5	172.3	-164.5	-80.5	0	0	0	109	L698 M700 A729 F733 M774 V825 Y829 V832 P833 I834 Y835	L698-F772 HydrophobicContact CD1-CZ 4.23Å; M700-F772 HydrophobicContact SD-CE1 4.45Å; A729-F772 HydrophobicContact CB-CE2 4.24Å; F733-F772 AromaticContact CD1-CD2 3.83Å; F733-F772 HydrophobicContact CD1-CD2 3.83Å; F733-F772 AromaticContact CD2-CD2 3.8Å; F733-F772 HydrophobicContact CD2-CD2 3.8Å; F733-F772 AromaticContact CD2-CE2 3.74Å; F733-F772 HydrophobicContact CD2-CE2 3.74Å; F733-F772 HydrophobicContact CE1-CB 4.12Å; F733-F772 AromaticContact CE1-CD2 3.63Å; F733-F772 HydrophobicContact CE1-CD2 3.63Å; F733-F772 HydrophobicContact CE1-CE2 4.5Å; F733-F772 HydrophobicContact CE1-CG 4.27Å; F733-F772 AromaticContact CE2-CD2 3.63Å; F733-F772 HydrophobicContact CE2-CD2 3.63Å; F733-F772 AromaticContact CE2-CE2 3.7Å; F733-F772 HydrophobicContact CE2-CE2 3.7Å; F733-F772 AromaticContact CG-CD2 3.92Å; F733-F772 HydrophobicContact CG-CD2 3.92Å; F733-F772 HydrophobicContact CG-CE2 4.21Å; F733-F772 HydrophobicContact CZ-CB 4.41Å; F733-F772 AromaticContact CZ-CD2 3.56Å; F733-F772 HydrophobicContact CZ-CD2 3.56Å; F733-F772 HydrophobicContact CZ-CE2 4.11Å; F733-F772 HydrophobicContact CZ-CG 4.2Å; F772-M774 HydrophobicContact CD1-CB 4.32Å; F772-M774 HydrophobicContact CE1-CB 4.04Å; F772-V825 HydrophobicContact CB-CG1 4.14Å; F772-V825 HydrophobicContact CD1-CG1 3.74Å; F772-V825 HydrophobicContact CD1-CG2 4Å; F772-V825 HydrophobicContact CD2-CG1 3.78Å; F772-V825 HydrophobicContact CE1-CB 4.47Å; F772-V825 HydrophobicContact CE1-CG1 4.04Å; F772-V825 HydrophobicContact CE1-CG2 3.53Å; F772-V825 HydrophobicContact CE2-CG1 4.08Å; F772-V825 HydrophobicContact CE2-CG2 4.38Å; F772-V825 HydrophobicContact CG-CG1 3.61Å; F772-V825 HydrophobicContact CZ-CG1 4.2Å; F772-V825 HydrophobicContact CZ-CG2 3.75Å; F772-Y829 HydrophobicContact CD2-CD2 4.2Å; F772-Y829 AromaticContact CE2-CD2 3.77Å; F772-Y829 HydrophobicContact CE2-CD2 3.77Å; F772-Y829 AromaticContact CE2-CE2 3.95Å; F772-Y829 HydrophobicContact CE2-CE2 3.95Å; F772-V832 HydrophobicContact CB-CG1 3.81Å; F772-V832 HydrophobicContact CB-CG2 4.02Å; F772-P833 PolarHBondContact N-O 2.76Å; F772-I834 HydrophobicContact CB-CG1 4.46Å; F772-I834 HydrophobicContact CD1-CG2 4.43Å; F772-I834 CarbonylContact O-C 3.56Å; F772-I834 WeakPolarHBondContact O-CA 3.44Å; F772-Y835 PolarHBondContact O-N 2.84Å
773	A	98.3	Very high	96.4	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.008	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129.6	178	0	0	0	0	0	109.7	I653 L696 A697 L698 F771 Y835 M837	I653-A773 HydrophobicContact CD1-CB 3.91Å; L696-A773 VanDerWaalsContact O-CB 3.27Å; L696-A773 WeakPolarHBondContact O-CB 3.48Å; A697-A773 WeakPolarHBondContact CA-O 3.23Å; A697-A773 HydrophobicContact CB-CB 4.02Å; L698-A773 PolarHBondContact N-O 3.02Å; F771-A773 HydrophobicContact CD2-CB 3.89Å; F771-A773 HydrophobicContact CE2-CB 3.6Å; A773-Y835 WeakPolarHBondContact CA-O 3.02Å; A773-M837 HydrophobicContact CB-CG 3.51Å; A773-M837 HydrophobicContact CB-SD 4.47Å
774	M	97.4	Very high	96.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	143.8	-177.8	68.6	-178.9	-59.3	0	0	112.4	L698 M700 F772 H776 L818 A821 L822 I834 Y835 V836 M837	L698-M774 CarbonylContact O-C 3.46Å; L698-M774 WeakPolarHBondContact O-CA 3.44Å; M700-M774 HydrophobicContact CB-CB 4.43Å; M700-M774 HydrophobicContact CB-CE 3.84Å; M700-M774 HydrophobicContact CG-CE 3.82Å; M700-M774 HydrophobicContact SD-CE 3.77Å; F772-M774 HydrophobicContact CD1-CB 4.32Å; F772-M774 HydrophobicContact CE1-CB 4.04Å; M774-H776 HydrophobicContact CE-CB 4.02Å; M774-L818 HydrophobicContact CE-CD1 4.38Å; M774-A821 HydrophobicContact CE-CB 3.78Å; M774-L822 HydrophobicContact SD-CD2 3.68Å; M774-L822 HydrophobicContact SD-CG 4.39Å; M774-I834 HydrophobicContact SD-CG2 4.21Å; M774-Y835 PolarHBondContact N-O 3.24Å; M774-V836 HydrophobicContact CG-CG2 4.25Å; M774-V836 CarbonylContact O-C 3.55Å; M774-V836 WeakPolarHBondContact O-CA 3.47Å; M774-V836 HydrophobicContact SD-CG2 4.4Å; M774-M837 PolarHBondContact O-N 3.26Å
775	S	97.3	Very high	95.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	125.3	165.1	-62.6	0	0	0	0	108.3	E657 L698 M700 A838	E657-S775 WeakPolarHBondContact OE1-CB 3.4Å; E657-S775 PolarHBondContact OE1-OG 3.47Å; L698-S775 PolarHBondContact O-N 3.39Å; M700-S775 PolarHBondContact N-O 2.72Å; S775-A838 WeakPolarHBondContact CA-O 3.5Å
776	H	97.9	Very high	95.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.12	C	C	.	.			trans	-130.8	133.1	-178.7	177.9	82.7	0	0	0	108.4	M700 M774 S778 L818 A838 N839 Y860	M700-H776 PolarHBondContact O-ND1 2.78Å; M774-H776 HydrophobicContact CE-CB 4.02Å; H776-S778 PolarHBondContact CE1-O 3.34Å; H776-L818 HydrophobicContact CB-CD1 3.87Å; H776-L818 PolarHBondContact NE2-N 3.03Å; H776-A838 PolarHBondContact N-O 3.06Å; H776-N839 WeakPolarHBondContact O-CA 3.22Å; H776-N839 PolarHBondContact O-ND2 2.67Å; H776-Y860 AromaticContact CD2-CE1 3.56Å; H776-Y860 AromaticContact NE2-CE1 3.56Å
777	F	95.8	Very high	94.8	Very high	25 Å²	25	19.5 Å²	19.5	11%	0.11	10%	0.1	C	C	.	.			trans	-127.7	-33.1	-178.9	-64.6	-82.8	0	0	0	112.3	H699 D701 A838 G840 Y856 Y860 Y881	H699-F777 AromaticContact CE1-CD2 3.81Å; H699-F777 AromaticContact ND1-CD2 3.88Å; D701-F777 PolarHBondContact OD1-N 2.89Å; F777-A838 HydrophobicContact CE1-CB 4.39Å; F777-A838 HydrophobicContact CE2-CB 4.46Å; F777-A838 HydrophobicContact CZ-CB 3.74Å; F777-G840 WeakPolarHBondContact CD1-O 3.13Å; F777-Y856 WeakPolarHBondContact CA-OH 3.37Å; F777-Y856 PolarHBondContact O-OH 3.2Å; F777-Y860 PolarHBondContact O-OH 3.18Å; F777-Y881 AromaticContact CE1-CD1 3.71Å; F777-Y881 HydrophobicContact CE1-CD1 3.71Å; F777-Y881 HydrophobicContact CE1-CE1 4.35Å; F777-Y881 HydrophobicContact CE1-CG 4.08Å; F777-Y881 HydrophobicContact CZ-CD1 4.23Å; F777-Y881 HydrophobicContact CZ-CG 4.37Å
778	S	95.9	Very high	94.3	Very high	3 Å²	3	21 Å²	21	2%	0.021	10%	0.1	C	C	.	.			trans	-157.6	-179.7	-169.5	-164.4	0	0	0	0	113.2	D701 W702 H776 P812	D701-S778 WeakPolarHBondContact CA-O 3.1Å; D701-S778 WeakPolarHBondContact CB-O 3.17Å; D701-S778 PolarHBondContact OD1-N 3.42Å; W702-S778 PolarHBondContact N-O 3.44Å; H776-S778 PolarHBondContact CE1-O 3.34Å; S778-P812 WeakPolarHBondContact OG-CD 3.47Å; S778-P812 VanDerWaalsContact OG-CG 3.27Å; S778-P812 WeakPolarHBondContact OG-CG 3.42Å; S778-P812 PolarHBondContact OG-O 3.32Å
779	T	95.6	Very high	93.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	135.3	173.4	-61.6	0	0	0	0	109.9	W702 E704 W806 P812 V814 W816 G817	W702-T779 HydrophobicContact CB-CG2 4.23Å; W702-T779 HydrophobicContact CG-CG2 4.29Å; W702-T779 CarbonylContact O-C 3.6Å; W702-T779 VanDerWaalsContact O-CA 3.25Å; W702-T779 WeakPolarHBondContact O-CA 3.28Å; E704-T779 HydrophobicContact CB-CG2 4.12Å; T779-W806 HydrophobicContact CG2-CH2 4.14Å; T779-P812 WeakPolarHBondContact O-CG 3.08Å; T779-V814 HydrophobicContact CG2-CG1 4.36Å; T779-W816 HydrophobicContact CG2-CH2 4.27Å; T779-W816 HydrophobicContact CG2-CZ3 4.48Å; T779-G817 WeakPolarHBondContact OG1-CA 3.44Å
780	K	92.4	Very high	93.3	Very high	62 Å²	62	32.7 Å²	32.7	27%	0.27	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	144.6	172.7	-60.9	179.3	177.6	178.7	0	109.4	E661 W702 V703 E704	E661-K780 IonicContact OE1-NZ 3.62Å; E661-K780 PolarHBondContact OE1-NZ 3.44Å; W702-K780 PolarHBondContact O-N 3.28Å; V703-K780 WeakPolarHBondContact CA-O 3.29Å; E704-K780 PolarHBondContact N-O 3.06Å
781	L	94.3	Very high	92.9	Very high	2 Å²	2	34 Å²	34	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	147.3	165.2	-70.2	171.9	0	0	0	110.2	Y398 E704 M801 D803 W806	Y398-L781 HydrophobicContact CD2-CD1 4.45Å; Y398-L781 HydrophobicContact CE1-CD1 3.96Å; Y398-L781 HydrophobicContact CE2-CD1 3.74Å; Y398-L781 VanDerWaalsContact CZ-CD1 3.46Å; E704-L781 HydrophobicContact CB-CD2 3.79Å; E704-L781 HydrophobicContact CG-CD2 4.06Å; E704-L781 VanDerWaalsContact O-CA 3.29Å; E704-L781 WeakPolarHBondContact O-CA 3.33Å; L781-M801 HydrophobicContact CB-CB 3.94Å; L781-M801 WeakPolarHBondContact CB-O 3.24Å; L781-M801 PolarHBondContact N-O 2.89Å; L781-M801 VanDerWaalsContact N-O 3.12Å; L781-M801 PolarHBondContact O-N 2.78Å; L781-D803 HydrophobicContact CD1-CB 3.86Å; L781-W806 HydrophobicContact CD1-CH2 3.93Å; L781-W806 HydrophobicContact CD1-CZ2 4.41Å; L781-W806 HydrophobicContact CD1-CZ3 4.31Å; L781-W806 HydrophobicContact CD2-CH2 3.92Å; L781-W806 HydrophobicContact CG-CH2 3.62Å; L781-W806 HydrophobicContact CG-CZ2 4.45Å; L781-W806 HydrophobicContact CG-CZ3 4.05Å
782	V	94	Very high	92.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	146.7	177.2	-66.3	0	0	0	0	112.7	V703 E704 P705 A706 A717 V720 V798 Q799	V703-V782 HydrophobicContact CG1-CB 4.23Å; V703-V782 HydrophobicContact CG1-CG1 3.69Å; V703-V782 HydrophobicContact CG1-CG2 3.49Å; V703-V782 VanDerWaalsContact CG1-CG2 3.49Å; E704-V782 PolarHBondContact O-N 2.54Å; P705-V782 CarbonylContact C-O 3.46Å; A706-V782 WeakPolarHBondContact CB-O 3.31Å; A706-V782 PolarHBondContact N-O 2.88Å; A717-V782 HydrophobicContact CB-CG2 3.63Å; V720-V782 HydrophobicContact CG2-CG1 4.39Å; V782-V798 HydrophobicContact CB-CG2 3.44Å; V782-V798 VanDerWaalsContact CB-CG2 3.44Å; V782-V798 HydrophobicContact CG1-CG2 3.69Å; V782-V798 HydrophobicContact CG2-CG2 4.29Å; V782-Q799 WeakPolarHBondContact CA-O 3.44Å
783	T	91.4	Very high	92.3	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	157.2	170.7	179.2	0	0	0	0	109.5	P394 D713 A785 Q799 M801	P394-T783 HydrophobicContact CG-CG2 3.82Å; D713-T783 WeakPolarHBondContact OD1-CA 3.41Å; D713-T783 VanDerWaalsContact OD1-CB 3.26Å; D713-T783 WeakPolarHBondContact OD1-CB 3.27Å; D713-T783 PolarHBondContact OD1-OG1 3.08Å; T783-A785 VanDerWaalsContact C-N 3.3Å; T783-A785 HydrophobicContact CG2-CB 4.29Å; T783-A785 PolarHBondContact OG1-N 3.2Å; T783-Q799 HydrophobicContact CG2-CB 3.65Å; T783-Q799 HydrophobicContact CG2-CG 3.89Å; T783-Q799 PolarHBondContact N-O 2.95Å; T783-Q799 PolarHBondContact O-N 3.33Å; T783-M801 HydrophobicContact CG2-CG 4.26Å; T783-M801 HydrophobicContact CG2-SD 3.51Å; T783-M801 VanDerWaalsContact CG2-SD 3.51Å
784	H	88.3	Confident	91.9	Very high	66 Å²	66	43.3 Å²	43.3	31%	0.306	21%	0.213	S	C	.	.	S	Bend	trans	-75.7	-23.2	171.6	84.2	-93.5	0	0	0	112.2	E392 E712 D713 P716 K786	E392-H784 IonicContact OE1-CE1 3.1Å; E392-H784 IonicContact OE2-CE1 3.66Å; E392-H784 PolarHBondContact OE2-CE1 3.17Å; E392-H784 IonicContact OE2-ND1 3.61Å; E392-H784 PolarHBondContact OE2-ND1 3.46Å; E392-H784 IonicContact OE2-NE2 3.95Å; E712-H784 VanDerWaalsContact CB-CE1 3.43Å; E712-H784 WeakPolarHBondContact CB-CE1 3.27Å; E712-H784 WeakPolarHBondContact CB-ND1 3.37Å; E712-H784 IonicContact OE2-CE1 3.95Å; E712-H784 PolarHBondContact OE2-CE1 3.4Å; E712-H784 IonicContact OE2-NE2 3.31Å; D713-H784 PolarHBondContact OD1-N 2.87Å; D713-H784 IonicContact OD1-ND1 3.05Å; P716-H784 HydrophobicContact CG-CB 3.87Å; H784-K786 PolarHBondContact O-N 2.94Å
785	A	85.6	Confident	91.5	Very high	18 Å²	18	47.8 Å²	47.8	15%	0.149	24%	0.235	C	C	.	.	S	Bend	trans	-69.5	116.4	-176.2	0	0	0	0	0	111.8	E392 T783 E787 Q799	E392-A785 HydrophobicContact CB-CB 4.26Å; T783-A785 VanDerWaalsContact C-N 3.3Å; T783-A785 HydrophobicContact CG2-CB 4.29Å; T783-A785 PolarHBondContact OG1-N 3.2Å; A785-E787 PolarHBondContact O-N 3.43Å; A785-Q799 WeakPolarHBondContact O-CB 3.47Å; A785-Q799 WeakPolarHBondContact O-CG 3.34Å
786	K	89.9	Confident	91.2	Very high	85 Å²	85	48.1 Å²	48.1	37%	0.37	24%	0.237	S	C	.	.			trans	-75.8	115.9	176.2	-174.5	175.3	-169.8	167.2	0	111	H784 Y792 E794	H784-K786 PolarHBondContact O-N 2.94Å; K786-Y792 HydrophobicContact CB-CD2 3.88Å; K786-Y792 HydrophobicContact CB-CE2 3.73Å; K786-Y792 HydrophobicContact CD-CD1 3.98Å; K786-Y792 HydrophobicContact CD-CD2 4.29Å; K786-Y792 HydrophobicContact CD-CE1 4.01Å; K786-Y792 HydrophobicContact CD-CE2 4.33Å; K786-Y792 HydrophobicContact CD-CG 4.12Å; K786-Y792 HydrophobicContact CG-CD1 4.26Å; K786-Y792 HydrophobicContact CG-CD2 3.73Å; K786-Y792 HydrophobicContact CG-CE1 4.49Å; K786-Y792 HydrophobicContact CG-CE2 4Å; K786-Y792 HydrophobicContact CG-CG 3.88Å; K786-E794 IonicContact NZ-OE1 2.7Å; K786-E794 PolarHBondContact NZ-OE1 2.84Å; K786-E794 IonicContact NZ-OE2 3.37Å
787	E	88.3	Confident	91	Very high	20 Å²	20	52.2 Å²	52.2	9%	0.093	26%	0.256	C	S	.	.			trans	-126.4	-26.7	-175.4	-179.2	64.7	-154	0	0	112.5	V385 L386 T389 K395 A785	V385-E787 VanDerWaalsContact CA-OE1 3.22Å; V385-E787 WeakPolarHBondContact CA-OE1 3.24Å; L386-E787 WeakPolarHBondContact CD1-O 3.49Å; L386-E787 PolarHBondContact N-OE1 2.8Å; L386-E787 VanDerWaalsContact N-OE1 3.09Å; T389-E787 PolarHBondContact OG1-OE2 3.37Å; K395-E787 HydrophobicContact CB-CG 4.2Å; K395-E787 HydrophobicContact CD-CG 3.38Å; K395-E787 WeakPolarHBondContact CD-OE1 3.47Å; K395-E787 HydrophobicContact CG-CG 4.48Å; K395-E787 IonicContact NZ-OE1 3.95Å; K395-E787 PolarHBondContact NZ-OE1 3.24Å; A785-E787 PolarHBondContact O-N 3.43Å
788	D	87.1	Confident	90.9	Very high	64 Å²	64	51 Å²	51	34%	0.342	25%	0.251	S	S	.	.			trans	-146.2	114.7	176.4	175.3	11.6	0	0	0	110.8	Y790 T791 Y792 Q799	D788-Y790 PolarHBondContact O-N 2.83Å; D788-Y790 VanDerWaalsContact O-N 3.14Å; D788-Y790 WeakPolarHBondContact OD1-CD2 3.31Å; D788-Y790 PolarHBondContact OD1-N 3.2Å; D788-T791 WeakPolarHBondContact CB-OG1 3.27Å; D788-T791 PolarHBondContact O-N 3.37Å; D788-T791 VanDerWaalsContact O-N 3.13Å; D788-T791 PolarHBondContact O-OG1 3.37Å; D788-T791 PolarHBondContact OD2-OG1 3.08Å; D788-Y792 WeakPolarHBondContact O-CB 3.5Å; D788-Y792 PolarHBondContact O-N 2.77Å; D788-Y792 VanDerWaalsContact O-N 3.11Å; D788-Q799 PolarHBondContact O-OE1 2.91Å
789	S	87.8	Confident	90.8	Very high	86 Å²	86	51.1 Å²	51.1	60%	0.601	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.6	-179.3	-57.8	0	0	0	0	114	T791	S789-T791 VanDerWaalsContact C-N 3.32Å
790	Y	88	Confident	90.6	Very high	220 Å²	220	53 Å²	53	86%	0.863	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-25.4	179.7	-69.4	-72.5	0	0	0	113.5	D788	D788-Y790 PolarHBondContact O-N 2.83Å; D788-Y790 VanDerWaalsContact O-N 3.14Å; D788-Y790 WeakPolarHBondContact OD1-CD2 3.31Å; D788-Y790 PolarHBondContact OD1-N 3.2Å
791	T	89.9	Confident	90.6	Very high	61 Å²	61	51.5 Å²	51.5	37%	0.374	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	6.8	-177.4	44.7	0	0	0	0	112.1	D788 S789 Q799 H800	D788-T791 WeakPolarHBondContact CB-OG1 3.27Å; D788-T791 PolarHBondContact O-N 3.37Å; D788-T791 VanDerWaalsContact O-N 3.13Å; D788-T791 PolarHBondContact O-OG1 3.37Å; D788-T791 PolarHBondContact OD2-OG1 3.08Å; S789-T791 VanDerWaalsContact C-N 3.32Å; T791-Q799 PolarHBondContact O-NE2 2.63Å; T791-Q799 PolarHBondContact OG1-NE2 3.06Å; T791-H800 WeakPolarHBondContact O-CB 3.16Å; T791-H800 PolarHBondContact O-N 3.4Å
792	Y	92.2	Very high	90.4	Very high	36 Å²	36	55.2 Å²	55.2	14%	0.141	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	129.6	175.1	-171.4	-101	0	0	0	111	K786 D788 E794 E797 V798 Q799	K786-Y792 HydrophobicContact CB-CD2 3.88Å; K786-Y792 HydrophobicContact CB-CE2 3.73Å; K786-Y792 HydrophobicContact CD-CD1 3.98Å; K786-Y792 HydrophobicContact CD-CD2 4.29Å; K786-Y792 HydrophobicContact CD-CE1 4.01Å; K786-Y792 HydrophobicContact CD-CE2 4.33Å; K786-Y792 HydrophobicContact CD-CG 4.12Å; K786-Y792 HydrophobicContact CG-CD1 4.26Å; K786-Y792 HydrophobicContact CG-CD2 3.73Å; K786-Y792 HydrophobicContact CG-CE1 4.49Å; K786-Y792 HydrophobicContact CG-CE2 4Å; K786-Y792 HydrophobicContact CG-CG 3.88Å; D788-Y792 WeakPolarHBondContact O-CB 3.5Å; D788-Y792 PolarHBondContact O-N 2.77Å; D788-Y792 VanDerWaalsContact O-N 3.11Å; Y792-E794 HydrophobicContact CD1-CG 4.13Å; Y792-E794 HydrophobicContact CE1-CG 4.3Å; Y792-E794 WeakPolarHBondContact CE1-OE2 3.48Å; Y792-E797 VanDerWaalsContact OH-CA 3.27Å; Y792-E797 WeakPolarHBondContact OH-CA 3.3Å; Y792-V798 WeakPolarHBondContact CA-O 3.27Å; Y792-V798 WeakPolarHBondContact CD2-O 3.5Å; Y792-Q799 HydrophobicContact CD2-CB 3.99Å
793	T	91.8	Very high	90.4	Very high	45 Å²	45	55.4 Å²	55.4	28%	0.276	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	103.7	175.1	-60.1	0	0	0	0	109.2	M795 L796 E797 V798 H800	T793-M795 PolarHBondContact O-N 2.7Å; T793-L796 HydrophobicContact CG2-CB 4.1Å; T793-L796 HydrophobicContact CG2-CD1 4.28Å; T793-L796 HydrophobicContact CG2-CG 4.1Å; T793-L796 PolarHBondContact O-N 2.78Å; T793-E797 PolarHBondContact O-N 2.97Å; T793-V798 PolarHBondContact N-O 3.05Å; T793-V798 PolarHBondContact O-N 3.1Å; T793-H800 PolarHBondContact OG1-CD2 3.02Å; T793-H800 PolarHBondContact OG1-NE2 3.49Å
794	E	89.6	Confident	90.4	Very high	115 Å²	115	57.3 Å²	57.3	54%	0.537	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-57.8	-45.2	-177	-64.2	-71.9	169.2	0	0	112.4	K786 Y792 L796 E797	K786-E794 IonicContact NZ-OE1 2.7Å; K786-E794 PolarHBondContact NZ-OE1 2.84Å; K786-E794 IonicContact NZ-OE2 3.37Å; Y792-E794 HydrophobicContact CD1-CG 4.13Å; Y792-E794 HydrophobicContact CE1-CG 4.3Å; Y792-E794 WeakPolarHBondContact CE1-OE2 3.48Å; E794-L796 PolarHBondContact O-N 2.89Å; E794-E797 PolarHBondContact O-N 3.31Å; E794-E797 VanDerWaalsContact O-N 3.1Å
795	M	89.1	Confident	90.6	Very high	95 Å²	95	54.7 Å²	54.7	47%	0.468	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-58.1	-35.1	-179.1	-175.8	-159.9	-78.3	0	0	113	W745 L749 T793	W745-M795 PolarHBondContact NE1-O 3.18Å; L749-M795 WeakPolarHBondContact CD1-O 3.32Å; T793-M795 PolarHBondContact O-N 2.7Å
796	L	90.9	Very high	90.9	Very high	6 Å²	6	55.6 Å²	55.6	3%	0.031	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-100.9	0.3	-177.2	-63	-178.7	0	0	0	112.2	R719 V720 F723 Y724 T793 E794 V798	R719-L796 HydrophobicContact CG-CD2 4.49Å; R719-L796 PolarHBondContact NE-O 3.23Å; R719-L796 PolarHBondContact NH2-O 2.94Å; V720-L796 HydrophobicContact CG2-CD1 4.21Å; F723-L796 HydrophobicContact CB-CD2 4.22Å; F723-L796 HydrophobicContact CD1-CD2 3.67Å; F723-L796 HydrophobicContact CD2-CD2 3.8Å; F723-L796 HydrophobicContact CE1-CD2 3.89Å; F723-L796 HydrophobicContact CE2-CD2 3.99Å; F723-L796 HydrophobicContact CG-CD2 3.62Å; F723-L796 HydrophobicContact CZ-CD2 4.05Å; Y724-L796 HydrophobicContact CE1-CD1 4.39Å; T793-L796 HydrophobicContact CG2-CB 4.1Å; T793-L796 HydrophobicContact CG2-CD1 4.28Å; T793-L796 HydrophobicContact CG2-CG 4.1Å; T793-L796 PolarHBondContact O-N 2.78Å; E794-L796 PolarHBondContact O-N 2.89Å; L796-V798 VanDerWaalsContact C-N 3.31Å; L796-V798 HydrophobicContact CB-CB 4.38Å; L796-V798 HydrophobicContact CB-CG1 3.65Å; L796-V798 PolarHBondContact O-N 2.84Å
797	E	92.5	Very high	91	Very high	87 Å²	87	52 Å²	52	41%	0.407	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	41.3	57.9	-171.2	-67.5	-176.5	178.5	0	0	112.1	R719 W745 Y792 T793 E794	R719-E797 PolarHBondContact NH2-O 3.01Å; W745-E797 HydrophobicContact CH2-CB 4.23Å; W745-E797 HydrophobicContact CH2-CG 4.22Å; W745-E797 WeakPolarHBondContact CH2-OE2 3.24Å; W745-E797 HydrophobicContact CZ2-CB 3.95Å; W745-E797 HydrophobicContact CZ2-CG 3.85Å; Y792-E797 VanDerWaalsContact OH-CA 3.27Å; Y792-E797 WeakPolarHBondContact OH-CA 3.3Å; T793-E797 PolarHBondContact O-N 2.97Å; E794-E797 PolarHBondContact O-N 3.31Å; E794-E797 VanDerWaalsContact O-N 3.1Å
798	V	93.4	Very high	91	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	133.8	-172.6	72.4	0	0	0	0	111.9	P716 V720 V782 Y792 T793 L796	P716-V798 HydrophobicContact CB-CG2 4.05Å; V720-V798 HydrophobicContact CG2-CG1 4.09Å; V720-V798 HydrophobicContact CG2-CG2 4.25Å; V782-V798 HydrophobicContact CB-CG2 3.44Å; V782-V798 VanDerWaalsContact CB-CG2 3.44Å; V782-V798 HydrophobicContact CG1-CG2 3.69Å; V782-V798 HydrophobicContact CG2-CG2 4.29Å; Y792-V798 WeakPolarHBondContact CA-O 3.27Å; Y792-V798 WeakPolarHBondContact CD2-O 3.5Å; T793-V798 PolarHBondContact N-O 3.05Å; T793-V798 PolarHBondContact O-N 3.1Å; L796-V798 VanDerWaalsContact C-N 3.31Å; L796-V798 HydrophobicContact CB-CB 4.38Å; L796-V798 HydrophobicContact CB-CG1 3.65Å; L796-V798 PolarHBondContact O-N 2.84Å
799	Q	93.9	Very high	90.7	Very high	5 Å²	5	53.2 Å²	53.2	2%	0.023	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	118.4	171.6	176.6	66.6	68.5	0	0	108.9	V782 T783 A785 D788 T791 Y792 M801	V782-Q799 WeakPolarHBondContact CA-O 3.44Å; T783-Q799 HydrophobicContact CG2-CB 3.65Å; T783-Q799 HydrophobicContact CG2-CG 3.89Å; T783-Q799 PolarHBondContact N-O 2.95Å; T783-Q799 PolarHBondContact O-N 3.33Å; A785-Q799 WeakPolarHBondContact O-CB 3.47Å; A785-Q799 WeakPolarHBondContact O-CG 3.34Å; D788-Q799 PolarHBondContact O-OE1 2.91Å; T791-Q799 PolarHBondContact O-NE2 2.63Å; T791-Q799 PolarHBondContact OG1-NE2 3.06Å; Y792-Q799 HydrophobicContact CD2-CB 3.99Å; Q799-M801 HydrophobicContact CG-CG 4.02Å
800	H	92.8	Very high	90.6	Very high	40 Å²	40	53.3 Å²	53.3	19%	0.185	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	138.1	171.8	-67.7	-77.1	0	0	0	110.6	T791 T793	T791-H800 WeakPolarHBondContact O-CB 3.16Å; T791-H800 PolarHBondContact O-N 3.4Å; T793-H800 PolarHBondContact OG1-CD2 3.02Å; T793-H800 PolarHBondContact OG1-NE2 3.49Å
801	M	91.7	Very high	90.7	Very high	30 Å²	30	47.8 Å²	47.8	15%	0.148	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	165.7	-177.1	-61.1	-172.4	76.8	0	0	111.1	P394 K395 Y398 A706 L781 T783 Q799	P394-M801 HydrophobicContact CB-CE 3.94Å; P394-M801 HydrophobicContact CB-SD 3.84Å; P394-M801 HydrophobicContact CG-CE 4.08Å; P394-M801 HydrophobicContact CG-SD 3.68Å; K395-M801 HydrophobicContact CB-CE 3.93Å; K395-M801 VanDerWaalsContact N-CE 3.31Å; Y398-M801 HydrophobicContact CD2-CE 4.42Å; A706-M801 HydrophobicContact CB-SD 4.04Å; L781-M801 HydrophobicContact CB-CB 3.94Å; L781-M801 WeakPolarHBondContact CB-O 3.24Å; L781-M801 PolarHBondContact N-O 2.89Å; L781-M801 VanDerWaalsContact N-O 3.12Å; L781-M801 PolarHBondContact O-N 2.78Å; T783-M801 HydrophobicContact CG2-CG 4.26Å; T783-M801 HydrophobicContact CG2-SD 3.51Å; T783-M801 VanDerWaalsContact CG2-SD 3.51Å; Q799-M801 HydrophobicContact CG-CG 4.02Å
802	I	90.1	Very high	90.8	Very high	80 Å²	80	45.4 Å²	45.4	41%	0.41	23%	0.228	S	C	.	.			trans	-135	139	172.6	-59.3	174.8	0	0	0	107.7	T804 W806 M808 P812	I802-T804 PolarHBondContact O-N 3.11Å; I802-W806 HydrophobicContact CG2-CE3 4.23Å; I802-M808 HydrophobicContact CD1-CE 3.99Å; I802-M808 HydrophobicContact CG2-SD 3.92Å; I802-P812 HydrophobicContact CG2-CB 4.31Å; I802-P812 HydrophobicContact CG2-CG 4.35Å
803	D	93.2	Very high	90.9	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.016	22%	0.224	C	C	.	.			trans	-70	113.4	169.3	-175.7	-25.2	0	0	0	107.7	Y398 K401 L781 T805 W806	Y398-D803 HydrophobicContact CD1-CB 3.75Å; Y398-D803 WeakPolarHBondContact CD1-OD1 3.3Å; Y398-D803 HydrophobicContact CE1-CB 3.67Å; Y398-D803 VanDerWaalsContact CE1-OD2 3.28Å; Y398-D803 WeakPolarHBondContact CE1-OD2 3.18Å; K401-D803 IonicContact NZ-OD2 3.7Å; K401-D803 PolarHBondContact NZ-OD2 3.47Å; L781-D803 HydrophobicContact CD1-CB 3.86Å; D803-T805 PolarHBondContact O-N 3.34Å; D803-T805 VanDerWaalsContact OD1-CB 3.29Å; D803-T805 WeakPolarHBondContact OD1-CB 3.18Å; D803-T805 WeakPolarHBondContact OD1-CG2 3.23Å; D803-T805 PolarHBondContact OD1-N 3.08Å; D803-T805 PolarHBondContact OD1-OG1 3.15Å; D803-T805 PolarHBondContact OD2-OG1 2.84Å; D803-W806 HydrophobicContact CB-CD2 3.52Å; D803-W806 VanDerWaalsContact CB-CE2 3.43Å; D803-W806 HydrophobicContact CB-CE3 3.92Å; D803-W806 HydrophobicContact CB-CG 3.88Å; D803-W806 HydrophobicContact CB-CH2 4.25Å; D803-W806 HydrophobicContact CB-CZ2 3.8Å; D803-W806 HydrophobicContact CB-CZ3 4.29Å; D803-W806 PolarHBondContact O-N 2.94Å; D803-W806 PolarHBondContact OD2-NE1 3.3Å
804	T	91.4	Very high	91.1	Very high	42 Å²	42	42 Å²	42	26%	0.258	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-4.3	-176.5	66.8	0	0	0	0	113.9	Y398 R402 I802	Y398-T804 PolarHBondContact O-OG1 3.49Å; Y398-T804 VanDerWaalsContact O-OG1 3.09Å; R402-T804 WeakPolarHBondContact CB-OG1 3.45Å; R402-T804 WeakPolarHBondContact CD-OG1 3.46Å; I802-T804 PolarHBondContact O-N 3.11Å
805	T	92.8	Very high	91.4	Very high	10 Å²	10	37.3 Å²	37.3	6%	0.061	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-9.8	174	71.6	0	0	0	0	114.8	F41 K401 R402 A405 D803	F41-T805 HydrophobicContact CD2-CG2 4.26Å; F41-T805 HydrophobicContact CE2-CG2 4.14Å; K401-T805 HydrophobicContact CB-CG2 4.48Å; K401-T805 HydrophobicContact CD-CG2 4.18Å; K401-T805 HydrophobicContact CG-CG2 3.95Å; R402-T805 HydrophobicContact CB-CG2 3.86Å; A405-T805 HydrophobicContact CB-CG2 4.46Å; D803-T805 PolarHBondContact O-N 3.34Å; D803-T805 VanDerWaalsContact OD1-CB 3.29Å; D803-T805 WeakPolarHBondContact OD1-CB 3.18Å; D803-T805 WeakPolarHBondContact OD1-CG2 3.23Å; D803-T805 PolarHBondContact OD1-N 3.08Å; D803-T805 PolarHBondContact OD1-OG1 3.15Å; D803-T805 PolarHBondContact OD2-OG1 2.84Å
806	W	92.9	Very high	91.7	Very high	38 Å²	38	35.7 Å²	35.7	14%	0.144	18%	0.179	C	C	.	.	S	Bend	trans	-75.3	148.2	177.3	-65.4	-14.3	0	0	0	112.1	T779 L781 I802 D803 P812 V814 W816	T779-W806 HydrophobicContact CG2-CH2 4.14Å; L781-W806 HydrophobicContact CD1-CH2 3.93Å; L781-W806 HydrophobicContact CD1-CZ2 4.41Å; L781-W806 HydrophobicContact CD1-CZ3 4.31Å; L781-W806 HydrophobicContact CD2-CH2 3.92Å; L781-W806 HydrophobicContact CG-CH2 3.62Å; L781-W806 HydrophobicContact CG-CZ2 4.45Å; L781-W806 HydrophobicContact CG-CZ3 4.05Å; I802-W806 HydrophobicContact CG2-CE3 4.23Å; D803-W806 HydrophobicContact CB-CD2 3.52Å; D803-W806 VanDerWaalsContact CB-CE2 3.43Å; D803-W806 HydrophobicContact CB-CE3 3.92Å; D803-W806 HydrophobicContact CB-CG 3.88Å; D803-W806 HydrophobicContact CB-CH2 4.25Å; D803-W806 HydrophobicContact CB-CZ2 3.8Å; D803-W806 HydrophobicContact CB-CZ3 4.29Å; D803-W806 PolarHBondContact O-N 2.94Å; D803-W806 PolarHBondContact OD2-NE1 3.3Å; W806-P812 HydrophobicContact CB-CB 4.13Å; W806-P812 HydrophobicContact CD2-CB 4.42Å; W806-P812 HydrophobicContact CE3-CB 3.63Å; W806-P812 HydrophobicContact CE3-CG 4.07Å; W806-P812 HydrophobicContact CZ3-CB 4.44Å; W806-P812 HydrophobicContact CZ3-CG 4.43Å; W806-V814 HydrophobicContact CD2-CG2 3.45Å; W806-V814 VanDerWaalsContact CD2-CG2 3.45Å; W806-V814 HydrophobicContact CE3-CG2 3.37Å; W806-V814 HydrophobicContact CG-CG2 4.05Å; W806-V814 HydrophobicContact CH2-CG1 4.35Å; W806-V814 HydrophobicContact CH2-CG2 4.09Å; W806-V814 HydrophobicContact CZ2-CG1 4.15Å; W806-V814 HydrophobicContact CZ2-CG2 4.23Å; W806-V814 HydrophobicContact CZ3-CG2 3.68Å; W806-W816 HydrophobicContact CH2-CH2 4.48Å; W806-W816 HydrophobicContact CH2-CZ2 4.37Å; W806-W816 HydrophobicContact CZ2-CH2 4.17Å; W806-W816 AromaticContact CZ2-CZ2 3.68Å; W806-W816 HydrophobicContact CZ2-CZ2 3.68Å
807	I	91.4	Very high	91.9	Very high	10 Å²	10	35.4 Å²	35.4	5%	0.051	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	131.6	174	-54.6	168.7	0	0	0	107.9	Y35 P36 K39 A40 P812 V813 L852 Y855	Y35-I807 HydrophobicContact CE2-CG2 4.43Å; P36-I807 HydrophobicContact CB-CD1 3.9Å; P36-I807 HydrophobicContact CB-CG2 4.27Å; K39-I807 HydrophobicContact CB-CG1 4.37Å; A40-I807 HydrophobicContact CB-CD1 3.85Å; I807-P812 CarbonylContact O-C 3.46Å; I807-P812 WeakPolarHBondContact O-CA 3.49Å; I807-V813 HydrophobicContact CB-CB 4.26Å; I807-V813 PolarHBondContact O-N 3.4Å; I807-L852 HydrophobicContact CG2-CD1 3.7Å; I807-Y855 HydrophobicContact CD1-CD1 4.38Å; I807-Y855 HydrophobicContact CD1-CE1 3.82Å
808	M	88.2	Confident	92.2	Very high	83 Å²	83	31.2 Å²	31.2	41%	0.409	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	134	-176	-68	-62.1	-62.4	0	0	111.9	I802 P810 P812	I802-M808 HydrophobicContact CD1-CE 3.99Å; I802-M808 HydrophobicContact CG2-SD 3.92Å; M808-P810 WeakPolarHBondContact CE-O 3.18Å; M808-P812 HydrophobicContact SD-CB 3.65Å; M808-P812 HydrophobicContact SD-CG 4.33Å
809	S	80.8	Confident	92.4	Very high	25 Å²	25	32.9 Å²	32.9	18%	0.175	16%	0.164	C	C	.	.	S	Bend	trans	-166.5	113.1	164.5	-166.4	0	0	0	0	114.1	R811 Q842	S809-R811 CarbonylContact C-O 3.57Å; S809-R811 PolarHBondContact N-O 3.13Å; S809-R811 PolarHBondContact O-N 3.45Å; S809-Q842 WeakPolarHBondContact CB-O 3.45Å; S809-Q842 PolarHBondContact OG-O 3.05Å
810	P	85.9	Confident	92.6	Very high	88 Å²	88	37.1 Å²	37.1	57%	0.571	18%	0.182	S	C	*	.	S	Bend		-46.7	-10.6	-71.6	32.6	-37.3	0	0	0	114.5	M808 Q842	M808-P810 WeakPolarHBondContact CE-O 3.18Å; P810-Q842 VanDerWaalsContact CD-OE1 3.29Å
811	R	89.6	Confident	92.8	Very high	105 Å²	105	35.2 Å²	35.2	40%	0.396	17%	0.174	S	C	.	.	S	Bend	trans	-100.5	158.8	171.4	-61.3	-173.3	-172.4	-177.4	9.6	110.9	D701 S809	D701-R811 IonicContact OD2-NH1 3.62Å; D701-R811 PolarHBondContact OD2-NH1 3.11Å; S809-R811 CarbonylContact C-O 3.57Å; S809-R811 PolarHBondContact N-O 3.13Å; S809-R811 PolarHBondContact O-N 3.45Å
812	P	93.4	Very high	93.1	Very high	11 Å²	11	33.8 Å²	33.8	7%	0.071	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	144.6	178.1	23.8	-29.8	0	0	0	112.9	S778 T779 I802 W806 I807 M808 V814	S778-P812 WeakPolarHBondContact OG-CD 3.47Å; S778-P812 VanDerWaalsContact OG-CG 3.27Å; S778-P812 WeakPolarHBondContact OG-CG 3.42Å; S778-P812 PolarHBondContact OG-O 3.32Å; T779-P812 WeakPolarHBondContact O-CG 3.08Å; I802-P812 HydrophobicContact CG2-CB 4.31Å; I802-P812 HydrophobicContact CG2-CG 4.35Å; W806-P812 HydrophobicContact CB-CB 4.13Å; W806-P812 HydrophobicContact CD2-CB 4.42Å; W806-P812 HydrophobicContact CE3-CB 3.63Å; W806-P812 HydrophobicContact CE3-CG 4.07Å; W806-P812 HydrophobicContact CZ3-CB 4.44Å; W806-P812 HydrophobicContact CZ3-CG 4.43Å; I807-P812 CarbonylContact O-C 3.46Å; I807-P812 WeakPolarHBondContact O-CA 3.49Å; M808-P812 HydrophobicContact SD-CB 3.65Å; M808-P812 HydrophobicContact SD-CG 4.33Å; P812-V814 HydrophobicContact CB-CG2 3.98Å
813	V	94.3	Very high	93.4	Very high	9 Å²	9	31.3 Å²	31.3	6%	0.055	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	107	176.1	174.4	0	0	0	0	108.9	I807 V841 L852 Y855 Y856 Y860	I807-V813 HydrophobicContact CB-CB 4.26Å; I807-V813 PolarHBondContact O-N 3.4Å; V813-V841 HydrophobicContact CG2-CG2 4.15Å; V813-L852 HydrophobicContact CG2-CD1 4.22Å; V813-Y855 HydrophobicContact CG1-CD1 4.33Å; V813-Y855 HydrophobicContact CG1-CE1 4.09Å; V813-Y856 HydrophobicContact CB-CD2 4.34Å; V813-Y856 HydrophobicContact CG1-CD2 3.74Å; V813-Y856 HydrophobicContact CG1-CE2 4.42Å; V813-Y856 HydrophobicContact CG2-CD2 3.93Å; V813-Y856 HydrophobicContact CG2-CE2 4.42Å; V813-Y860 HydrophobicContact CG1-CE2 4.12Å
814	V	94.9	Very high	93.6	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	16%	0.157	C	C	.	.			trans	-136	79.8	-171.5	-168.6	0	0	0	0	109.9	T779 W806 P812 W816 G817 Y860	T779-V814 HydrophobicContact CG2-CG1 4.36Å; W806-V814 HydrophobicContact CD2-CG2 3.45Å; W806-V814 VanDerWaalsContact CD2-CG2 3.45Å; W806-V814 HydrophobicContact CE3-CG2 3.37Å; W806-V814 HydrophobicContact CG-CG2 4.05Å; W806-V814 HydrophobicContact CH2-CG1 4.35Å; W806-V814 HydrophobicContact CH2-CG2 4.09Å; W806-V814 HydrophobicContact CZ2-CG1 4.15Å; W806-V814 HydrophobicContact CZ2-CG2 4.23Å; W806-V814 HydrophobicContact CZ3-CG2 3.68Å; P812-V814 HydrophobicContact CB-CG2 3.98Å; V814-W816 HydrophobicContact CG1-CD2 3.76Å; V814-W816 HydrophobicContact CG1-CE3 4.26Å; V814-W816 HydrophobicContact CG1-CG 4.34Å; V814-W816 HydrophobicContact CG1-CH2 3.84Å; V814-W816 HydrophobicContact CG1-CZ2 3.3Å; V814-W816 HydrophobicContact CG1-CZ3 4.29Å; V814-W816 PolarHBondContact O-N 2.95Å; V814-G817 PolarHBondContact O-N 2.97Å; V814-Y860 VanDerWaalsContact C-OH 3.25Å; V814-Y860 PolarHBondContact N-OH 3.08Å; V814-Y860 PolarHBondContact O-OH 3.39Å; V814-Y860 VanDerWaalsContact O-OH 3.12Å
815	P	95.4	Very high	93.8	Very high	16 Å²	16	30.1 Å²	30.1	10%	0.104	14%	0.144	C	C	.	.	H	α-helix	trans	-56.5	-43.3	-171	-28	36	0	0	0	114.6	G817 L818 N859 Y860 E863	P815-G817 PolarHBondContact O-N 2.7Å; P815-G817 VanDerWaalsContact O-N 3.12Å; P815-L818 PolarHBondContact O-N 3.33Å; P815-L818 VanDerWaalsContact O-N 3.13Å; P815-N859 HydrophobicContact CB-CB 3.74Å; P815-N859 HydrophobicContact CG-CB 3.5Å; P815-Y860 VanDerWaalsContact CA-CE2 3.49Å; P815-Y860 HydrophobicContact CB-CD2 3.89Å; P815-Y860 HydrophobicContact CB-CE2 4.05Å; P815-Y860 HydrophobicContact CB-CG 4.37Å; P815-Y860 HydrophobicContact CG-CD2 3.89Å; P815-Y860 HydrophobicContact CG-CE2 3.81Å; P815-E863 HydrophobicContact CB-CG 3.81Å; P815-E863 WeakPolarHBondContact O-CB 3.37Å
816	W	95.6	Very high	93.9	Very high	60 Å²	60	32.9 Å²	32.9	23%	0.227	16%	0.156	C	C	.	.	H	α-helix	trans	-65	-17.4	-178.5	55.8	-104	0	0	0	112.9	E704 T779 W806 V814 L818 R819 K820	E704-W816 HydrophobicContact CB-CH2 4.26Å; E704-W816 HydrophobicContact CG-CH2 4.01Å; E704-W816 HydrophobicContact CG-CZ3 4.3Å; T779-W816 HydrophobicContact CG2-CH2 4.27Å; T779-W816 HydrophobicContact CG2-CZ3 4.48Å; W806-W816 HydrophobicContact CH2-CH2 4.48Å; W806-W816 HydrophobicContact CH2-CZ2 4.37Å; W806-W816 HydrophobicContact CZ2-CH2 4.17Å; W806-W816 AromaticContact CZ2-CZ2 3.68Å; W806-W816 HydrophobicContact CZ2-CZ2 3.68Å; V814-W816 HydrophobicContact CG1-CD2 3.76Å; V814-W816 HydrophobicContact CG1-CE3 4.26Å; V814-W816 HydrophobicContact CG1-CG 4.34Å; V814-W816 HydrophobicContact CG1-CH2 3.84Å; V814-W816 HydrophobicContact CG1-CZ2 3.3Å; V814-W816 HydrophobicContact CG1-CZ3 4.29Å; V814-W816 PolarHBondContact O-N 2.95Å; W816-L818 VanDerWaalsContact C-N 3.28Å; W816-L818 PolarHBondContact O-N 3.3Å; W816-R819 PolarHBondContact O-N 2.82Å; W816-K820 HydrophobicContact CE3-CG 3.95Å; W816-K820 HydrophobicContact CZ3-CG 4.3Å; W816-K820 WeakPolarHBondContact O-CG 3.33Å; W816-K820 PolarHBondContact O-N 2.87Å
817	G	96.5	Very high	94	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.2	-35.4	173.8	0	0	0	0	0	112.8	T779 V814 P815 K820 A821	T779-G817 WeakPolarHBondContact OG1-CA 3.44Å; V814-G817 PolarHBondContact O-N 2.97Å; P815-G817 PolarHBondContact O-N 2.7Å; P815-G817 VanDerWaalsContact O-N 3.12Å; G817-K820 PolarHBondContact O-N 2.96Å; G817-A821 WeakPolarHBondContact O-CB 3.29Å; G817-A821 PolarHBondContact O-N 3.2Å
818	L	98.3	Very high	94.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.2	-45.7	175	176.8	57.6	0	0	0	110.9	M774 H776 P815 W816 K820 A821 L822 V836 Y860 A864 Y878	M774-L818 HydrophobicContact CE-CD1 4.38Å; H776-L818 HydrophobicContact CB-CD1 3.87Å; H776-L818 PolarHBondContact NE2-N 3.03Å; P815-L818 PolarHBondContact O-N 3.33Å; P815-L818 VanDerWaalsContact O-N 3.13Å; W816-L818 VanDerWaalsContact C-N 3.28Å; W816-L818 PolarHBondContact O-N 3.3Å; L818-K820 VanDerWaalsContact C-N 3.31Å; L818-K820 PolarHBondContact O-N 3.17Å; L818-A821 PolarHBondContact O-N 3.04Å; L818-L822 HydrophobicContact CD1-CD1 4.21Å; L818-L822 HydrophobicContact CD1-CG 4.14Å; L818-L822 HydrophobicContact CG-CD1 4.06Å; L818-L822 HydrophobicContact CG-CG 4.44Å; L818-L822 WeakPolarHBondContact O-CB 3.5Å; L818-L822 VanDerWaalsContact O-CG 3.28Å; L818-L822 WeakPolarHBondContact O-CG 3.34Å; L818-L822 PolarHBondContact O-N 2.84Å; L818-V836 HydrophobicContact CD1-CG2 4.03Å; L818-Y860 HydrophobicContact CB-CD1 3.81Å; L818-Y860 HydrophobicContact CB-CE1 4.14Å; L818-Y860 HydrophobicContact CD2-CD1 3.98Å; L818-A864 HydrophobicContact CD2-CB 4.1Å; L818-Y878 HydrophobicContact CD2-CE2 4.2Å
819	R	97.8	Very high	94.3	Very high	35 Å²	35	37.5 Å²	37.5	13%	0.132	18%	0.177	C	C	.	.	H	α-helix	trans	-60.5	-40.9	176.6	179.1	176	-179.6	-160.5	-2.1	111.6	W816 N823 E863 A867 D871	W816-R819 PolarHBondContact O-N 2.82Å; R819-N823 WeakPolarHBondContact O-CB 3.29Å; R819-N823 PolarHBondContact O-N 3.03Å; R819-N823 PolarHBondContact O-ND2 3.3Å; R819-E863 HydrophobicContact CB-CB 4.15Å; R819-E863 WeakPolarHBondContact CD-OE2 3.5Å; R819-A867 HydrophobicContact CG-CB 4.09Å; R819-D871 WeakPolarHBondContact CG-OD2 3.2Å; R819-D871 IonicContact CZ-OD1 3.02Å; R819-D871 IonicContact CZ-OD2 3.64Å; R819-D871 IonicContact NE-OD1 3.84Å; R819-D871 IonicContact NE-OD2 3.2Å; R819-D871 PolarHBondContact NE-OD2 3.23Å; R819-D871 IonicContact NH2-OD1 3.82Å; R819-D871 PolarHBondContact NH2-OD1 3.47Å; R819-D871 IonicContact NH2-OD2 2.55Å; R819-D871 PolarHBondContact NH2-OD2 2.78Å
820	K	96.9	Very high	94.1	Very high	94 Å²	94	41.6 Å²	41.6	41%	0.409	21%	0.206	S	C	.	.	H	α-helix	trans	-63.2	-46.3	174.9	-70.1	-78.4	-173.5	168.5	0	111.9	W702 W816 G817 L818 L822 N823 W824	W702-K820 HydrophobicContact CD2-CB 3.76Å; W702-K820 VanDerWaalsContact CE2-CB 3.5Å; W702-K820 HydrophobicContact CE3-CB 4.34Å; W702-K820 HydrophobicContact CG-CB 4.09Å; W702-K820 HydrophobicContact CH2-CB 4.44Å; W702-K820 HydrophobicContact CZ2-CB 3.88Å; W816-K820 HydrophobicContact CE3-CG 3.95Å; W816-K820 HydrophobicContact CZ3-CG 4.3Å; W816-K820 WeakPolarHBondContact O-CG 3.33Å; W816-K820 PolarHBondContact O-N 2.87Å; G817-K820 PolarHBondContact O-N 2.96Å; L818-K820 VanDerWaalsContact C-N 3.31Å; L818-K820 PolarHBondContact O-N 3.17Å; K820-L822 PolarHBondContact O-N 2.89Å; K820-N823 PolarHBondContact O-N 3.41Å; K820-W824 PolarHBondContact O-N 3.36Å
821	A	97.8	Very high	94.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.4	-44.7	176.8	0	0	0	0	0	112.3	M700 W702 M774 G817 L818 N823 W824 V825	M700-A821 HydrophobicContact CE-CB 3.85Å; M700-A821 HydrophobicContact CG-CB 4.34Å; M700-A821 HydrophobicContact SD-CB 4.36Å; W702-A821 HydrophobicContact CB-CB 4.44Å; W702-A821 HydrophobicContact CE3-CB 4.11Å; M774-A821 HydrophobicContact CE-CB 3.78Å; G817-A821 WeakPolarHBondContact O-CB 3.29Å; G817-A821 PolarHBondContact O-N 3.2Å; L818-A821 PolarHBondContact O-N 3.04Å; A821-N823 PolarHBondContact O-N 3.14Å; A821-W824 WeakPolarHBondContact O-CB 3.05Å; A821-W824 PolarHBondContact O-N 3.27Å; A821-V825 WeakPolarHBondContact O-CG2 3.33Å; A821-V825 PolarHBondContact O-N 3.39Å
822	L	98	Very high	94.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60	-43.8	175.8	-73.4	172.8	0	0	0	112.3	M774 L818 K820 V825 K826 I834 V836 A864 A867 V873 L875	M774-L822 HydrophobicContact SD-CD2 3.68Å; M774-L822 HydrophobicContact SD-CG 4.39Å; L818-L822 HydrophobicContact CD1-CD1 4.21Å; L818-L822 HydrophobicContact CD1-CG 4.14Å; L818-L822 HydrophobicContact CG-CD1 4.06Å; L818-L822 HydrophobicContact CG-CG 4.44Å; L818-L822 WeakPolarHBondContact O-CB 3.5Å; L818-L822 VanDerWaalsContact O-CG 3.28Å; L818-L822 WeakPolarHBondContact O-CG 3.34Å; L818-L822 PolarHBondContact O-N 2.84Å; K820-L822 PolarHBondContact O-N 2.89Å; L822-V825 PolarHBondContact O-N 3.21Å; L822-K826 PolarHBondContact O-N 3.41Å; L822-K826 VanDerWaalsContact O-N 3.09Å; L822-I834 HydrophobicContact CD2-CB 4.41Å; L822-I834 HydrophobicContact CD2-CD1 4.29Å; L822-I834 HydrophobicContact CD2-CG2 3.66Å; L822-V836 HydrophobicContact CD2-CG2 4.23Å; L822-A864 HydrophobicContact CD1-CB 4.36Å; L822-A867 HydrophobicContact CB-CB 4.17Å; L822-A867 HydrophobicContact CD1-CB 3.67Å; L822-V873 HydrophobicContact CB-CG1 4.26Å; L822-V873 HydrophobicContact CB-CG2 4.37Å; L822-L875 HydrophobicContact CD1-CD1 4.44Å; L822-L875 HydrophobicContact CD2-CD1 3.94Å
823	N	96.9	Very high	94.7	Very high	28 Å²	28	38.4 Å²	38.4	15%	0.15	19%	0.194	C	C	.	.	H	α-helix	trans	-65	-38.8	175.4	-83	-64.1	0	0	0	112.5	R819 K820 A821 V825 K826 Q827 D871	R819-N823 WeakPolarHBondContact O-CB 3.29Å; R819-N823 PolarHBondContact O-N 3.03Å; R819-N823 PolarHBondContact O-ND2 3.3Å; K820-N823 PolarHBondContact O-N 3.41Å; A821-N823 PolarHBondContact O-N 3.14Å; N823-V825 PolarHBondContact O-N 3.2Å; N823-K826 PolarHBondContact O-N 3.21Å; N823-Q827 WeakPolarHBondContact O-CB 3.45Å; N823-Q827 VanDerWaalsContact O-CG 3.22Å; N823-Q827 WeakPolarHBondContact O-CG 3.38Å; N823-Q827 PolarHBondContact O-N 3.45Å; N823-D871 PolarHBondContact ND2-OD2 3.41Å; N823-D871 VanDerWaalsContact OD1-CB 3.24Å; N823-D871 WeakPolarHBondContact OD1-CB 3.44Å
824	W	96.3	Very high	94.9	Very high	19 Å²	19	38 Å²	38	7%	0.072	19%	0.192	C	C	.	.	H	α-helix	trans	-59.7	-46.8	175.7	-175.8	96.4	0	0	0	110.8	M700 W702 V725 K820 A821 K826 Q827 H828 Y829	M700-W824 HydrophobicContact CE-CB 4.27Å; M700-W824 HydrophobicContact CE-CD2 3.94Å; M700-W824 HydrophobicContact CE-CE3 3.38Å; M700-W824 HydrophobicContact CE-CG 4.33Å; M700-W824 HydrophobicContact CE-CZ3 4Å; M700-W824 HydrophobicContact SD-CE3 4.45Å; W702-W824 HydrophobicContact CH2-CB 4.17Å; W702-W824 HydrophobicContact CH2-CG 4.35Å; W702-W824 HydrophobicContact CZ3-CB 3.66Å; W702-W824 AromaticContact CZ3-CD1 3.87Å; W702-W824 AromaticContact CZ3-CG 3.85Å; W702-W824 HydrophobicContact CZ3-CG 3.85Å; V725-W824 HydrophobicContact CG1-CH2 4.31Å; V725-W824 HydrophobicContact CG1-CZ3 3.98Å; K820-W824 PolarHBondContact O-N 3.36Å; A821-W824 WeakPolarHBondContact O-CB 3.05Å; A821-W824 PolarHBondContact O-N 3.27Å; W824-K826 PolarHBondContact O-N 3.34Å; W824-Q827 PolarHBondContact O-N 2.78Å; W824-H828 AromaticContact CD1-CE1 3.36Å; W824-H828 AromaticContact CD1-ND1 3.76Å; W824-H828 AromaticContact CD2-CE1 3.91Å; W824-H828 AromaticContact CD2-ND1 3.63Å; W824-H828 AromaticContact CE2-CE1 3.47Å; W824-H828 VanDerWaalsContact CE2-CE1 3.47Å; W824-H828 AromaticContact CE2-CG 3.93Å; W824-H828 AromaticContact CE2-ND1 3.57Å; W824-H828 AromaticContact CE2-NE2 3.76Å; W824-H828 AromaticContact CG-CE1 3.84Å; W824-H828 AromaticContact CG-ND1 3.77Å; W824-H828 AromaticContact CZ2-CD2 3.9Å; W824-H828 AromaticContact CZ2-NE2 3.98Å; W824-H828 AromaticContact NE1-CE1 3.11Å; W824-H828 PolarHBondContact NE1-CE1 2.75Å; W824-H828 AromaticContact NE1-ND1 3.64Å; W824-H828 AromaticContact NE1-NE2 3.52Å; W824-H828 PolarHBondContact O-N 2.91Å; W824-H828 PolarHBondContact O-ND1 2.75Å; W824-Y829 HydrophobicContact CH2-CE2 4.05Å; W824-Y829 AromaticContact CZ3-CE2 3.71Å; W824-Y829 HydrophobicContact CZ3-CE2 3.71Å
825	V	96.6	Very high	95	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59.4	-47.2	176.3	174.8	0	0	0	0	111.2	M700 F772 A821 L822 N823 Q827 H828 Y829 V832 I834	M700-V825 HydrophobicContact CE-CG2 4.04Å; M700-V825 HydrophobicContact SD-CG2 3.76Å; F772-V825 HydrophobicContact CB-CG1 4.14Å; F772-V825 HydrophobicContact CD1-CG1 3.74Å; F772-V825 HydrophobicContact CD1-CG2 4Å; F772-V825 HydrophobicContact CD2-CG1 3.78Å; F772-V825 HydrophobicContact CE1-CB 4.47Å; F772-V825 HydrophobicContact CE1-CG1 4.04Å; F772-V825 HydrophobicContact CE1-CG2 3.53Å; F772-V825 HydrophobicContact CE2-CG1 4.08Å; F772-V825 HydrophobicContact CE2-CG2 4.38Å; F772-V825 HydrophobicContact CG-CG1 3.61Å; F772-V825 HydrophobicContact CZ-CG1 4.2Å; F772-V825 HydrophobicContact CZ-CG2 3.75Å; A821-V825 WeakPolarHBondContact O-CG2 3.33Å; A821-V825 PolarHBondContact O-N 3.39Å; L822-V825 PolarHBondContact O-N 3.21Å; N823-V825 PolarHBondContact O-N 3.2Å; V825-Q827 VanDerWaalsContact C-N 3.3Å; V825-Q827 PolarHBondContact O-N 3.08Å; V825-H828 PolarHBondContact O-N 2.91Å; V825-Y829 HydrophobicContact CG1-CD2 4.29Å; V825-Y829 PolarHBondContact O-N 2.85Å; V825-V832 HydrophobicContact CG1-CG1 4.08Å; V825-I834 HydrophobicContact CB-CD1 3.89Å; V825-I834 HydrophobicContact CG1-CD1 3.58Å; V825-I834 HydrophobicContact CG1-CG1 4.19Å
826	K	95.4	Very high	95.2	Very high	69 Å²	69	37.7 Å²	37.7	30%	0.3	19%	0.188	S	C	.	.	H	α-helix	trans	-56.3	-44	177	173.7	177.9	174.5	169.1	0	112.2	L822 N823 W824 D871 G872 V873	L822-K826 PolarHBondContact O-N 3.41Å; L822-K826 VanDerWaalsContact O-N 3.09Å; N823-K826 PolarHBondContact O-N 3.21Å; W824-K826 PolarHBondContact O-N 3.34Å; K826-D871 PolarHBondContact NZ-O 3.16Å; K826-G872 VanDerWaalsContact NZ-C 3.29Å; K826-G872 PolarHBondContact NZ-O 3.36Å; K826-V873 HydrophobicContact CB-CG2 4.37Å; K826-V873 HydrophobicContact CD-CG2 4.03Å
827	Q	94.6	Very high	95.3	Very high	145 Å²	145	34.9 Å²	34.9	68%	0.678	18%	0.177	S	C	*	.	H	α-helix	trans	-70	-31.8	-177.4	-72	169.8	14.1	0	0	112.9	N823 W824 V825	N823-Q827 WeakPolarHBondContact O-CB 3.45Å; N823-Q827 VanDerWaalsContact O-CG 3.22Å; N823-Q827 WeakPolarHBondContact O-CG 3.38Å; N823-Q827 PolarHBondContact O-N 3.45Å; W824-Q827 PolarHBondContact O-N 2.78Å; V825-Q827 VanDerWaalsContact C-N 3.3Å; V825-Q827 PolarHBondContact O-N 3.08Å
828	H	93.8	Very high	95.3	Very high	78 Å²	78	35 Å²	35	36%	0.361	18%	0.179	S	C	.	.	H	α-helix	trans	-93.3	-30.5	-175.6	-67.9	72.9	0	0	0	113.3	W824 V825	W824-H828 AromaticContact CD1-CE1 3.36Å; W824-H828 AromaticContact CD1-ND1 3.76Å; W824-H828 AromaticContact CD2-CE1 3.91Å; W824-H828 AromaticContact CD2-ND1 3.63Å; W824-H828 AromaticContact CE2-CE1 3.47Å; W824-H828 VanDerWaalsContact CE2-CE1 3.47Å; W824-H828 AromaticContact CE2-CG 3.93Å; W824-H828 AromaticContact CE2-ND1 3.57Å; W824-H828 AromaticContact CE2-NE2 3.76Å; W824-H828 AromaticContact CG-CE1 3.84Å; W824-H828 AromaticContact CG-ND1 3.77Å; W824-H828 AromaticContact CZ2-CD2 3.9Å; W824-H828 AromaticContact CZ2-NE2 3.98Å; W824-H828 AromaticContact NE1-CE1 3.11Å; W824-H828 PolarHBondContact NE1-CE1 2.75Å; W824-H828 AromaticContact NE1-ND1 3.64Å; W824-H828 AromaticContact NE1-NE2 3.52Å; W824-H828 PolarHBondContact O-N 2.91Å; W824-H828 PolarHBondContact O-ND1 2.75Å; V825-H828 PolarHBondContact O-N 2.91Å
829	Y	92.7	Very high	95.3	Very high	4 Å²	4	35 Å²	35	2%	0.016	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.9	31.2	-166.2	-56.9	-52.6	0	0	0	115.8	A729 E730 F733 F772 W824 V825	A729-Y829 HydrophobicContact CB-CE2 3.83Å; A729-Y829 WeakPolarHBondContact CB-OH 3.47Å; E730-Y829 VanDerWaalsContact OE2-CE1 3.28Å; E730-Y829 WeakPolarHBondContact OE2-CE1 3.16Å; E730-Y829 PolarHBondContact OE2-OH 2.82Å; F733-Y829 HydrophobicContact CB-CD1 3.45Å; F733-Y829 VanDerWaalsContact CB-CD1 3.45Å; F733-Y829 HydrophobicContact CB-CD2 4.2Å; F733-Y829 HydrophobicContact CB-CE1 3.92Å; F733-Y829 HydrophobicContact CB-CG 3.63Å; F733-Y829 HydrophobicContact CG-CG 4.46Å; F772-Y829 HydrophobicContact CD2-CD2 4.2Å; F772-Y829 AromaticContact CE2-CD2 3.77Å; F772-Y829 HydrophobicContact CE2-CD2 3.77Å; F772-Y829 AromaticContact CE2-CE2 3.95Å; F772-Y829 HydrophobicContact CE2-CE2 3.95Å; W824-Y829 HydrophobicContact CH2-CE2 4.05Å; W824-Y829 AromaticContact CZ3-CE2 3.71Å; W824-Y829 HydrophobicContact CZ3-CE2 3.71Å; V825-Y829 HydrophobicContact CG1-CD2 4.29Å; V825-Y829 PolarHBondContact O-N 2.85Å
830	S	76.1	Confident	95.2	Very high	112 Å²	112	33.6 Å²	33.6	78%	0.783	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	74.3	165.5	-58.7	0	0	0	0	116.3	V832	S830-V832 PolarHBondContact O-N 2.58Å
831	D	87.1	Confident	95	Very high	92 Å²	92	29.4 Å²	29.4	49%	0.492	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.1	29.1	173.5	-155.6	44.2	0	0	0	117	N874	D831-N874 PolarHBondContact O-ND2 2.96Å; D831-N874 VanDerWaalsContact O-ND2 3.15Å; D831-N874 WeakPolarHBondContact OD1-CB 3.39Å
832	V	94.9	Very high	94.7	Very high	8 Å²	8	32.9 Å²	32.9	5%	0.048	17%	0.173	C	C	.	.			trans	-56.9	137.6	174.5	60.4	0	0	0	0	110.7	Y769 F772 V825 S830 I834	Y769-V832 HydrophobicContact CD2-CG2 3.94Å; Y769-V832 HydrophobicContact CE2-CB 4.41Å; Y769-V832 HydrophobicContact CE2-CG2 3.66Å; F772-V832 HydrophobicContact CB-CG1 3.81Å; F772-V832 HydrophobicContact CB-CG2 4.02Å; V825-V832 HydrophobicContact CG1-CG1 4.08Å; S830-V832 PolarHBondContact O-N 2.58Å; V832-I834 VanDerWaalsContact O-CG1 3.23Å; V832-I834 WeakPolarHBondContact O-CG1 3.48Å; V832-I834 PolarHBondContact O-N 2.84Å
833	P	97.9	Very high	94	Very high	37 Å²	37	33.5 Å²	33.5	24%	0.24	18%	0.176	C	C	.	.			trans	-59.4	127.7	172.9	-23.3	33.5	0	0	0	111.1	F771 F772 K876	F771-P833 CarbonylContact C-O 3.09Å; F771-P833 WeakPolarHBondContact CA-O 3.44Å; F771-P833 HydrophobicContact CB-CB 4.27Å; F771-P833 WeakPolarHBondContact CB-O 3.48Å; F772-P833 PolarHBondContact N-O 2.76Å; P833-K876 HydrophobicContact CB-CG 3.84Å
834	I	98.5	Very high	92.6	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	136.9	-175	-46.9	-175.4	0	0	0	111.1	F772 M774 L822 V825 V832 V873 N874 L875 K876	F772-I834 HydrophobicContact CB-CG1 4.46Å; F772-I834 HydrophobicContact CD1-CG2 4.43Å; F772-I834 CarbonylContact O-C 3.56Å; F772-I834 WeakPolarHBondContact O-CA 3.44Å; M774-I834 HydrophobicContact SD-CG2 4.21Å; L822-I834 HydrophobicContact CD2-CB 4.41Å; L822-I834 HydrophobicContact CD2-CD1 4.29Å; L822-I834 HydrophobicContact CD2-CG2 3.66Å; V825-I834 HydrophobicContact CB-CD1 3.89Å; V825-I834 HydrophobicContact CG1-CD1 3.58Å; V825-I834 HydrophobicContact CG1-CG1 4.19Å; V832-I834 VanDerWaalsContact O-CG1 3.23Å; V832-I834 WeakPolarHBondContact O-CG1 3.48Å; V832-I834 PolarHBondContact O-N 2.84Å; I834-V873 HydrophobicContact CD1-CG1 3.65Å; I834-V873 HydrophobicContact CG1-CG1 4.42Å; I834-N874 PolarHBondContact N-O 3.07Å; I834-L875 HydrophobicContact CB-CD1 4.35Å; I834-L875 HydrophobicContact CG2-CD1 4.43Å; I834-K876 PolarHBondContact O-N 2.7Å
835	Y	98.6	Very high	90.8	Very high	10 Å²	10	38.4 Å²	38.4	4%	0.039	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	126.6	171.4	-70.7	-93.3	0	0	0	110.5	A490 M651 R693 F771 F772 A773 M774 M837 K876 F879	A490-Y835 HydrophobicContact CB-CD1 4.41Å; A490-Y835 HydrophobicContact CB-CE1 3.89Å; M651-Y835 HydrophobicContact CE-CD1 3.78Å; M651-Y835 HydrophobicContact CE-CD2 3.8Å; M651-Y835 HydrophobicContact CE-CE1 4.06Å; M651-Y835 HydrophobicContact CE-CE2 4.05Å; M651-Y835 HydrophobicContact CE-CG 3.65Å; M651-Y835 HydrophobicContact SD-CE1 4.49Å; R693-Y835 PolarHBondContact NH1-OH 2.57Å; R693-Y835 VanDerWaalsContact NH1-OH 3.08Å; R693-Y835 PolarHBondContact NH2-OH 2.57Å; F771-Y835 HydrophobicContact CB-CD2 3.86Å; F771-Y835 HydrophobicContact CB-CE2 3.92Å; F771-Y835 AromaticContact CD2-CD2 3.58Å; F771-Y835 HydrophobicContact CD2-CD2 3.58Å; F771-Y835 HydrophobicContact CD2-CE2 4.2Å; F771-Y835 HydrophobicContact CD2-CG 4.38Å; F771-Y835 HydrophobicContact CE2-CD2 4.33Å; F771-Y835 AromaticContact CG-CD2 3.82Å; F771-Y835 HydrophobicContact CG-CD2 3.82Å; F771-Y835 AromaticContact CG-CE2 3.99Å; F771-Y835 HydrophobicContact CG-CE2 3.99Å; F772-Y835 PolarHBondContact O-N 2.84Å; A773-Y835 WeakPolarHBondContact CA-O 3.02Å; M774-Y835 PolarHBondContact N-O 3.24Å; Y835-M837 PolarHBondContact O-N 3.35Å; Y835-K876 HydrophobicContact CD1-CB 4.16Å; Y835-K876 HydrophobicContact CD2-CB 4.22Å; Y835-K876 HydrophobicContact CE1-CB 3.56Å; Y835-K876 HydrophobicContact CE2-CB 3.65Å; Y835-K876 HydrophobicContact CE2-CG 4.23Å; Y835-K876 HydrophobicContact CG-CB 4.46Å; Y835-K876 WeakPolarHBondContact OH-CB 3.41Å; Y835-F879 HydrophobicContact CD1-CE2 4.34Å
836	V	98.6	Very high	88.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	97.3	168.7	179.7	0	0	0	0	107.4	M774 L818 L822 N839 L875 G877 Y878 F879	M774-V836 HydrophobicContact CG-CG2 4.25Å; M774-V836 CarbonylContact O-C 3.55Å; M774-V836 WeakPolarHBondContact O-CA 3.47Å; M774-V836 HydrophobicContact SD-CG2 4.4Å; L818-V836 HydrophobicContact CD1-CG2 4.03Å; L822-V836 HydrophobicContact CD2-CG2 4.23Å; V836-N839 HydrophobicContact CG1-CB 3.79Å; V836-L875 HydrophobicContact CG2-CD1 4.06Å; V836-G877 PolarHBondContact N-O 3.5Å; V836-Y878 HydrophobicContact CB-CD2 4.06Å; V836-Y878 HydrophobicContact CG1-CD2 4.05Å; V836-Y878 HydrophobicContact CG1-CE2 4.22Å; V836-Y878 CarbonylContact O-C 3.56Å; V836-F879 WeakPolarHBondContact O-CB 3.47Å; V836-F879 WeakPolarHBondContact O-CD2 3.44Å; V836-F879 PolarHBondContact O-N 3.23Å
837	M	97.3	Very high	86.9	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-19.3	-171.9	-66.7	-54.8	-58	0	0	113.9	S494 H562 V602 M651 I653 A773 M774 Y835 F879	S494-M837 PolarHBondContact OG-O 2.84Å; H562-M837 HydrophobicContact CB-CE 4.09Å; V602-M837 HydrophobicContact CB-CE 4.36Å; V602-M837 HydrophobicContact CG1-CE 3.6Å; M651-M837 HydrophobicContact CE-CE 4.47Å; M651-M837 HydrophobicContact CE-SD 3.83Å; I653-M837 HydrophobicContact CD1-CE 4.48Å; I653-M837 HydrophobicContact CG1-CE 4.34Å; A773-M837 HydrophobicContact CB-CG 3.51Å; A773-M837 HydrophobicContact CB-SD 4.47Å; M774-M837 PolarHBondContact O-N 3.26Å; Y835-M837 PolarHBondContact O-N 3.35Å; M837-F879 HydrophobicContact CE-CD1 4.42Å; M837-F879 HydrophobicContact CE-CD2 4.46Å; M837-F879 HydrophobicContact CE-CE1 4.27Å; M837-F879 HydrophobicContact CE-CE2 4.32Å; M837-F879 HydrophobicContact CE-CZ 4.23Å; M837-F879 VanDerWaalsContact O-CB 3.28Å; M837-F879 WeakPolarHBondContact O-CB 3.37Å; M837-F879 HydrophobicContact SD-CD2 4.08Å; M837-F879 HydrophobicContact SD-CE2 3.96Å; M837-F879 HydrophobicContact SD-CZ 4.41Å
838	A	97.1	Very high	85.1	Confident	4 Å²	4	45.8 Å²	45.8	3%	0.033	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	125.1	169.4	0	0	0	0	0	110.2	S775 H776 F777 Y881	S775-A838 WeakPolarHBondContact CA-O 3.5Å; H776-A838 PolarHBondContact N-O 3.06Å; F777-A838 HydrophobicContact CE1-CB 4.39Å; F777-A838 HydrophobicContact CE2-CB 4.46Å; F777-A838 HydrophobicContact CZ-CB 3.74Å; A838-Y881 HydrophobicContact CB-CD2 4.25Å; A838-Y881 HydrophobicContact CB-CG 4.31Å
839	N	98.1	Very high	83.8	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	126	169.4	-177.2	-104.7	0	0	0	109.7	H776 V836 Y856 Y860 Y878 F879 A880 Y881	H776-N839 WeakPolarHBondContact O-CA 3.22Å; H776-N839 PolarHBondContact O-ND2 2.67Å; V836-N839 HydrophobicContact CG1-CB 3.79Å; N839-Y856 PolarHBondContact ND2-OH 3.03Å; N839-Y856 WeakPolarHBondContact OD1-CE1 3.42Å; N839-Y860 VanDerWaalsContact ND2-CD1 3.33Å; N839-Y860 WeakPolarHBondContact ND2-CD1 3.31Å; N839-Y860 WeakPolarHBondContact OD1-CB 3.14Å; N839-Y878 HydrophobicContact CB-CE2 3.96Å; N839-Y878 PolarHBondContact OD1-OH 3.12Å; N839-F879 PolarHBondContact N-O 3.22Å; N839-A880 WeakPolarHBondContact O-CA 3.45Å; N839-Y881 PolarHBondContact O-N 3.43Å
840	G	95.6	Very high	83.5	Confident	4 Å²	4	49 Å²	49	4%	0.041	26%	0.261	C	S	.	.			trans	-172	169.8	-172.2	0	0	0	0	0	113.4	F777 Y856 Y881	F777-G840 WeakPolarHBondContact CD1-O 3.13Å; G840-Y856 VanDerWaalsContact C-CE1 3.49Å; G840-Y856 PolarHBondContact O-OH 3.2Å; G840-Y881 WeakPolarHBondContact CA-O 3.31Å
841	V	93.9	Very high	84.1	Confident	6 Å²	6	45 Å²	45	4%	0.036	23%	0.232	C	C	.	.			trans	-133	140.2	178.9	67.5	0	0	0	0	110.1	V813 L852 R853 Y856	V813-V841 HydrophobicContact CG2-CG2 4.15Å; V841-L852 HydrophobicContact CG1-CG 4.36Å; V841-L852 HydrophobicContact CG2-CD2 3.83Å; V841-L852 HydrophobicContact CG2-CG 4.3Å; V841-R853 HydrophobicContact CG1-CB 3.98Å; V841-R853 HydrophobicContact CG1-CG 4.24Å; V841-R853 PolarHBondContact O-NH2 3.47Å; V841-Y856 HydrophobicContact CB-CD1 4.16Å; V841-Y856 HydrophobicContact CB-CD2 3.57Å; V841-Y856 HydrophobicContact CB-CE1 4.46Å; V841-Y856 HydrophobicContact CB-CE2 3.92Å; V841-Y856 HydrophobicContact CB-CG 3.71Å; V841-Y856 HydrophobicContact CG1-CD1 4.18Å; V841-Y856 HydrophobicContact CG1-CD2 4.02Å; V841-Y856 HydrophobicContact CG1-CG 3.7Å; V841-Y856 HydrophobicContact CG2-CD2 4.03Å; V841-Y856 HydrophobicContact CG2-CE2 4.4Å
842	Q	90.1	Very high	84.3	Confident	74 Å²	74	40.6 Å²	40.6	35%	0.346	21%	0.209	S	C	.	.			trans	-76.2	139.7	172.2	-161.6	177.7	-4.8	0	0	108.9	S809 P810 G890 F891	S809-Q842 WeakPolarHBondContact CB-O 3.45Å; S809-Q842 PolarHBondContact OG-O 3.05Å; P810-Q842 VanDerWaalsContact CD-OE1 3.29Å; Q842-G890 CarbonylContact C-O 3.48Å; Q842-G890 VanDerWaalsContact CA-O 3.27Å; Q842-G890 WeakPolarHBondContact CA-O 3.34Å; Q842-F891 HydrophobicContact CB-CD1 4.39Å; Q842-F891 HydrophobicContact CB-CD2 4.37Å; Q842-F891 HydrophobicContact CB-CE1 3.92Å; Q842-F891 HydrophobicContact CB-CE2 3.89Å; Q842-F891 HydrophobicContact CB-CZ 3.65Å; Q842-F891 HydrophobicContact CG-CD2 4.18Å; Q842-F891 HydrophobicContact CG-CE2 3.84Å; Q842-F891 HydrophobicContact CG-CZ 4.14Å
843	E	83.7	Confident	84.3	Confident	12 Å²	12	40.5 Å²	40.5	6%	0.056	21%	0.208	C	C	.	.			trans	-135.7	140.4	171.5	-166.1	166.1	178.3	0	0	108.7	P845 D850 S851 L852 R853 G890	E843-P845 VanDerWaalsContact O-CD 3.26Å; E843-P845 WeakPolarHBondContact O-CD 3.2Å; E843-D850 PolarHBondContact OE1-N 3.25Å; E843-D850 VanDerWaalsContact OE2-C 3.29Å; E843-D850 VanDerWaalsContact OE2-CA 3.24Å; E843-D850 WeakPolarHBondContact OE2-CA 3.34Å; E843-S851 PolarHBondContact OE1-N 3.16Å; E843-L852 HydrophobicContact CG-CB 4.5Å; E843-R853 PolarHBondContact OE2-N 2.97Å; E843-R853 IonicContact OE2-NH1 2.94Å; E843-G890 PolarHBondContact N-O 3.21Å; E843-G890 WeakPolarHBondContact O-CA 3.22Å
844	D	67.4	Low	84.1	Confident	84 Å²	84	40.3 Å²	40.3	45%	0.449	21%	0.206	S	C	.	.			trans	-60.7	117	178.7	179	2.4	0	0	0	110	A846 R847	D844-A846 PolarHBondContact O-N 3.41Å; D844-A846 VanDerWaalsContact O-N 3.16Å; D844-A846 WeakPolarHBondContact OD1-CB 3.32Å; D844-A846 PolarHBondContact OD1-N 3.4Å; D844-R847 HydrophobicContact CB-CG 4.27Å; D844-R847 PolarHBondContact O-N 2.99Å
845	P	58.3	Low	83.9	Confident	66 Å²	66	43.7 Å²	43.7	43%	0.429	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-56.2	-31.2	178.5	-23.5	33.6	0	0	0	112.7	E843 R847 F848	E843-P845 VanDerWaalsContact O-CD 3.26Å; E843-P845 WeakPolarHBondContact O-CD 3.2Å; P845-R847 PolarHBondContact O-N 3.24Å; P845-F848 WeakPolarHBondContact O-CD1 3.44Å; P845-F848 WeakPolarHBondContact O-CD2 3.49Å; P845-F848 WeakPolarHBondContact O-CE1 3.49Å; P845-F848 WeakPolarHBondContact O-CE2 3.18Å; P845-F848 WeakPolarHBondContact O-CG 3.46Å; P845-F848 WeakPolarHBondContact O-CZ 3.39Å; P845-F848 PolarHBondContact O-N 3.35Å
846	A	53.9	Low	83.7	Confident	74 Å²	74	43.3 Å²	43.3	61%	0.612	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-67.6	-16.4	-178.7	0	0	0	0	0	113.5	D844	D844-A846 PolarHBondContact O-N 3.41Å; D844-A846 VanDerWaalsContact O-N 3.16Å; D844-A846 WeakPolarHBondContact OD1-CB 3.32Å; D844-A846 PolarHBondContact OD1-N 3.4Å
847	R	57.3	Low	83.7	Confident	156 Å²	156	43.7 Å²	43.7	59%	0.589	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-88.4	-15.3	-179.7	-71.8	-174.1	173.9	-171.7	-1.1	113.9	D844 P845 K849	D844-R847 HydrophobicContact CB-CG 4.27Å; D844-R847 PolarHBondContact O-N 2.99Å; P845-R847 PolarHBondContact O-N 3.24Å; R847-K849 WeakPolarHBondContact O-CG 3.29Å; R847-K849 PolarHBondContact O-N 2.84Å
848	F	55.8	Low	83.6	Confident	139 Å²	139	48.3 Å²	48.3	61%	0.61	24%	0.238	S	C	*	.			trans	39.1	21.9	176.3	-64.9	-73.7	0	0	0	117.5	P845 V897 I902	P845-F848 WeakPolarHBondContact O-CD1 3.44Å; P845-F848 WeakPolarHBondContact O-CD2 3.49Å; P845-F848 WeakPolarHBondContact O-CE1 3.49Å; P845-F848 WeakPolarHBondContact O-CE2 3.18Å; P845-F848 WeakPolarHBondContact O-CG 3.46Å; P845-F848 WeakPolarHBondContact O-CZ 3.39Å; P845-F848 PolarHBondContact O-N 3.35Å; F848-V897 HydrophobicContact CE1-CG2 3.75Å; F848-V897 HydrophobicContact CZ-CG2 3.8Å; F848-I902 HydrophobicContact CE1-CD1 4.4Å
849	K	67.6	Low	83.6	Confident	139 Å²	139	49.8 Å²	49.8	60%	0.604	25%	0.245	S	C	*	.			trans	-99.3	-20.1	-176.4	-80.2	-179.3	-177.5	-172.8	0	113.4	R847 S851	R847-K849 WeakPolarHBondContact O-CG 3.29Å; R847-K849 PolarHBondContact O-N 2.84Å; K849-S851 WeakPolarHBondContact O-CA 3.37Å; K849-S851 PolarHBondContact O-N 3.22Å
850	D	85.2	Confident	83.6	Confident	11 Å²	11	49.8 Å²	49.8	6%	0.059	25%	0.245	C	C	.	.			trans	49.8	12.6	175.1	-165.6	44.3	0	0	0	115.1	E843 R853 V854 K904 A905 S906	E843-D850 PolarHBondContact OE1-N 3.25Å; E843-D850 VanDerWaalsContact OE2-C 3.29Å; E843-D850 VanDerWaalsContact OE2-CA 3.24Å; E843-D850 WeakPolarHBondContact OE2-CA 3.34Å; D850-R853 PolarHBondContact O-N 3.42Å; D850-R853 WeakPolarHBondContact OD1-CB 3.5Å; D850-R853 IonicContact OD1-CZ 3.54Å; D850-R853 IonicContact OD1-NE 3.61Å; D850-R853 IonicContact OD1-NH1 2.95Å; D850-R853 PolarHBondContact OD1-NH1 2.84Å; D850-V854 WeakPolarHBondContact O-CG2 3.47Å; D850-V854 PolarHBondContact O-N 2.85Å; D850-V854 VanDerWaalsContact O-N 3.11Å; D850-K904 HydrophobicContact CB-CB 4.19Å; D850-K904 WeakPolarHBondContact OD2-CB 3.26Å; D850-A905 HydrophobicContact CB-CB 4.43Å; D850-A905 PolarHBondContact OD2-N 3.38Å; D850-S906 WeakPolarHBondContact OD2-CA 3.41Å; D850-S906 WeakPolarHBondContact OD2-CB 3.4Å; D850-S906 PolarHBondContact OD2-N 3.02Å; D850-S906 PolarHBondContact OD2-OG 3.25Å; D850-S906 VanDerWaalsContact OD2-OG 3.05Å
851	S	89.6	Confident	83.7	Confident	27 Å²	27	49.6 Å²	49.6	19%	0.189	24%	0.243	C	C	.	.	H	α-helix	trans	-77.5	-31.4	-166.6	51.2	0	0	0	0	110.8	Y35 P36 E843 K849 Y855	Y35-S851 VanDerWaalsContact O-CB 3.24Å; Y35-S851 WeakPolarHBondContact O-CB 3.33Å; Y35-S851 PolarHBondContact O-OG 3.05Å; Y35-S851 VanDerWaalsContact O-OG 3.1Å; P36-S851 WeakPolarHBondContact CD-O 3.47Å; E843-S851 PolarHBondContact OE1-N 3.16Å; K849-S851 WeakPolarHBondContact O-CA 3.37Å; K849-S851 PolarHBondContact O-N 3.22Å; S851-Y855 WeakPolarHBondContact O-CB 3.26Å; S851-Y855 PolarHBondContact O-N 3.48Å
852	L	91.6	Very high	83.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-69.3	-43.6	174.7	-178.2	67.2	0	0	0	110.4	Y35 P36 I807 V813 V841 E843 V854 Y855 Y856	Y35-L852 HydrophobicContact CE1-CB 3.8Å; Y35-L852 HydrophobicContact CE1-CD1 4.43Å; Y35-L852 HydrophobicContact CE1-CD2 4.47Å; Y35-L852 HydrophobicContact CE1-CG 4.47Å; P36-L852 HydrophobicContact CB-CD1 3.78Å; P36-L852 HydrophobicContact CG-CD1 3.97Å; I807-L852 HydrophobicContact CG2-CD1 3.7Å; V813-L852 HydrophobicContact CG2-CD1 4.22Å; V841-L852 HydrophobicContact CG1-CG 4.36Å; V841-L852 HydrophobicContact CG2-CD2 3.83Å; V841-L852 HydrophobicContact CG2-CG 4.3Å; E843-L852 HydrophobicContact CG-CB 4.5Å; L852-V854 VanDerWaalsContact C-N 3.35Å; L852-V854 PolarHBondContact O-N 3.42Å; L852-Y855 PolarHBondContact O-N 3.4Å; L852-Y856 VanDerWaalsContact O-CB 3.23Å; L852-Y856 WeakPolarHBondContact O-CB 3.18Å; L852-Y856 PolarHBondContact O-N 3.12Å
853	R	93.6	Very high	84.3	Confident	6 Å²	6	46.6 Å²	46.6	2%	0.023	23%	0.229	C	C	.	.	H	α-helix	trans	-63.4	-40.7	177.9	-172.1	176.4	-69.2	91.8	16.1	112.3	V841 E843 D850 Y856 L857 G890 F891 S906	V841-R853 HydrophobicContact CG1-CB 3.98Å; V841-R853 HydrophobicContact CG1-CG 4.24Å; V841-R853 PolarHBondContact O-NH2 3.47Å; E843-R853 PolarHBondContact OE2-N 2.97Å; E843-R853 IonicContact OE2-NH1 2.94Å; D850-R853 PolarHBondContact O-N 3.42Å; D850-R853 WeakPolarHBondContact OD1-CB 3.5Å; D850-R853 IonicContact OD1-CZ 3.54Å; D850-R853 IonicContact OD1-NE 3.61Å; D850-R853 IonicContact OD1-NH1 2.95Å; D850-R853 PolarHBondContact OD1-NH1 2.84Å; R853-Y856 PolarHBondContact O-N 3.44Å; R853-L857 HydrophobicContact CG-CD1 4.08Å; R853-L857 HydrophobicContact CG-CG 4.37Å; R853-L857 WeakPolarHBondContact O-CB 3.46Å; R853-L857 WeakPolarHBondContact O-CG 2.71Å; R853-L857 PolarHBondContact O-N 3.29Å; R853-G890 PolarHBondContact NH2-O 3.23Å; R853-F891 PolarHBondContact NE-O 2.77Å; R853-S906 VanDerWaalsContact CD-OG 3.32Å; R853-S906 WeakPolarHBondContact CD-OG 3.37Å
854	V	94.3	Very high	85	Confident	34 Å²	34	46 Å²	46	21%	0.206	23%	0.226	C	C	.	.	H	α-helix	trans	-57.9	-51.4	172	171.9	0	0	0	0	110.9	D850 L852 Y856 Y858 A905 N909	D850-V854 WeakPolarHBondContact O-CG2 3.47Å; D850-V854 PolarHBondContact O-N 2.85Å; D850-V854 VanDerWaalsContact O-N 3.11Å; L852-V854 VanDerWaalsContact C-N 3.35Å; L852-V854 PolarHBondContact O-N 3.42Å; V854-Y856 VanDerWaalsContact C-N 3.35Å; V854-Y856 PolarHBondContact O-N 2.89Å; V854-Y858 VanDerWaalsContact O-CB 3.31Å; V854-Y858 WeakPolarHBondContact O-CB 3.34Å; V854-Y858 PolarHBondContact O-N 2.86Å; V854-A905 HydrophobicContact CG2-CB 4.14Å; V854-N909 HydrophobicContact CG1-CB 4.33Å; V854-N909 HydrophobicContact CG2-CB 4.44Å
855	Y	94.1	Very high	86.4	Confident	72 Å²	72	42 Å²	42	28%	0.282	21%	0.205	S	C	.	.	H	α-helix	trans	-59.7	-44.4	177.1	175	-90.4	0	0	0	112.1	P36 I807 V813 S851 L852 N859	P36-Y855 HydrophobicContact CG-CD1 4.08Å; P36-Y855 HydrophobicContact CG-CD2 4.18Å; P36-Y855 HydrophobicContact CG-CG 3.68Å; I807-Y855 HydrophobicContact CD1-CD1 4.38Å; I807-Y855 HydrophobicContact CD1-CE1 3.82Å; V813-Y855 HydrophobicContact CG1-CD1 4.33Å; V813-Y855 HydrophobicContact CG1-CE1 4.09Å; S851-Y855 WeakPolarHBondContact O-CB 3.26Å; S851-Y855 PolarHBondContact O-N 3.48Å; L852-Y855 PolarHBondContact O-N 3.4Å; Y855-N859 VanDerWaalsContact CD2-ND2 3.35Å; Y855-N859 WeakPolarHBondContact CD2-ND2 3.39Å; Y855-N859 VanDerWaalsContact CE2-ND2 3.26Å; Y855-N859 WeakPolarHBondContact CE2-ND2 3.34Å; Y855-N859 PolarHBondContact O-N 3.3Å; Y855-N859 VanDerWaalsContact O-N 3.12Å; Y855-N859 PolarHBondContact O-ND2 2.75Å
856	Y	95.7	Very high	88.2	Confident	2 Å²	2	39 Å²	39	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-60.9	-57.4	-179.3	-177.9	-82.6	0	0	0	110.8	F777 V813 N839 G840 V841 L852 R853 V854 Y858 N859 Y860	F777-Y856 WeakPolarHBondContact CA-OH 3.37Å; F777-Y856 PolarHBondContact O-OH 3.2Å; V813-Y856 HydrophobicContact CB-CD2 4.34Å; V813-Y856 HydrophobicContact CG1-CD2 3.74Å; V813-Y856 HydrophobicContact CG1-CE2 4.42Å; V813-Y856 HydrophobicContact CG2-CD2 3.93Å; V813-Y856 HydrophobicContact CG2-CE2 4.42Å; N839-Y856 PolarHBondContact ND2-OH 3.03Å; N839-Y856 WeakPolarHBondContact OD1-CE1 3.42Å; G840-Y856 VanDerWaalsContact C-CE1 3.49Å; G840-Y856 PolarHBondContact O-OH 3.2Å; V841-Y856 HydrophobicContact CB-CD1 4.16Å; V841-Y856 HydrophobicContact CB-CD2 3.57Å; V841-Y856 HydrophobicContact CB-CE1 4.46Å; V841-Y856 HydrophobicContact CB-CE2 3.92Å; V841-Y856 HydrophobicContact CB-CG 3.71Å; V841-Y856 HydrophobicContact CG1-CD1 4.18Å; V841-Y856 HydrophobicContact CG1-CD2 4.02Å; V841-Y856 HydrophobicContact CG1-CG 3.7Å; V841-Y856 HydrophobicContact CG2-CD2 4.03Å; V841-Y856 HydrophobicContact CG2-CE2 4.4Å; L852-Y856 VanDerWaalsContact O-CB 3.23Å; L852-Y856 WeakPolarHBondContact O-CB 3.18Å; L852-Y856 PolarHBondContact O-N 3.12Å; R853-Y856 PolarHBondContact O-N 3.44Å; V854-Y856 VanDerWaalsContact C-N 3.35Å; V854-Y856 PolarHBondContact O-N 2.89Å; Y856-Y858 VanDerWaalsContact C-N 3.33Å; Y856-Y858 PolarHBondContact O-N 3.13Å; Y856-N859 PolarHBondContact O-N 2.92Å; Y856-Y860 AromaticContact CD1-CD2 3.94Å; Y856-Y860 HydrophobicContact CD1-CD2 3.94Å; Y856-Y860 HydrophobicContact CD1-CE2 4.39Å; Y856-Y860 HydrophobicContact CD1-CG 4.35Å; Y856-Y860 AromaticContact CD2-CD2 3.77Å; Y856-Y860 HydrophobicContact CD2-CD2 3.77Å; Y856-Y860 AromaticContact CD2-CE2 3.45Å; Y856-Y860 HydrophobicContact CD2-CE2 3.45Å; Y856-Y860 VanDerWaalsContact CD2-CE2 3.45Å; Y856-Y860 HydrophobicContact CE1-CD1 4.39Å; Y856-Y860 AromaticContact CE1-CD2 3.84Å; Y856-Y860 HydrophobicContact CE1-CD2 3.84Å; Y856-Y860 HydrophobicContact CE1-CE2 4.13Å; Y856-Y860 AromaticContact CE1-CG 3.97Å; Y856-Y860 HydrophobicContact CE1-CG 3.97Å; Y856-Y860 AromaticContact CE2-CD2 3.68Å; Y856-Y860 HydrophobicContact CE2-CD2 3.68Å; Y856-Y860 HydrophobicContact CE2-CE1 4.26Å; Y856-Y860 AromaticContact CE2-CE2 3.13Å; Y856-Y860 HydrophobicContact CE2-CE2 3.13Å; Y856-Y860 HydrophobicContact CE2-CG 4.42Å; Y856-Y860 AromaticContact CE2-CZ 3.45Å; Y856-Y860 VanDerWaalsContact CE2-CZ 3.45Å; Y856-Y860 AromaticContact CG-CD2 3.89Å; Y856-Y860 HydrophobicContact CG-CD2 3.89Å; Y856-Y860 HydrophobicContact CG-CE2 4.07Å; Y856-Y860 AromaticContact CZ-CD2 3.69Å; Y856-Y860 AromaticContact CZ-CE1 3.93Å; Y856-Y860 AromaticContact CZ-CE2 3.49Å; Y856-Y860 VanDerWaalsContact CZ-CE2 3.49Å; Y856-Y860 AromaticContact CZ-CG 3.98Å; Y856-Y860 AromaticContact CZ-CZ 3.6Å; Y856-Y860 WeakPolarHBondContact O-CB 3.42Å; Y856-Y860 WeakPolarHBondContact O-CD2 3.42Å; Y856-Y860 PolarHBondContact O-N 3.46Å
857	L	97.1	Very high	90.3	Very high	7 Å²	7	35.5 Å²	35.5	4%	0.037	16%	0.156	C	C	.	.	H	α-helix	trans	-60.8	-42.9	-177.7	-69.7	175.8	0	0	0	111.5	R853 N859 I861 Y878 A880 L893	R853-L857 HydrophobicContact CG-CD1 4.08Å; R853-L857 HydrophobicContact CG-CG 4.37Å; R853-L857 WeakPolarHBondContact O-CB 3.46Å; R853-L857 WeakPolarHBondContact O-CG 2.71Å; R853-L857 PolarHBondContact O-N 3.29Å; L857-N859 PolarHBondContact O-N 2.92Å; L857-I861 HydrophobicContact CB-CD1 4.35Å; L857-I861 VanDerWaalsContact O-CB 3.28Å; L857-I861 WeakPolarHBondContact O-CB 3.38Å; L857-I861 WeakPolarHBondContact O-CD1 3.33Å; L857-I861 WeakPolarHBondContact O-CG1 3.22Å; L857-I861 PolarHBondContact O-N 2.9Å; L857-Y878 HydrophobicContact CD2-CE1 4.45Å; L857-A880 HydrophobicContact CD2-CB 4.17Å; L857-L893 HydrophobicContact CD1-CD2 4.16Å
858	Y	96.4	Very high	92.1	Very high	97 Å²	97	30.9 Å²	30.9	38%	0.38	14%	0.14	S	C	.	.	H	α-helix	trans	-55.9	-53.1	177.1	-178.5	-86.1	0	0	0	111.5	V854 Y856 N862 F919	V854-Y858 VanDerWaalsContact O-CB 3.31Å; V854-Y858 WeakPolarHBondContact O-CB 3.34Å; V854-Y858 PolarHBondContact O-N 2.86Å; Y856-Y858 VanDerWaalsContact C-N 3.33Å; Y856-Y858 PolarHBondContact O-N 3.13Å; Y858-N862 VanDerWaalsContact O-CB 3.32Å; Y858-N862 WeakPolarHBondContact O-CB 3.45Å; Y858-N862 PolarHBondContact O-N 2.94Å; Y858-F919 HydrophobicContact CD2-CD1 4.4Å; Y858-F919 AromaticContact CD2-CE1 3.56Å; Y858-F919 HydrophobicContact CD2-CE1 3.56Å; Y858-F919 HydrophobicContact CD2-CZ 4.33Å; Y858-F919 AromaticContact CE2-CD1 3.78Å; Y858-F919 HydrophobicContact CE2-CD1 3.78Å; Y858-F919 AromaticContact CE2-CE1 3.38Å; Y858-F919 HydrophobicContact CE2-CE1 3.38Å; Y858-F919 HydrophobicContact CE2-CZ 4.42Å; Y858-F919 HydrophobicContact CG-CE1 4.27Å; Y858-F919 AromaticContact CZ-CE1 3.96Å; Y858-F919 WeakPolarHBondContact O-CZ 3.44Å
859	N	95.8	Very high	93.9	Very high	35 Å²	35	27.2 Å²	27.2	19%	0.187	13%	0.129	C	C	.	.	H	α-helix	trans	-73.9	-40.1	-174.4	-70.2	-75.6	0	0	0	112.6	P815 Y855 Y856 L857 N862 E863	P815-N859 HydrophobicContact CB-CB 3.74Å; P815-N859 HydrophobicContact CG-CB 3.5Å; Y855-N859 VanDerWaalsContact CD2-ND2 3.35Å; Y855-N859 WeakPolarHBondContact CD2-ND2 3.39Å; Y855-N859 VanDerWaalsContact CE2-ND2 3.26Å; Y855-N859 WeakPolarHBondContact CE2-ND2 3.34Å; Y855-N859 PolarHBondContact O-N 3.3Å; Y855-N859 VanDerWaalsContact O-N 3.12Å; Y855-N859 PolarHBondContact O-ND2 2.75Å; Y856-N859 PolarHBondContact O-N 2.92Å; L857-N859 PolarHBondContact O-N 2.92Å; N859-N862 PolarHBondContact O-N 3.13Å; N859-E863 WeakPolarHBondContact O-CG 3.18Å; N859-E863 PolarHBondContact O-N 3.09Å
860	Y	98	Very high	95.2	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66	-42.2	178.4	-87.6	-101.7	0	0	0	112.1	H776 F777 V813 V814 P815 L818 N839 Y856 N862 E863 A864	H776-Y860 AromaticContact CD2-CE1 3.56Å; H776-Y860 AromaticContact NE2-CE1 3.56Å; F777-Y860 PolarHBondContact O-OH 3.18Å; V813-Y860 HydrophobicContact CG1-CE2 4.12Å; V814-Y860 VanDerWaalsContact C-OH 3.25Å; V814-Y860 PolarHBondContact N-OH 3.08Å; V814-Y860 PolarHBondContact O-OH 3.39Å; V814-Y860 VanDerWaalsContact O-OH 3.12Å; P815-Y860 VanDerWaalsContact CA-CE2 3.49Å; P815-Y860 HydrophobicContact CB-CD2 3.89Å; P815-Y860 HydrophobicContact CB-CE2 4.05Å; P815-Y860 HydrophobicContact CB-CG 4.37Å; P815-Y860 HydrophobicContact CG-CD2 3.89Å; P815-Y860 HydrophobicContact CG-CE2 3.81Å; L818-Y860 HydrophobicContact CB-CD1 3.81Å; L818-Y860 HydrophobicContact CB-CE1 4.14Å; L818-Y860 HydrophobicContact CD2-CD1 3.98Å; N839-Y860 VanDerWaalsContact ND2-CD1 3.33Å; N839-Y860 WeakPolarHBondContact ND2-CD1 3.31Å; N839-Y860 WeakPolarHBondContact OD1-CB 3.14Å; Y856-Y860 AromaticContact CD1-CD2 3.94Å; Y856-Y860 HydrophobicContact CD1-CD2 3.94Å; Y856-Y860 HydrophobicContact CD1-CE2 4.39Å; Y856-Y860 HydrophobicContact CD1-CG 4.35Å; Y856-Y860 AromaticContact CD2-CD2 3.77Å; Y856-Y860 HydrophobicContact CD2-CD2 3.77Å; Y856-Y860 AromaticContact CD2-CE2 3.45Å; Y856-Y860 HydrophobicContact CD2-CE2 3.45Å; Y856-Y860 VanDerWaalsContact CD2-CE2 3.45Å; Y856-Y860 HydrophobicContact CE1-CD1 4.39Å; Y856-Y860 AromaticContact CE1-CD2 3.84Å; Y856-Y860 HydrophobicContact CE1-CD2 3.84Å; Y856-Y860 HydrophobicContact CE1-CE2 4.13Å; Y856-Y860 AromaticContact CE1-CG 3.97Å; Y856-Y860 HydrophobicContact CE1-CG 3.97Å; Y856-Y860 AromaticContact CE2-CD2 3.68Å; Y856-Y860 HydrophobicContact CE2-CD2 3.68Å; Y856-Y860 HydrophobicContact CE2-CE1 4.26Å; Y856-Y860 AromaticContact CE2-CE2 3.13Å; Y856-Y860 HydrophobicContact CE2-CE2 3.13Å; Y856-Y860 HydrophobicContact CE2-CG 4.42Å; Y856-Y860 AromaticContact CE2-CZ 3.45Å; Y856-Y860 VanDerWaalsContact CE2-CZ 3.45Å; Y856-Y860 AromaticContact CG-CD2 3.89Å; Y856-Y860 HydrophobicContact CG-CD2 3.89Å; Y856-Y860 HydrophobicContact CG-CE2 4.07Å; Y856-Y860 AromaticContact CZ-CD2 3.69Å; Y856-Y860 AromaticContact CZ-CE1 3.93Å; Y856-Y860 AromaticContact CZ-CE2 3.49Å; Y856-Y860 VanDerWaalsContact CZ-CE2 3.49Å; Y856-Y860 AromaticContact CZ-CG 3.98Å; Y856-Y860 AromaticContact CZ-CZ 3.6Å; Y856-Y860 WeakPolarHBondContact O-CB 3.42Å; Y856-Y860 WeakPolarHBondContact O-CD2 3.42Å; Y856-Y860 PolarHBondContact O-N 3.46Å; Y860-N862 VanDerWaalsContact C-N 3.29Å; Y860-N862 PolarHBondContact O-N 3.25Å; Y860-E863 PolarHBondContact O-N 3.49Å; Y860-A864 PolarHBondContact O-N 3.44Å
861	I	98.5	Very high	95.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.4	-36.4	174.8	-61.9	166.7	0	0	0	110.2	F485 W491 L857 A864 L865 Y878 Y910 I913 F919	F485-I861 HydrophobicContact CE2-CG2 3.89Å; F485-I861 HydrophobicContact CZ-CG2 4.19Å; W491-I861 HydrophobicContact CH2-CG2 3.79Å; W491-I861 HydrophobicContact CZ3-CD1 4.36Å; W491-I861 HydrophobicContact CZ3-CG2 4.08Å; L857-I861 HydrophobicContact CB-CD1 4.35Å; L857-I861 VanDerWaalsContact O-CB 3.28Å; L857-I861 WeakPolarHBondContact O-CB 3.38Å; L857-I861 WeakPolarHBondContact O-CD1 3.33Å; L857-I861 WeakPolarHBondContact O-CG1 3.22Å; L857-I861 PolarHBondContact O-N 2.9Å; I861-A864 WeakPolarHBondContact O-CB 3.23Å; I861-A864 PolarHBondContact O-N 3.01Å; I861-L865 PolarHBondContact O-N 3.3Å; I861-Y878 HydrophobicContact CD1-CD1 4.23Å; I861-Y878 HydrophobicContact CD1-CE1 3.75Å; I861-Y878 HydrophobicContact CG1-CD1 3.96Å; I861-Y878 HydrophobicContact CG1-CD2 4.29Å; I861-Y878 HydrophobicContact CG1-CE1 3.48Å; I861-Y878 VanDerWaalsContact CG1-CE1 3.48Å; I861-Y878 HydrophobicContact CG1-CE2 3.82Å; I861-Y878 HydrophobicContact CG1-CG 4.33Å; I861-Y910 HydrophobicContact CD1-CD2 3.81Å; I861-Y910 HydrophobicContact CD1-CE2 3.75Å; I861-I913 HydrophobicContact CD1-CD1 4.01Å; I861-I913 HydrophobicContact CD1-CG2 4.43Å; I861-I913 HydrophobicContact CG2-CG2 4.14Å; I861-F919 HydrophobicContact CB-CE2 4.25Å; I861-F919 HydrophobicContact CB-CZ 4.18Å; I861-F919 HydrophobicContact CG2-CE2 3.84Å; I861-F919 HydrophobicContact CG2-CZ 4.11Å
862	N	97.8	Very high	95.9	Very high	3 Å²	3	28 Å²	28	2%	0.016	15%	0.146	C	C	.	.	H	α-helix	trans	-66.2	-39.9	176.5	-163.3	-93.9	0	0	0	112.5	P480 A481 Y858 N859 Y860 A864 L865 K866 F919	P480-N862 VanDerWaalsContact CA-OD1 3.32Å; P480-N862 WeakPolarHBondContact CA-OD1 3.47Å; A481-N862 PolarHBondContact N-OD1 3.34Å; A481-N862 PolarHBondContact O-ND2 3.12Å; Y858-N862 VanDerWaalsContact O-CB 3.32Å; Y858-N862 WeakPolarHBondContact O-CB 3.45Å; Y858-N862 PolarHBondContact O-N 2.94Å; N859-N862 PolarHBondContact O-N 3.13Å; Y860-N862 VanDerWaalsContact C-N 3.29Å; Y860-N862 PolarHBondContact O-N 3.25Å; N862-A864 VanDerWaalsContact C-N 3.34Å; N862-L865 WeakPolarHBondContact O-CB 3.47Å; N862-L865 PolarHBondContact O-N 3.44Å; N862-K866 WeakPolarHBondContact O-CG 3.29Å; N862-K866 PolarHBondContact O-N 3.2Å; N862-K866 WeakPolarHBondContact OD1-CE 3.43Å; N862-F919 HydrophobicContact CB-CD2 4.34Å; N862-F919 HydrophobicContact CB-CE2 3.77Å; N862-F919 HydrophobicContact CB-CZ 4.07Å; N862-F919 VanDerWaalsContact ND2-CD2 3.28Å; N862-F919 WeakPolarHBondContact ND2-CD2 3.46Å
863	E	98	Very high	96.2	Very high	15 Å²	15	28 Å²	28	7%	0.07	15%	0.147	C	C	.	.	H	α-helix	trans	-67	-34.7	173.5	-71.4	-63.3	150.4	0	0	112.4	P815 R819 N859 Y860 L865 K866 A867	P815-E863 HydrophobicContact CB-CG 3.81Å; P815-E863 WeakPolarHBondContact O-CB 3.37Å; R819-E863 HydrophobicContact CB-CB 4.15Å; R819-E863 WeakPolarHBondContact CD-OE2 3.5Å; N859-E863 WeakPolarHBondContact O-CG 3.18Å; N859-E863 PolarHBondContact O-N 3.09Å; Y860-E863 PolarHBondContact O-N 3.49Å; E863-L865 VanDerWaalsContact C-N 3.35Å; E863-K866 WeakPolarHBondContact O-CB 3.32Å; E863-K866 PolarHBondContact O-N 3.27Å; E863-K866 IonicContact OE1-NZ 3.72Å; E863-K866 PolarHBondContact OE1-NZ 2.86Å; E863-K866 IonicContact OE2-NZ 3.39Å; E863-A867 PolarHBondContact O-N 2.94Å
864	A	98.3	Very high	96.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.8	-37.9	169.5	0	0	0	0	0	112.1	F485 L818 L822 Y860 I861 N862 A867 F868 L875	F485-A864 HydrophobicContact CZ-CB 4.49Å; L818-A864 HydrophobicContact CD2-CB 4.1Å; L822-A864 HydrophobicContact CD1-CB 4.36Å; Y860-A864 PolarHBondContact O-N 3.44Å; I861-A864 WeakPolarHBondContact O-CB 3.23Å; I861-A864 PolarHBondContact O-N 3.01Å; N862-A864 VanDerWaalsContact C-N 3.34Å; A864-A867 WeakPolarHBondContact O-CB 3.27Å; A864-A867 PolarHBondContact O-N 3.03Å; A864-F868 PolarHBondContact O-N 2.86Å; A864-L875 HydrophobicContact CB-CD2 3.84Å
865	L	97.6	Very high	96.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.4	-40.4	173.5	-178.8	67.2	0	0	0	111.2	G483 F485 I861 N862 E863 F868 T869 F919	G483-L865 WeakPolarHBondContact O-CD2 3.41Å; F485-L865 HydrophobicContact CD1-CD1 4.09Å; F485-L865 HydrophobicContact CD2-CD1 4.1Å; F485-L865 HydrophobicContact CE1-CB 4.11Å; F485-L865 HydrophobicContact CE1-CD1 3.94Å; F485-L865 HydrophobicContact CE2-CB 4.05Å; F485-L865 HydrophobicContact CE2-CD1 3.98Å; F485-L865 HydrophobicContact CG-CD1 4.18Å; F485-L865 HydrophobicContact CZ-CB 3.57Å; F485-L865 HydrophobicContact CZ-CD1 3.92Å; F485-L865 HydrophobicContact CZ-CG 4.36Å; I861-L865 PolarHBondContact O-N 3.3Å; N862-L865 WeakPolarHBondContact O-CB 3.47Å; N862-L865 PolarHBondContact O-N 3.44Å; E863-L865 VanDerWaalsContact C-N 3.35Å; L865-F868 HydrophobicContact CD1-CD1 4.28Å; L865-F868 PolarHBondContact O-N 3.45Å; L865-T869 HydrophobicContact CD1-CG2 3.76Å; L865-T869 HydrophobicContact CG-CG2 4.15Å; L865-T869 WeakPolarHBondContact O-CB 3.49Å; L865-T869 WeakPolarHBondContact O-CG2 3.39Å; L865-T869 PolarHBondContact O-N 2.96Å; L865-T869 PolarHBondContact O-OG1 2.89Å; L865-F919 HydrophobicContact CD2-CB 4.41Å; L865-F919 HydrophobicContact CD2-CD2 3.78Å
866	K	96.8	Very high	96.7	Very high	3 Å²	3	26.9 Å²	26.9	1%	0.013	14%	0.142	C	C	.	.	H	α-helix	trans	-62.2	-43.1	173.4	-70.5	175.4	-168.8	176.9	0	111.6	E477 R479 A481 N862 E863 F868 T869 L870 D871	E477-K866 PolarHBondContact O-NZ 2.94Å; R479-K866 WeakPolarHBondContact O-CE 3.46Å; R479-K866 PolarHBondContact O-NZ 3.27Å; A481-K866 HydrophobicContact CB-CD 4.4Å; A481-K866 HydrophobicContact CB-CG 3.55Å; N862-K866 WeakPolarHBondContact O-CG 3.29Å; N862-K866 PolarHBondContact O-N 3.2Å; N862-K866 WeakPolarHBondContact OD1-CE 3.43Å; E863-K866 WeakPolarHBondContact O-CB 3.32Å; E863-K866 PolarHBondContact O-N 3.27Å; E863-K866 IonicContact OE1-NZ 3.72Å; E863-K866 PolarHBondContact OE1-NZ 2.86Å; E863-K866 IonicContact OE2-NZ 3.39Å; K866-F868 VanDerWaalsContact C-N 3.27Å; K866-F868 PolarHBondContact O-N 3.46Å; K866-T869 PolarHBondContact O-N 3.17Å; K866-L870 HydrophobicContact CB-CD1 4.05Å; K866-L870 HydrophobicContact CB-CG 4.44Å; K866-L870 HydrophobicContact CG-CD1 3.95Å; K866-L870 WeakPolarHBondContact O-CA 3.47Å; K866-L870 VanDerWaalsContact O-CB 3.26Å; K866-L870 WeakPolarHBondContact O-CB 3.42Å; K866-L870 PolarHBondContact O-N 3.02Å; K866-D871 PolarHBondContact O-N 3Å
867	A	96.9	Very high	96.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-56.9	-43.8	174.6	0	0	0	0	0	111.5	R819 L822 E863 A864 D871 G872 V873	R819-A867 HydrophobicContact CG-CB 4.09Å; L822-A867 HydrophobicContact CB-CB 4.17Å; L822-A867 HydrophobicContact CD1-CB 3.67Å; E863-A867 PolarHBondContact O-N 2.94Å; A864-A867 WeakPolarHBondContact O-CB 3.27Å; A864-A867 PolarHBondContact O-N 3.03Å; A867-D871 WeakPolarHBondContact CA-OD2 3.47Å; A867-D871 CarbonylContact O-C 3.58Å; A867-D871 WeakPolarHBondContact O-CB 3.38Å; A867-D871 PolarHBondContact O-N 3.09Å; A867-G872 PolarHBondContact O-N 3.24Å; A867-G872 VanDerWaalsContact O-N 3.16Å; A867-V873 HydrophobicContact CB-CB 4.18Å; A867-V873 HydrophobicContact CB-CG2 4.01Å; A867-V873 WeakPolarHBondContact O-CB 3.44Å; A867-V873 WeakPolarHBondContact O-CG2 3.32Å; A867-V873 PolarHBondContact O-N 3.2Å
868	F	96.3	Very high	96.9	Very high	58 Å²	58	26.5 Å²	26.5	25%	0.254	14%	0.14	S	C	.	.	H	α-helix	trans	-67.2	-52.6	177	171.6	-111.3	0	0	0	112.8	F485 P486 A864 L865 K866 G872 L875	F485-F868 HydrophobicContact CD1-CB 4.48Å; F485-F868 HydrophobicContact CD1-CD1 4.23Å; F485-F868 HydrophobicContact CD1-CG 4.42Å; F485-F868 HydrophobicContact CE1-CB 4.32Å; P486-F868 HydrophobicContact CG-CE1 4.18Å; P486-F868 HydrophobicContact CG-CE2 3.65Å; P486-F868 HydrophobicContact CG-CZ 3.46Å; P486-F868 VanDerWaalsContact CG-CZ 3.46Å; A864-F868 PolarHBondContact O-N 2.86Å; L865-F868 HydrophobicContact CD1-CD1 4.28Å; L865-F868 PolarHBondContact O-N 3.45Å; K866-F868 VanDerWaalsContact C-N 3.27Å; K866-F868 PolarHBondContact O-N 3.46Å; F868-G872 WeakPolarHBondContact O-CA 3.27Å; F868-G872 PolarHBondContact O-N 3.46Å; F868-L875 HydrophobicContact CB-CB 4.48Å
869	T	93.3	Very high	97	Very high	63 Å²	63	21.9 Å²	21.9	39%	0.387	12%	0.122	S	C	.	.	H	α-helix	trans	-83.5	-39.8	-169.6	53.8	0	0	0	0	114.3	L865 K866	L865-T869 HydrophobicContact CD1-CG2 3.76Å; L865-T869 HydrophobicContact CG-CG2 4.15Å; L865-T869 WeakPolarHBondContact O-CB 3.49Å; L865-T869 WeakPolarHBondContact O-CG2 3.39Å; L865-T869 PolarHBondContact O-N 2.96Å; L865-T869 PolarHBondContact O-OG1 2.89Å; K866-T869 PolarHBondContact O-N 3.17Å
870	L	94.2	Very high	97.1	Very high	113 Å²	113	20.2 Å²	20.2	59%	0.592	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-37.4	-174.3	-53.8	-178.3	0	0	0	111.9	K866	K866-L870 HydrophobicContact CB-CD1 4.05Å; K866-L870 HydrophobicContact CB-CG 4.44Å; K866-L870 HydrophobicContact CG-CD1 3.95Å; K866-L870 WeakPolarHBondContact O-CA 3.47Å; K866-L870 VanDerWaalsContact O-CB 3.26Å; K866-L870 WeakPolarHBondContact O-CB 3.42Å; K866-L870 PolarHBondContact O-N 3.02Å
871	D	95.1	Very high	97	Very high	40 Å²	40	21.4 Å²	21.4	21%	0.214	12%	0.118	C	C	.	.	S	Bend	trans	-100.4	-8.9	-175.1	-47	-32.8	0	0	0	112.9	R819 N823 K826 K866 A867 V873	R819-D871 WeakPolarHBondContact CG-OD2 3.2Å; R819-D871 IonicContact CZ-OD1 3.02Å; R819-D871 IonicContact CZ-OD2 3.64Å; R819-D871 IonicContact NE-OD1 3.84Å; R819-D871 IonicContact NE-OD2 3.2Å; R819-D871 PolarHBondContact NE-OD2 3.23Å; R819-D871 IonicContact NH2-OD1 3.82Å; R819-D871 PolarHBondContact NH2-OD1 3.47Å; R819-D871 IonicContact NH2-OD2 2.55Å; R819-D871 PolarHBondContact NH2-OD2 2.78Å; N823-D871 PolarHBondContact ND2-OD2 3.41Å; N823-D871 VanDerWaalsContact OD1-CB 3.24Å; N823-D871 WeakPolarHBondContact OD1-CB 3.44Å; K826-D871 PolarHBondContact NZ-O 3.16Å; K866-D871 PolarHBondContact O-N 3Å; A867-D871 WeakPolarHBondContact CA-OD2 3.47Å; A867-D871 CarbonylContact O-C 3.58Å; A867-D871 WeakPolarHBondContact O-CB 3.38Å; A867-D871 PolarHBondContact O-N 3.09Å; D871-V873 HydrophobicContact CB-CG2 4.33Å; D871-V873 PolarHBondContact O-N 2.87Å
872	G	94.9	Very high	96.8	Very high	39 Å²	39	21.4 Å²	21.4	40%	0.402	12%	0.118	S	C	.	.			trans	65	34.9	-179.2	0	0	0	0	0	113.3	K826 A867 F868	K826-G872 VanDerWaalsContact NZ-C 3.29Å; K826-G872 PolarHBondContact NZ-O 3.36Å; A867-G872 PolarHBondContact O-N 3.24Å; A867-G872 VanDerWaalsContact O-N 3.16Å; F868-G872 WeakPolarHBondContact O-CA 3.27Å; F868-G872 PolarHBondContact O-N 3.46Å
873	V	96.9	Very high	96.6	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	12%	0.118	C	C	.	.			trans	-71.1	131.7	171.9	174.9	0	0	0	0	109.5	L822 K826 I834 A867 D871 L875	L822-V873 HydrophobicContact CB-CG1 4.26Å; L822-V873 HydrophobicContact CB-CG2 4.37Å; K826-V873 HydrophobicContact CB-CG2 4.37Å; K826-V873 HydrophobicContact CD-CG2 4.03Å; I834-V873 HydrophobicContact CD1-CG1 3.65Å; I834-V873 HydrophobicContact CG1-CG1 4.42Å; A867-V873 HydrophobicContact CB-CB 4.18Å; A867-V873 HydrophobicContact CB-CG2 4.01Å; A867-V873 WeakPolarHBondContact O-CB 3.44Å; A867-V873 WeakPolarHBondContact O-CG2 3.32Å; A867-V873 PolarHBondContact O-N 3.2Å; D871-V873 HydrophobicContact CB-CG2 4.33Å; D871-V873 PolarHBondContact O-N 2.87Å; V873-L875 HydrophobicContact CG1-CB 4.35Å; V873-L875 PolarHBondContact O-N 2.98Å
874	N	97.3	Very high	96.2	Very high	33 Å²	33	21.9 Å²	21.9	18%	0.176	12%	0.121	C	C	.	.			trans	-73.9	58.8	176.2	-168	7.4	0	0	0	112.6	D831 I834 K876	D831-N874 PolarHBondContact O-ND2 2.96Å; D831-N874 VanDerWaalsContact O-ND2 3.15Å; D831-N874 WeakPolarHBondContact OD1-CB 3.39Å; I834-N874 PolarHBondContact N-O 3.07Å; N874-K876 WeakPolarHBondContact OD1-CE 3.3Å; N874-K876 PolarHBondContact OD1-NZ 2.84Å
875	L	98.1	Very high	95.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	126.6	-179.9	-172.2	71	0	0	0	110.5	F485 F489 L822 I834 V836 A864 F868 V873	F485-L875 HydrophobicContact CE1-CD2 3.89Å; F489-L875 HydrophobicContact CE2-CD2 3.99Å; F489-L875 HydrophobicContact CE2-CG 3.89Å; F489-L875 HydrophobicContact CZ-CD2 4.09Å; F489-L875 HydrophobicContact CZ-CG 4.3Å; L822-L875 HydrophobicContact CD1-CD1 4.44Å; L822-L875 HydrophobicContact CD2-CD1 3.94Å; I834-L875 HydrophobicContact CB-CD1 4.35Å; I834-L875 HydrophobicContact CG2-CD1 4.43Å; V836-L875 HydrophobicContact CG2-CD1 4.06Å; A864-L875 HydrophobicContact CB-CD2 3.84Å; F868-L875 HydrophobicContact CB-CB 4.48Å; V873-L875 HydrophobicContact CG1-CB 4.35Å; V873-L875 PolarHBondContact O-N 2.98Å
876	K	98.1	Very high	95	Very high	56 Å²	56	27.1 Å²	27.1	24%	0.243	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-13.5	-175.2	-64.1	-51.1	-164.6	-160.7	0	114.8	A490 P833 I834 Y835 N874	A490-K876 PolarHBondContact N-O 3.41Å; P833-K876 HydrophobicContact CB-CG 3.84Å; I834-K876 PolarHBondContact O-N 2.7Å; Y835-K876 HydrophobicContact CD1-CB 4.16Å; Y835-K876 HydrophobicContact CD2-CB 4.22Å; Y835-K876 HydrophobicContact CE1-CB 3.56Å; Y835-K876 HydrophobicContact CE2-CB 3.65Å; Y835-K876 HydrophobicContact CE2-CG 4.23Å; Y835-K876 HydrophobicContact CG-CB 4.46Å; Y835-K876 WeakPolarHBondContact OH-CB 3.41Å; N874-K876 WeakPolarHBondContact OD1-CE 3.3Å; N874-K876 PolarHBondContact OD1-NZ 2.84Å
877	G	98.1	Very high	94.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.5	160.3	178.2	0	0	0	0	0	114.8	A490 V836	A490-G877 CarbonylContact O-C 3.55Å; A490-G877 WeakPolarHBondContact O-CA 3.34Å; V836-G877 PolarHBondContact N-O 3.5Å
878	Y	98.7	Very high	93.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	129	-179.9	-177.9	-81.4	0	0	0	110.1	A490 W491 G492 L818 V836 N839 L857 I861 A880 Y910	A490-Y878 PolarHBondContact O-N 3.05Å; W491-Y878 HydrophobicContact CZ3-CD1 4.4Å; G492-Y878 PolarHBondContact N-O 3.23Å; L818-Y878 HydrophobicContact CD2-CE2 4.2Å; V836-Y878 HydrophobicContact CB-CD2 4.06Å; V836-Y878 HydrophobicContact CG1-CD2 4.05Å; V836-Y878 HydrophobicContact CG1-CE2 4.22Å; V836-Y878 CarbonylContact O-C 3.56Å; N839-Y878 HydrophobicContact CB-CE2 3.96Å; N839-Y878 PolarHBondContact OD1-OH 3.12Å; L857-Y878 HydrophobicContact CD2-CE1 4.45Å; I861-Y878 HydrophobicContact CD1-CD1 4.23Å; I861-Y878 HydrophobicContact CD1-CE1 3.75Å; I861-Y878 HydrophobicContact CG1-CD1 3.96Å; I861-Y878 HydrophobicContact CG1-CD2 4.29Å; I861-Y878 HydrophobicContact CG1-CE1 3.48Å; I861-Y878 VanDerWaalsContact CG1-CE1 3.48Å; I861-Y878 HydrophobicContact CG1-CE2 3.82Å; I861-Y878 HydrophobicContact CG1-CG 4.33Å; Y878-A880 HydrophobicContact CE1-CB 4.5Å; Y878-Y910 HydrophobicContact CD1-CE2 4.25Å; Y878-Y910 HydrophobicContact CE1-CE2 4.31Å; Y878-Y910 PolarHBondContact O-OH 2.85Å
879	F	98.6	Very high	93.3	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	113.7	-176.8	-69.2	-113.6	0	0	0	110.2	A490 G492 S494 H560 H562 V602 Y835 V836 M837 N839	A490-F879 HydrophobicContact CB-CE2 4.34Å; G492-F879 WeakPolarHBondContact O-CA 3.49Å; S494-F879 WeakPolarHBondContact OG-CB 3.28Å; H560-F879 HydrophobicContact CB-CE1 3.65Å; H560-F879 HydrophobicContact CB-CZ 3.56Å; H562-F879 HydrophobicContact CB-CD1 3.7Å; H562-F879 HydrophobicContact CB-CE1 3.82Å; V602-F879 HydrophobicContact CG2-CE1 3.96Å; V602-F879 HydrophobicContact CG2-CZ 3.89Å; Y835-F879 HydrophobicContact CD1-CE2 4.34Å; V836-F879 WeakPolarHBondContact O-CB 3.47Å; V836-F879 WeakPolarHBondContact O-CD2 3.44Å; V836-F879 PolarHBondContact O-N 3.23Å; M837-F879 HydrophobicContact CE-CD1 4.42Å; M837-F879 HydrophobicContact CE-CD2 4.46Å; M837-F879 HydrophobicContact CE-CE1 4.27Å; M837-F879 HydrophobicContact CE-CE2 4.32Å; M837-F879 HydrophobicContact CE-CZ 4.23Å; M837-F879 VanDerWaalsContact O-CB 3.28Å; M837-F879 WeakPolarHBondContact O-CB 3.37Å; M837-F879 HydrophobicContact SD-CD2 4.08Å; M837-F879 HydrophobicContact SD-CE2 3.96Å; M837-F879 HydrophobicContact SD-CZ 4.41Å; N839-F879 PolarHBondContact N-O 3.22Å
880	A	98.1	Very high	93	Very high	1 Å²	1	31 Å²	31	1%	0.008	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	136.6	174.9	0	0	0	0	0	110.5	G492 V493 S494 N839 L857 Y878 Y910	G492-A880 PolarHBondContact O-N 3.34Å; V493-A880 WeakPolarHBondContact CA-O 3.25Å; V493-A880 WeakPolarHBondContact CG2-O 3.38Å; S494-A880 PolarHBondContact N-O 3.16Å; N839-A880 WeakPolarHBondContact O-CA 3.45Å; L857-A880 HydrophobicContact CD2-CB 4.17Å; Y878-A880 HydrophobicContact CE1-CB 4.5Å; A880-Y910 HydrophobicContact CB-CD1 4.03Å; A880-Y910 HydrophobicContact CB-CE1 3.56Å; A880-Y910 HydrophobicContact CB-CE2 4.4Å
881	Y	96.1	Very high	92.9	Very high	25 Å²	25	27.8 Å²	27.8	10%	0.098	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	121.9	176.8	-178.1	-93.8	0	0	0	110.3	N496 F777 A838 N839 G840 D888 F891	N496-Y881 PolarHBondContact ND2-OH 3.36Å; F777-Y881 AromaticContact CE1-CD1 3.71Å; F777-Y881 HydrophobicContact CE1-CD1 3.71Å; F777-Y881 HydrophobicContact CE1-CE1 4.35Å; F777-Y881 HydrophobicContact CE1-CG 4.08Å; F777-Y881 HydrophobicContact CZ-CD1 4.23Å; F777-Y881 HydrophobicContact CZ-CG 4.37Å; A838-Y881 HydrophobicContact CB-CD2 4.25Å; A838-Y881 HydrophobicContact CB-CG 4.31Å; N839-Y881 PolarHBondContact O-N 3.43Å; G840-Y881 WeakPolarHBondContact CA-O 3.31Å; Y881-D888 PolarHBondContact OH-OD1 3.29Å; Y881-F891 HydrophobicContact CD1-CB 4.08Å; Y881-F891 AromaticContact CD1-CD1 3.62Å; Y881-F891 HydrophobicContact CD1-CD1 3.62Å; Y881-F891 HydrophobicContact CD1-CE1 4.23Å; Y881-F891 AromaticContact CD1-CG 3.96Å; Y881-F891 HydrophobicContact CD1-CG 3.96Å; Y881-F891 HydrophobicContact CE1-CB 3.9Å; Y881-F891 AromaticContact CE1-CD1 3.63Å; Y881-F891 HydrophobicContact CE1-CD1 3.63Å; Y881-F891 HydrophobicContact CE1-CD2 4.1Å; Y881-F891 HydrophobicContact CE1-CE1 4.11Å; Y881-F891 AromaticContact CE1-CG 3.61Å; Y881-F891 HydrophobicContact CE1-CG 3.61Å
882	A	93.6	Very high	92.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.135	C	C	.	.			cis	-126.2	172.2	5.5	0	0	0	0	0	112.6	S494 D888 F891 G892 L893	S494-A882 CarbonylContact O-C 3.52Å; S494-A882 VanDerWaalsContact O-CA 3.28Å; S494-A882 WeakPolarHBondContact O-CA 3.49Å; A882-D888 HydrophobicContact CB-CB 3.59Å; A882-F891 HydrophobicContact CB-CB 3.99Å; A882-F891 PolarHBondContact N-O 3.19Å; A882-G892 CarbonylContact O-C 3.24Å; A882-G892 VanDerWaalsContact O-CA 3.27Å; A882-G892 WeakPolarHBondContact O-CA 3.21Å; A882-L893 PolarHBondContact O-N 3.07Å
883	L	93.9	Very high	92.6	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.016	12%	0.116	C	C	.	.	S	Bend	trans	-61.1	-53.9	177.8	-179.4	66.7	0	0	0	112.2	V493 S494 A495 I553 V556 F561 L893 Y894	V493-L883 HydrophobicContact CG1-CD1 3.99Å; V493-L883 HydrophobicContact CG2-CB 4.05Å; V493-L883 HydrophobicContact CG2-CD1 4.24Å; S494-L883 PolarHBondContact O-N 2.88Å; A495-L883 HydrophobicContact CB-CB 4.4Å; I553-L883 HydrophobicContact CD1-CD2 4.42Å; I553-L883 HydrophobicContact CG1-CD1 4.34Å; I553-L883 HydrophobicContact CG1-CD2 3.81Å; V556-L883 HydrophobicContact CG2-CD1 3.93Å; F561-L883 HydrophobicContact CE2-CB 4.45Å; F561-L883 HydrophobicContact CE2-CD2 3.86Å; F561-L883 HydrophobicContact CZ-CD2 4.13Å; L883-L893 PolarHBondContact O-N 2.92Å; L883-L893 VanDerWaalsContact O-N 3.08Å; L883-Y894 HydrophobicContact CD1-CD2 4.03Å; L883-Y894 HydrophobicContact CD1-CE2 4.04Å; L883-Y894 HydrophobicContact CG-CD2 4.46Å; L883-Y894 WeakPolarHBondContact O-CD2 3.26Å; L883-Y894 PolarHBondContact O-N 2.8Å
884	N	89.6	Confident	92.3	Very high	25 Å²	25	24.3 Å²	24.3	13%	0.134	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-142.4	156.2	-175	67.8	57.4	0	0	0	113.4	Q886 R887 D888 Y894	N884-Q886 VanDerWaalsContact C-N 3.31Å; N884-Q886 PolarHBondContact O-N 2.96Å; N884-Q886 WeakPolarHBondContact OD1-CB 3.28Å; N884-Q886 PolarHBondContact OD1-N 3.37Å; N884-R887 PolarHBondContact OD1-N 2.77Å; N884-D888 PolarHBondContact O-N 3.41Å; N884-Y894 WeakPolarHBondContact CA-O 3.47Å
885	D	87.6	Confident	91.7	Very high	21 Å²	21	23 Å²	23	11%	0.112	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-15.6	-179.9	-73.3	-27.5	0	0	0	114	R887 P889 G890 F891 G892 Y894 G895 K904	D885-R887 VanDerWaalsContact C-N 3.32Å; D885-R887 PolarHBondContact O-N 3.09Å; D885-P889 VanDerWaalsContact O-CA 3.26Å; D885-P889 WeakPolarHBondContact O-CA 3.45Å; D885-G890 WeakPolarHBondContact OD1-CA 3.14Å; D885-G890 PolarHBondContact OD1-N 2.7Å; D885-G890 VanDerWaalsContact OD1-N 3.1Å; D885-F891 PolarHBondContact OD1-N 3.38Å; D885-G892 WeakPolarHBondContact OD1-CA 3.47Å; D885-G892 PolarHBondContact OD1-N 2.86Å; D885-Y894 PolarHBondContact N-O 2.85Å; D885-G895 WeakPolarHBondContact OD2-CA 3.2Å; D885-K904 IonicContact OD1-NZ 3.28Å; D885-K904 PolarHBondContact OD1-NZ 3.17Å; D885-K904 VanDerWaalsContact OD1-NZ 3.09Å; D885-K904 WeakPolarHBondContact OD2-CE 3.37Å; D885-K904 IonicContact OD2-NZ 2.69Å; D885-K904 PolarHBondContact OD2-NZ 3.02Å
886	Q	83.8	Confident	90.7	Very high	89 Å²	89	26.9 Å²	26.9	42%	0.416	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-39.5	-176.6	-166.6	-176.3	16.8	0	0	111.7	N884 Q896	N884-Q886 VanDerWaalsContact C-N 3.31Å; N884-Q886 PolarHBondContact O-N 2.96Å; N884-Q886 WeakPolarHBondContact OD1-CB 3.28Å; N884-Q886 PolarHBondContact OD1-N 3.37Å; Q886-Q896 VanDerWaalsContact CB-OE1 3.26Å
887	R	81.3	Confident	89.4	Confident	110 Å²	110	26.8 Å²	26.8	42%	0.415	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-32.9	178.2	-65.4	-62.3	-176.3	-178.7	-2.7	112.6	N884 D885 P889	N884-R887 PolarHBondContact OD1-N 2.77Å; D885-R887 VanDerWaalsContact C-N 3.32Å; D885-R887 PolarHBondContact O-N 3.09Å; R887-P889 WeakPolarHBondContact O-CD 3.5Å
888	D	85.6	Confident	88.2	Confident	8 Å²	8	35.1 Å²	35.1	4%	0.043	17%	0.173	C	C	.	.	S	Bend	trans	-126.9	75.1	-175.3	-60.5	-58.2	0	0	0	110.2	N496 Y881 A882 N884 G890 F891	N496-D888 PolarHBondContact N-OD2 3.43Å; N496-D888 PolarHBondContact ND2-OD1 3.36Å; Y881-D888 PolarHBondContact OH-OD1 3.29Å; A882-D888 HydrophobicContact CB-CB 3.59Å; N884-D888 PolarHBondContact O-N 3.41Å; D888-G890 PolarHBondContact O-N 3.08Å; D888-F891 HydrophobicContact CB-CB 4.29Å; D888-F891 PolarHBondContact O-N 2.8Å
889	P	86.5	Confident	86.8	Confident	86 Å²	86	44 Å²	44	56%	0.558	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	124	-169.9	-28.4	35.5	0	0	0	114	D885 R887 F891	D885-P889 VanDerWaalsContact O-CA 3.26Å; D885-P889 WeakPolarHBondContact O-CA 3.45Å; R887-P889 WeakPolarHBondContact O-CD 3.5Å; P889-F891 VanDerWaalsContact C-N 3.29Å; P889-F891 PolarHBondContact O-N 3.14Å
890	G	87.4	Confident	85.8	Confident	1 Å²	1	51 Å²	51	1%	0.01	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	2.6	178.1	0	0	0	0	0	114.2	Q842 E843 R853 D885 D888	Q842-G890 CarbonylContact C-O 3.48Å; Q842-G890 VanDerWaalsContact CA-O 3.27Å; Q842-G890 WeakPolarHBondContact CA-O 3.34Å; E843-G890 PolarHBondContact N-O 3.21Å; E843-G890 WeakPolarHBondContact O-CA 3.22Å; R853-G890 PolarHBondContact NH2-O 3.23Å; D885-G890 WeakPolarHBondContact OD1-CA 3.14Å; D885-G890 PolarHBondContact OD1-N 2.7Å; D885-G890 VanDerWaalsContact OD1-N 3.1Å; D888-G890 PolarHBondContact O-N 3.08Å
891	F	90.6	Very high	85	Confident	45 Å²	45	54.2 Å²	54.2	20%	0.197	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-18.5	175	-73.5	-88.2	0	0	0	113.7	Q842 R853 Y881 A882 D885 D888 P889	Q842-F891 HydrophobicContact CB-CD1 4.39Å; Q842-F891 HydrophobicContact CB-CD2 4.37Å; Q842-F891 HydrophobicContact CB-CE1 3.92Å; Q842-F891 HydrophobicContact CB-CE2 3.89Å; Q842-F891 HydrophobicContact CB-CZ 3.65Å; Q842-F891 HydrophobicContact CG-CD2 4.18Å; Q842-F891 HydrophobicContact CG-CE2 3.84Å; Q842-F891 HydrophobicContact CG-CZ 4.14Å; R853-F891 PolarHBondContact NE-O 2.77Å; Y881-F891 HydrophobicContact CD1-CB 4.08Å; Y881-F891 AromaticContact CD1-CD1 3.62Å; Y881-F891 HydrophobicContact CD1-CD1 3.62Å; Y881-F891 HydrophobicContact CD1-CE1 4.23Å; Y881-F891 AromaticContact CD1-CG 3.96Å; Y881-F891 HydrophobicContact CD1-CG 3.96Å; Y881-F891 HydrophobicContact CE1-CB 3.9Å; Y881-F891 AromaticContact CE1-CD1 3.63Å; Y881-F891 HydrophobicContact CE1-CD1 3.63Å; Y881-F891 HydrophobicContact CE1-CD2 4.1Å; Y881-F891 HydrophobicContact CE1-CE1 4.11Å; Y881-F891 AromaticContact CE1-CG 3.61Å; Y881-F891 HydrophobicContact CE1-CG 3.61Å; A882-F891 HydrophobicContact CB-CB 3.99Å; A882-F891 PolarHBondContact N-O 3.19Å; D885-F891 PolarHBondContact OD1-N 3.38Å; D888-F891 HydrophobicContact CB-CB 4.29Å; D888-F891 PolarHBondContact O-N 2.8Å; P889-F891 VanDerWaalsContact C-N 3.29Å; P889-F891 PolarHBondContact O-N 3.14Å
892	G	91.5	Very high	84.5	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.276	C	S	.	.			trans	-63.4	143.7	-169.8	0	0	0	0	0	114.5	A882 D885 Y894 K904	A882-G892 CarbonylContact O-C 3.24Å; A882-G892 VanDerWaalsContact O-CA 3.27Å; A882-G892 WeakPolarHBondContact O-CA 3.21Å; D885-G892 WeakPolarHBondContact OD1-CA 3.47Å; D885-G892 PolarHBondContact OD1-N 2.86Å; G892-Y894 VanDerWaalsContact C-N 3.31Å; G892-K904 WeakPolarHBondContact O-CD 3.24Å; G892-K904 VanDerWaalsContact O-CE 3.31Å; G892-K904 WeakPolarHBondContact O-CE 3.35Å; G892-K904 PolarHBondContact O-NZ 2.81Å
893	L	92.5	Very high	84.2	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.01	30%	0.299	C	S	.	.	S	Bend	trans	-72.2	-29.1	162.8	-64.2	-179.8	0	0	0	111.7	V493 V556 L857 A882 L883 K904 S906 L907 Y910	V493-L893 HydrophobicContact CG2-CD1 4Å; V556-L893 HydrophobicContact CG1-CD1 3.97Å; L857-L893 HydrophobicContact CD1-CD2 4.16Å; A882-L893 PolarHBondContact O-N 3.07Å; L883-L893 PolarHBondContact O-N 2.92Å; L883-L893 VanDerWaalsContact O-N 3.08Å; L893-K904 VanDerWaalsContact O-CB 3.27Å; L893-K904 WeakPolarHBondContact O-CB 3.25Å; L893-K904 VanDerWaalsContact O-CG 3.28Å; L893-K904 WeakPolarHBondContact O-CG 3.14Å; L893-K904 PolarHBondContact O-N 3.14Å; L893-S906 WeakPolarHBondContact CD2-OG 3.38Å; L893-L907 HydrophobicContact CB-CB 4.19Å; L893-L907 HydrophobicContact CB-CD1 4.24Å; L893-L907 HydrophobicContact CB-CG 4.49Å; L893-Y910 HydrophobicContact CD1-CD1 4.07Å
894	Y	90.8	Very high	84.1	Confident	5 Å²	5	60.8 Å²	60.8	2%	0.02	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	132.4	166.2	-69.1	-83.8	0	0	0	110.2	E552 Q555 V556 L883 N884 D885 G892 V901 I902 V903 L907	E552-Y894 HydrophobicContact CB-CE2 4.26Å; E552-Y894 PolarHBondContact O-OH 3.31Å; E552-Y894 VanDerWaalsContact O-OH 3.13Å; Q555-Y894 WeakPolarHBondContact CB-OH 3.48Å; Q555-Y894 PolarHBondContact OE1-OH 3.23Å; V556-Y894 HydrophobicContact CG2-CE2 3.95Å; L883-Y894 HydrophobicContact CD1-CD2 4.03Å; L883-Y894 HydrophobicContact CD1-CE2 4.04Å; L883-Y894 HydrophobicContact CG-CD2 4.46Å; L883-Y894 WeakPolarHBondContact O-CD2 3.26Å; L883-Y894 PolarHBondContact O-N 2.8Å; N884-Y894 WeakPolarHBondContact CA-O 3.47Å; D885-Y894 PolarHBondContact N-O 2.85Å; G892-Y894 VanDerWaalsContact C-N 3.31Å; Y894-V901 HydrophobicContact CD1-CG1 3.58Å; Y894-V901 HydrophobicContact CE1-CG1 4.28Å; Y894-V901 HydrophobicContact CG-CG1 4.25Å; Y894-I902 WeakPolarHBondContact CA-O 3.4Å; Y894-V903 HydrophobicContact CD1-CG2 4.29Å; Y894-V903 HydrophobicContact CE1-CG2 3.88Å; Y894-L907 HydrophobicContact CD1-CD1 4.23Å; Y894-L907 HydrophobicContact CD2-CD1 3.88Å; Y894-L907 HydrophobicContact CE1-CD1 3.77Å; Y894-L907 HydrophobicContact CE2-CD1 3.33Å; Y894-L907 HydrophobicContact CG-CD1 4.3Å
895	G	85.4	Confident	84.2	Confident	7 Å²	7	62 Å²	62	7%	0.072	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	160.9	169.1	0	0	0	0	0	111.2	D885 I902 K904	D885-G895 WeakPolarHBondContact OD2-CA 3.2Å; G895-I902 PolarHBondContact N-O 3.33Å; G895-I902 PolarHBondContact O-N 3.01Å; G895-K904 VanDerWaalsContact CA-CE 3.48Å
896	Q	75.9	Confident	84.5	Confident	80 Å²	80	61 Å²	61	37%	0.374	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	125.3	172.6	-172	171.4	7.1	0	0	110	Q886 H898 E900	Q886-Q896 VanDerWaalsContact CB-OE1 3.26Å; Q896-H898 WeakPolarHBondContact CG-O 3.45Å; Q896-H898 PolarHBondContact NE2-O 3.27Å; Q896-E900 WeakPolarHBondContact CA-O 3.25Å
897	V	70.9	Confident	85	Confident	55 Å²	55	56.7 Å²	56.7	33%	0.333	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	112.2	172.5	176.6	0	0	0	0	106.8	F848 E899 E900 I902	F848-V897 HydrophobicContact CE1-CG2 3.75Å; F848-V897 HydrophobicContact CZ-CG2 3.8Å; V897-E899 PolarHBondContact O-N 2.81Å; V897-E900 PolarHBondContact N-O 3.03Å; V897-E900 VanDerWaalsContact N-O 3.15Å; V897-E900 PolarHBondContact O-N 3.26Å; V897-E900 VanDerWaalsContact O-N 3.14Å; V897-I902 HydrophobicContact CB-CD1 4.01Å; V897-I902 HydrophobicContact CG2-CD1 3.56Å
898	H	73.4	Confident	85.6	Confident	175 Å²	175	54.4 Å²	54.4	81%	0.81	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	-120.7	-168.3	-57.1	67.2	0	0	0	110.8	Q896	Q896-H898 WeakPolarHBondContact CG-O 3.45Å; Q896-H898 PolarHBondContact NE2-O 3.27Å
899	E	70.6	Confident	86.1	Confident	185 Å²	185	57.3 Å²	57.3	86%	0.864	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-1.5	178.2	-65.1	-175.5	173.4	0	0	113.3	V897	V897-E899 PolarHBondContact O-N 2.81Å
900	E	75.7	Confident	86.6	Confident	147 Å²	147	53.3 Å²	53.3	69%	0.687	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	131.2	-179	-68.4	-173.2	174.8	0	0	112.3	Q896 V897	Q896-E900 WeakPolarHBondContact CA-O 3.25Å; V897-E900 PolarHBondContact N-O 3.03Å; V897-E900 VanDerWaalsContact N-O 3.15Å; V897-E900 PolarHBondContact O-N 3.26Å; V897-E900 VanDerWaalsContact O-N 3.14Å
901	V	82.2	Confident	87	Confident	70 Å²	70	56.7 Å²	56.7	42%	0.424	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	121.2	173.6	178.9	0	0	0	0	109.3	Y894	Y894-V901 HydrophobicContact CD1-CG1 3.58Å; Y894-V901 HydrophobicContact CE1-CG1 4.28Å; Y894-V901 HydrophobicContact CG-CG1 4.25Å
902	I	85.1	Confident	87.2	Confident	60 Å²	60	58.3 Å²	58.3	31%	0.308	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	122.3	-179.3	-57.7	177.4	0	0	0	109.4	F848 Y894 G895 V897 K904	F848-I902 HydrophobicContact CE1-CD1 4.4Å; Y894-I902 WeakPolarHBondContact CA-O 3.4Å; G895-I902 PolarHBondContact N-O 3.33Å; G895-I902 PolarHBondContact O-N 3.01Å; V897-I902 HydrophobicContact CB-CD1 4.01Å; V897-I902 HydrophobicContact CG2-CD1 3.56Å; I902-K904 PolarHBondContact O-N 3.16Å
903	V	88.8	Confident	87.5	Confident	77 Å²	77	58.9 Å²	58.9	47%	0.467	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	117.3	170.4	-179.1	0	0	0	0	108.9	Y894 L907	Y894-V903 HydrophobicContact CD1-CG2 4.29Å; Y894-V903 HydrophobicContact CE1-CG2 3.88Å; V903-L907 HydrophobicContact CG1-CB 4.27Å; V903-L907 HydrophobicContact CG1-CD1 4.29Å; V903-L907 HydrophobicContact CG1-CD2 4.2Å; V903-L907 HydrophobicContact CG1-CG 4.49Å
904	K	90.9	Very high	87.6	Confident	29 Å²	29	59.8 Å²	59.8	13%	0.126	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-85.7	162.4	178.3	-48.6	-178.1	-176.3	170.8	0	112.2	D850 D885 G892 L893 G895 I902 S906 L907	D850-K904 HydrophobicContact CB-CB 4.19Å; D850-K904 WeakPolarHBondContact OD2-CB 3.26Å; D885-K904 IonicContact OD1-NZ 3.28Å; D885-K904 PolarHBondContact OD1-NZ 3.17Å; D885-K904 VanDerWaalsContact OD1-NZ 3.09Å; D885-K904 WeakPolarHBondContact OD2-CE 3.37Å; D885-K904 IonicContact OD2-NZ 2.69Å; D885-K904 PolarHBondContact OD2-NZ 3.02Å; G892-K904 WeakPolarHBondContact O-CD 3.24Å; G892-K904 VanDerWaalsContact O-CE 3.31Å; G892-K904 WeakPolarHBondContact O-CE 3.35Å; G892-K904 PolarHBondContact O-NZ 2.81Å; L893-K904 VanDerWaalsContact O-CB 3.27Å; L893-K904 WeakPolarHBondContact O-CB 3.25Å; L893-K904 VanDerWaalsContact O-CG 3.28Å; L893-K904 WeakPolarHBondContact O-CG 3.14Å; L893-K904 PolarHBondContact O-N 3.14Å; G895-K904 VanDerWaalsContact CA-CE 3.48Å; I902-K904 PolarHBondContact O-N 3.16Å; K904-S906 VanDerWaalsContact C-N 3.28Å; K904-S906 PolarHBondContact O-N 3.34Å; K904-L907 WeakPolarHBondContact O-CB 3.38Å; K904-L907 PolarHBondContact O-N 3.38Å
905	A	91.3	Very high	87.7	Confident	49 Å²	49	66.2 Å²	66.2	41%	0.405	34%	0.343	S	S	.	.	H	α-helix	trans	-64	-31.3	-177.2	0	0	0	0	0	113.2	D850 V854 L907 S908 N909	D850-A905 HydrophobicContact CB-CB 4.43Å; D850-A905 PolarHBondContact OD2-N 3.38Å; V854-A905 HydrophobicContact CG2-CB 4.14Å; A905-L907 VanDerWaalsContact C-N 3.27Å; A905-L907 PolarHBondContact O-N 3.47Å; A905-S908 PolarHBondContact O-N 3.15Å; A905-N909 PolarHBondContact O-N 3.01Å; A905-N909 PolarHBondContact O-ND2 3.28Å
906	S	93.4	Very high	88.1	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-62.4	-34.5	177.8	66.1	0	0	0	0	111.4	D850 R853 L893 K904 N909 Y910	D850-S906 WeakPolarHBondContact OD2-CA 3.41Å; D850-S906 WeakPolarHBondContact OD2-CB 3.4Å; D850-S906 PolarHBondContact OD2-N 3.02Å; D850-S906 PolarHBondContact OD2-OG 3.25Å; D850-S906 VanDerWaalsContact OD2-OG 3.05Å; R853-S906 VanDerWaalsContact CD-OG 3.32Å; R853-S906 WeakPolarHBondContact CD-OG 3.37Å; L893-S906 WeakPolarHBondContact CD2-OG 3.38Å; K904-S906 VanDerWaalsContact C-N 3.28Å; K904-S906 PolarHBondContact O-N 3.34Å; S906-N909 PolarHBondContact O-N 3.19Å; S906-Y910 WeakPolarHBondContact O-CB 3.41Å; S906-Y910 PolarHBondContact O-N 2.77Å
907	L	95	Very high	88.9	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-63	-49.4	175.5	-170.7	153.6	0	0	0	110.3	V556 L893 Y894 V903 K904 A905 N909 Y910 R911	V556-L907 HydrophobicContact CG2-CD1 4.15Å; L893-L907 HydrophobicContact CB-CB 4.19Å; L893-L907 HydrophobicContact CB-CD1 4.24Å; L893-L907 HydrophobicContact CB-CG 4.49Å; Y894-L907 HydrophobicContact CD1-CD1 4.23Å; Y894-L907 HydrophobicContact CD2-CD1 3.88Å; Y894-L907 HydrophobicContact CE1-CD1 3.77Å; Y894-L907 HydrophobicContact CE2-CD1 3.33Å; Y894-L907 HydrophobicContact CG-CD1 4.3Å; V903-L907 HydrophobicContact CG1-CB 4.27Å; V903-L907 HydrophobicContact CG1-CD1 4.29Å; V903-L907 HydrophobicContact CG1-CD2 4.2Å; V903-L907 HydrophobicContact CG1-CG 4.49Å; K904-L907 WeakPolarHBondContact O-CB 3.38Å; K904-L907 PolarHBondContact O-N 3.38Å; A905-L907 VanDerWaalsContact C-N 3.27Å; A905-L907 PolarHBondContact O-N 3.47Å; L907-N909 VanDerWaalsContact C-N 3.34Å; L907-N909 PolarHBondContact O-N 3.09Å; L907-Y910 PolarHBondContact O-N 3.13Å; L907-R911 WeakPolarHBondContact O-CB 3.39Å; L907-R911 PolarHBondContact O-N 2.96Å
908	S	94.3	Very high	90	Very high	62 Å²	62	64.8 Å²	64.8	43%	0.434	33%	0.332	S	S	.	.	H	α-helix	trans	-63.3	-41.1	179.3	-62	0	0	0	0	111.6	A905 N912	A905-S908 PolarHBondContact O-N 3.15Å; S908-N912 WeakPolarHBondContact O-CB 3.5Å; S908-N912 PolarHBondContact O-N 2.94Å
909	N	95.1	Very high	91	Very high	69 Å²	69	57.4 Å²	57.4	37%	0.369	30%	0.297	S	S	.	.	H	α-helix	trans	-65.4	-43.5	175.8	-80.9	-83.3	0	0	0	112.3	V854 A905 S906 L907 N912 I913	V854-N909 HydrophobicContact CG1-CB 4.33Å; V854-N909 HydrophobicContact CG2-CB 4.44Å; A905-N909 PolarHBondContact O-N 3.01Å; A905-N909 PolarHBondContact O-ND2 3.28Å; S906-N909 PolarHBondContact O-N 3.19Å; L907-N909 VanDerWaalsContact C-N 3.34Å; L907-N909 PolarHBondContact O-N 3.09Å; N909-N912 WeakPolarHBondContact O-CB 3.43Å; N909-N912 PolarHBondContact O-N 3.31Å; N909-I913 WeakPolarHBondContact O-CG1 3.1Å; N909-I913 PolarHBondContact O-N 3.26Å; N909-I913 VanDerWaalsContact O-N 3.09Å
910	Y	97.4	Very high	91.8	Very high	1 Å²	1	50.8 Å²	50.8	0%	0.004	27%	0.27	C	S	.	.	H	α-helix	trans	-65.9	-44.7	178.7	-173.9	-135.9	0	0	0	111.4	W491 G492 V556 V558 I861 Y878 A880 L893 S906 L907 N912 I913 I914	W491-Y910 AromaticContact CE3-CE2 3.9Å; W491-Y910 HydrophobicContact CE3-CE2 3.9Å; W491-Y910 AromaticContact CZ3-CE2 3.96Å; W491-Y910 HydrophobicContact CZ3-CE2 3.96Å; G492-Y910 WeakPolarHBondContact O-CE1 3.11Å; G492-Y910 PolarHBondContact O-OH 3.19Å; V556-Y910 HydrophobicContact CG1-CD1 3.97Å; V556-Y910 HydrophobicContact CG1-CE1 4.34Å; V558-Y910 HydrophobicContact CG1-CE1 4.06Å; I861-Y910 HydrophobicContact CD1-CD2 3.81Å; I861-Y910 HydrophobicContact CD1-CE2 3.75Å; Y878-Y910 HydrophobicContact CD1-CE2 4.25Å; Y878-Y910 HydrophobicContact CE1-CE2 4.31Å; Y878-Y910 PolarHBondContact O-OH 2.85Å; A880-Y910 HydrophobicContact CB-CD1 4.03Å; A880-Y910 HydrophobicContact CB-CE1 3.56Å; A880-Y910 HydrophobicContact CB-CE2 4.4Å; L893-Y910 HydrophobicContact CD1-CD1 4.07Å; S906-Y910 WeakPolarHBondContact O-CB 3.41Å; S906-Y910 PolarHBondContact O-N 2.77Å; L907-Y910 PolarHBondContact O-N 3.13Å; Y910-N912 VanDerWaalsContact C-N 3.25Å; Y910-N912 PolarHBondContact O-N 2.71Å; Y910-I913 PolarHBondContact O-N 3.34Å; Y910-I913 VanDerWaalsContact O-N 3.09Å; Y910-I914 HydrophobicContact CD1-CD1 3.92Å; Y910-I914 HydrophobicContact CD2-CD1 4.36Å; Y910-I914 HydrophobicContact CD2-CG1 4.39Å; Y910-I914 HydrophobicContact CE1-CD1 3.76Å; Y910-I914 HydrophobicContact CE2-CD1 4.2Å; Y910-I914 HydrophobicContact CE2-CG1 4.18Å; Y910-I914 HydrophobicContact CG-CD1 4.22Å; Y910-I914 WeakPolarHBondContact O-CG1 3.4Å; Y910-I914 PolarHBondContact O-N 3.1Å
911	R	96.4	Very high	92.2	Very high	73 Å²	73	48.5 Å²	48.5	28%	0.275	26%	0.262	S	S	.	.	H	α-helix	trans	-55	-42.6	172.8	-172.3	-169.4	-65.2	156.6	-1.2	111.5	Q555 V556 L907 I914 Q915	Q555-R911 PolarHBondContact O-NE 3.24Å; Q555-R911 PolarHBondContact O-NH2 3Å; V556-R911 WeakPolarHBondContact O-CB 3.43Å; V556-R911 WeakPolarHBondContact O-CG 3.3Å; L907-R911 WeakPolarHBondContact O-CB 3.39Å; L907-R911 PolarHBondContact O-N 2.96Å; R911-I914 PolarHBondContact O-N 3.41Å; R911-Q915 WeakPolarHBondContact O-CG 3.08Å; R911-Q915 PolarHBondContact O-N 2.73Å
912	N	95.5	Very high	92	Very high	79 Å²	79	50.4 Å²	50.4	42%	0.422	28%	0.276	S	S	.	.	H	α-helix	trans	-62.5	-41.7	177.6	-174.8	48	0	0	0	112.3	S908 N909 Y910 I914 Q915 H916	S908-N912 WeakPolarHBondContact O-CB 3.5Å; S908-N912 PolarHBondContact O-N 2.94Å; N909-N912 WeakPolarHBondContact O-CB 3.43Å; N909-N912 PolarHBondContact O-N 3.31Å; Y910-N912 VanDerWaalsContact C-N 3.25Å; Y910-N912 PolarHBondContact O-N 2.71Å; N912-I914 VanDerWaalsContact C-N 3.35Å; N912-Q915 PolarHBondContact O-N 2.9Å; N912-H916 PolarHBondContact O-N 3.3Å; N912-H916 PolarHBondContact O-ND1 3.39Å; N912-H916 PolarHBondContact OD1-CE1 3.25Å; N912-H916 PolarHBondContact OD1-ND1 3.23Å
913	I	95.9	Very high	91.3	Very high	11 Å²	11	51.8 Å²	51.8	6%	0.056	31%	0.305	C	S	.	.	H	α-helix	trans	-62.7	-42.7	175.1	-65.4	167.4	0	0	0	110.8	W491 I861 N909 Y910 H916 N917 G918 F919	W491-I913 HydrophobicContact CH2-CG2 3.74Å; W491-I913 HydrophobicContact CZ2-CG2 4.35Å; W491-I913 HydrophobicContact CZ3-CG2 4.22Å; I861-I913 HydrophobicContact CD1-CD1 4.01Å; I861-I913 HydrophobicContact CD1-CG2 4.43Å; I861-I913 HydrophobicContact CG2-CG2 4.14Å; N909-I913 WeakPolarHBondContact O-CG1 3.1Å; N909-I913 PolarHBondContact O-N 3.26Å; N909-I913 VanDerWaalsContact O-N 3.09Å; Y910-I913 PolarHBondContact O-N 3.34Å; Y910-I913 VanDerWaalsContact O-N 3.09Å; I913-H916 CarbonylContact O-C 3.33Å; I913-H916 PolarHBondContact O-N 2.9Å; I913-N917 PolarHBondContact O-N 3.11Å; I913-G918 PolarHBondContact O-N 3.21Å; I913-F919 HydrophobicContact CD1-CE1 4.06Å; I913-F919 HydrophobicContact CD1-CZ 4.07Å; I913-F919 HydrophobicContact CG1-CE1 4.09Å; I913-F919 HydrophobicContact CG1-CZ 4.39Å; I913-F919 HydrophobicContact CG2-CZ 4.43Å
914	I	95.8	Very high	90.4	Very high	21 Å²	21	50.9 Å²	50.9	11%	0.108	31%	0.305	C	S	.	.	H	α-helix	trans	-63.2	-46.7	178.7	-62.5	165.6	0	0	0	111.2	W491 G557 V558 Y910 R911 N912 H916 N917	W491-I914 HydrophobicContact CB-CD1 4.22Å; W491-I914 HydrophobicContact CB-CG1 3.93Å; W491-I914 HydrophobicContact CB-CG2 3.91Å; W491-I914 HydrophobicContact CD2-CB 4.4Å; W491-I914 HydrophobicContact CD2-CG1 3.78Å; W491-I914 HydrophobicContact CD2-CG2 4.42Å; W491-I914 HydrophobicContact CE3-CG1 3.85Å; W491-I914 HydrophobicContact CG-CB 4.26Å; W491-I914 HydrophobicContact CG-CG1 3.84Å; W491-I914 HydrophobicContact CG-CG2 3.79Å; G557-I914 WeakPolarHBondContact O-CG2 3.18Å; V558-I914 HydrophobicContact CG1-CD1 3.84Å; Y910-I914 HydrophobicContact CD1-CD1 3.92Å; Y910-I914 HydrophobicContact CD2-CD1 4.36Å; Y910-I914 HydrophobicContact CD2-CG1 4.39Å; Y910-I914 HydrophobicContact CE1-CD1 3.76Å; Y910-I914 HydrophobicContact CE2-CD1 4.2Å; Y910-I914 HydrophobicContact CE2-CG1 4.18Å; Y910-I914 HydrophobicContact CG-CD1 4.22Å; Y910-I914 WeakPolarHBondContact O-CG1 3.4Å; Y910-I914 PolarHBondContact O-N 3.1Å; R911-I914 PolarHBondContact O-N 3.41Å; N912-I914 VanDerWaalsContact C-N 3.35Å; I914-H916 PolarHBondContact O-N 3.36Å; I914-N917 PolarHBondContact O-N 3.21Å
915	Q	93.2	Very high	89.1	Confident	140 Å²	140	54.5 Å²	54.5	65%	0.654	34%	0.335	S	S	*	.	H	α-helix	trans	-59.3	-32.8	179.6	-76.1	176.6	-15.9	0	0	112.9	R911 N912	R911-Q915 WeakPolarHBondContact O-CG 3.08Å; R911-Q915 PolarHBondContact O-N 2.73Å; N912-Q915 PolarHBondContact O-N 2.9Å
916	H	92.5	Very high	88	Confident	89 Å²	89	57.9 Å²	57.9	41%	0.412	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	1	177.3	-68	93.2	0	0	0	113.6	N912 I913 I914 G918 P920	N912-H916 PolarHBondContact O-N 3.3Å; N912-H916 PolarHBondContact O-ND1 3.39Å; N912-H916 PolarHBondContact OD1-CE1 3.25Å; N912-H916 PolarHBondContact OD1-ND1 3.23Å; I913-H916 CarbonylContact O-C 3.33Å; I913-H916 PolarHBondContact O-N 2.9Å; I914-H916 PolarHBondContact O-N 3.36Å; H916-G918 PolarHBondContact O-N 2.63Å; H916-P920 HydrophobicContact CB-CG 3.89Å
917	N	93.8	Very high	86.8	Confident	21 Å²	21	61.1 Å²	61.1	11%	0.112	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	38.8	-174.9	-161.6	28.9	0	0	0	113.6	M484 F485 P486 W491 I913 I914 Q927	M484-N917 CarbonylContact C-O 3.52Å; M484-N917 VanDerWaalsContact CA-O 3.26Å; M484-N917 WeakPolarHBondContact CA-O 3.27Å; F485-N917 PolarHBondContact N-O 3.09Å; F485-N917 PolarHBondContact O-ND2 3.26Å; P486-N917 PolarHBondContact O-ND2 2.6Å; P486-N917 VanDerWaalsContact O-ND2 3.07Å; W491-N917 PolarHBondContact NE1-OD1 3.31Å; I913-N917 PolarHBondContact O-N 3.11Å; I914-N917 PolarHBondContact O-N 3.21Å; N917-Q927 PolarHBondContact ND2-OE1 3.19Å; N917-Q927 VanDerWaalsContact ND2-OE1 3.15Å
918	G	93.6	Very high	85.4	Confident	3 Å²	3	70.3 Å²	70.3	3%	0.031	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	127.9	-138	-176.1	0	0	0	0	0	113.4	I913 H916 P920	I913-G918 PolarHBondContact O-N 3.21Å; H916-G918 PolarHBondContact O-N 2.63Å; G918-P920 WeakPolarHBondContact O-CD 3.36Å
919	F	94.8	Very high	84.1	Confident	19 Å²	19	70 Å²	70	8%	0.083	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	72.5	-173.5	-55.9	-81.6	0	0	0	110.2	Q482 G483 Y858 I861 N862 L865 I913	Q482-F919 CarbonylContact C-O 3.48Å; Q482-F919 VanDerWaalsContact CA-O 3.26Å; Q482-F919 WeakPolarHBondContact CA-O 3.33Å; G483-F919 PolarHBondContact N-O 2.93Å; G483-F919 CarbonylContact O-C 3.52Å; G483-F919 VanDerWaalsContact O-C 3.24Å; G483-F919 PolarHBondContact O-N 2.91Å; Y858-F919 HydrophobicContact CD2-CD1 4.4Å; Y858-F919 AromaticContact CD2-CE1 3.56Å; Y858-F919 HydrophobicContact CD2-CE1 3.56Å; Y858-F919 HydrophobicContact CD2-CZ 4.33Å; Y858-F919 AromaticContact CE2-CD1 3.78Å; Y858-F919 HydrophobicContact CE2-CD1 3.78Å; Y858-F919 AromaticContact CE2-CE1 3.38Å; Y858-F919 HydrophobicContact CE2-CE1 3.38Å; Y858-F919 HydrophobicContact CE2-CZ 4.42Å; Y858-F919 HydrophobicContact CG-CE1 4.27Å; Y858-F919 AromaticContact CZ-CE1 3.96Å; Y858-F919 WeakPolarHBondContact O-CZ 3.44Å; I861-F919 HydrophobicContact CB-CE2 4.25Å; I861-F919 HydrophobicContact CB-CZ 4.18Å; I861-F919 HydrophobicContact CG2-CE2 3.84Å; I861-F919 HydrophobicContact CG2-CZ 4.11Å; N862-F919 HydrophobicContact CB-CD2 4.34Å; N862-F919 HydrophobicContact CB-CE2 3.77Å; N862-F919 HydrophobicContact CB-CZ 4.07Å; N862-F919 VanDerWaalsContact ND2-CD2 3.28Å; N862-F919 WeakPolarHBondContact ND2-CD2 3.46Å; L865-F919 HydrophobicContact CD2-CB 4.41Å; L865-F919 HydrophobicContact CD2-CD2 3.78Å; I913-F919 HydrophobicContact CD1-CE1 4.06Å; I913-F919 HydrophobicContact CD1-CZ 4.07Å; I913-F919 HydrophobicContact CG1-CE1 4.09Å; I913-F919 HydrophobicContact CG1-CZ 4.39Å; I913-F919 HydrophobicContact CG2-CZ 4.43Å
920	P	88	Confident	82.3	Confident	46 Å²	46	72.2 Å²	72.2	30%	0.299	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-64.6	156.4	-173.3	28.4	-36.7	0	0	0	112.5	M484 H916 G918	M484-P920 HydrophobicContact CG-CB 4.28Å; M484-P920 HydrophobicContact SD-CB 4.3Å; H916-P920 HydrophobicContact CB-CG 3.89Å; G918-P920 WeakPolarHBondContact O-CD 3.36Å
921	I	83.1	Confident	80.2	Confident	99 Å²	99	76.6 Å²	76.6	51%	0.508	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-69.5	131.3	174.3	-55.1	172.6	0	0	0	108.5	Q482 G923 A924	Q482-I921 HydrophobicContact CB-CG1 3.95Å; I921-G923 PolarHBondContact O-N 2.99Å; I921-A924 HydrophobicContact CB-CB 4.21Å; I921-A924 WeakPolarHBondContact O-CB 3.43Å; I921-A924 PolarHBondContact O-N 2.79Å; I921-A924 VanDerWaalsContact O-N 3.1Å
922	P	77.4	Confident	77.9	Confident	110 Å²	110	81 Å²	81	71%	0.714	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	126.3	177.3	-25.2	33.9	0	0	0	112.1
923	G	70.2	Confident	75.2	Confident	89 Å²	89	83 Å²	83	92%	0.918	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	-0.8	180	0	0	0	0	0	115.7	I921	I921-G923 PolarHBondContact O-N 2.99Å
924	A	70.9	Confident	72.5	Confident	58 Å²	58	91 Å²	91	48%	0.479	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-69.4	145.8	171.9	0	0	0	0	0	111.5	I921	I921-A924 HydrophobicContact CB-CB 4.21Å; I921-A924 WeakPolarHBondContact O-CB 3.43Å; I921-A924 PolarHBondContact O-N 2.79Å; I921-A924 VanDerWaalsContact O-N 3.1Å
925	S	64.5	Low	69.9	Low	106 Å²	106	95.3 Å²	95.3	74%	0.741	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-62.6	142.6	174.7	-52.3	0	0	0	0	110.8	Q927	S925-Q927 PolarHBondContact O-N 3.04Å
926	P	66.8	Low	67.6	Low	119 Å²	119	91.6 Å²	91.6	77%	0.773	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-54.5	139.4	177	-23.3	31.9	0	0	0	111.5	Q928	P926-Q928 PolarHBondContact O-N 3.39Å; P926-Q928 VanDerWaalsContact O-N 3.12Å
927	Q	69.1	Low	65.6	Low	69 Å²	69	93.3 Å²	93.3	32%	0.322	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-57.7	118.6	174.3	-168.7	176	13.6	0	0	109.4	M484 C487 N917 S925 C929	M484-Q927 HydrophobicContact CE-CB 3.8Å; M484-Q927 HydrophobicContact CE-CG 4.15Å; M484-Q927 HydrophobicContact SD-CB 3.76Å; C487-Q927 PolarHBondContact SG-NE2 3.31Å; N917-Q927 PolarHBondContact ND2-OE1 3.19Å; N917-Q927 VanDerWaalsContact ND2-OE1 3.15Å; S925-Q927 PolarHBondContact O-N 3.04Å; Q927-C929 VanDerWaalsContact C-N 3.28Å; Q927-C929 PolarHBondContact O-N 3.12Å
928	Q	64.4	Low	63.4	Low	192 Å²	192	94.2 Å²	94.2	90%	0.897	60%	0.596	S	S	*	*			trans	-76.9	84.5	172.3	-72.9	-178.3	-7.9	0	0	108.8	P926	P926-Q928 PolarHBondContact O-N 3.39Å; P926-Q928 VanDerWaalsContact O-N 3.12Å
929	C	66.8	Low	61.5	Low	57 Å²	57	96.9 Å²	96.9	39%	0.385	61%	0.613	S	S	.	*	P	Polyproline II helix	trans	-74.5	123.1	170.3	-69.7	0	0	0	0	109.2	C487 Q927 A931	C487-C929 VanDerWaalsContact CA-SG 3.6Å; C487-C929 HydrophobicContact CB-CB 3.63Å; C487-C929 WeakPolarHBondContact CB-SG 3.47Å; C487-C929 WeakPolarHBondContact SG-CA 3.48Å; C487-C929 WeakPolarHBondContact SG-CB 3.37Å; C487-C929 CovalentContact SG-SG 2.04Å; C487-C929 PolarHBondContact SG-SG 3.16Å; Q927-C929 VanDerWaalsContact C-N 3.28Å; Q927-C929 PolarHBondContact O-N 3.12Å; C929-A931 PolarHBondContact O-N 3.19Å
930	P	59.3	Low	59.5	Low	115 Å²	115	102.3 Å²	102.3	75%	0.747	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-58.9	130.3	176	22.4	-30.1	0	0	0	108.7	L932	P930-L932 PolarHBondContact O-N 3.18Å
931	A	52.1	Low	57.6	Low	93 Å²	93	104.5 Å²	104.5	77%	0.769	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-55.4	132.8	172.9	0	0	0	0	0	108.7	C929	C929-A931 PolarHBondContact O-N 3.19Å
932	L	47.6	Very low	56	Low	165 Å²	165	104.1 Å²	104.1	86%	0.864	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-46.5	126.7	171.5	-94.1	143.5	0	0	0	108.5	P930 Q934	P930-L932 PolarHBondContact O-N 3.18Å; L932-Q934 PolarHBondContact O-N 3.43Å
933	P	39.4	Very low	54.7	Low	121 Å²	121	105.4 Å²	105.4	79%	0.786	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-56.4	117.9	-176.8	11.9	-20.8	0	0	0	109.2
934	Q	39	Very low	53.6	Low	179 Å²	179	111.7 Å²	111.7	84%	0.836	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-58.8	134.5	174.5	-77.2	-167.1	-16	0	0	108.5	L932 C936	L932-Q934 PolarHBondContact O-N 3.43Å; Q934-C936 PolarHBondContact O-N 2.86Å
935	P	40.7	Very low	52.5	Low	112 Å²	112	117.3 Å²	117.3	73%	0.727	65%	0.654	S	S	*	*			trans	-62.8	104.8	174.8	23.9	-30.5	0	0	0	108.6	P937	P935-P937 WeakPolarHBondContact O-CD 3.31Å
936	C	46.6	Very low	52	Low	62 Å²	62	116.6 Å²	116.6	42%	0.419	65%	0.647	S	S	.	*			trans	-63.6	116.1	173.9	169.9	0	0	0	0	108.8	Q934 G938 C939	Q934-C936 PolarHBondContact O-N 2.86Å; C936-G938 PolarHBondContact O-N 3.02Å; C936-G938 VanDerWaalsContact O-N 3.08Å; C936-G938 PolarHBondContact SG-N 3.09Å; C936-C939 HydrophobicContact CB-CB 3.95Å; C936-C939 PolarHBondContact O-N 2.85Å; C936-C939 PolarHBondContact SG-N 3.14Å; C936-C939 VanDerWaalsContact SG-N 3.42Å; C936-C939 PolarHBondContact SG-SG 2.78Å
937	P	50.7	Low	51.9	Low	125 Å²	125	115.8 Å²	115.8	81%	0.812	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-21.9	-178.4	-22	33.2	0	0	0	113.3	P935	P935-P937 WeakPolarHBondContact O-CD 3.31Å
938	G	45.8	Very low	51.7	Low	39 Å²	39	115.7 Å²	115.7	40%	0.402	64%	0.643	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92	-20	-179.3	0	0	0	0	0	115.6	C936 H940 V941	C936-G938 PolarHBondContact O-N 3.02Å; C936-G938 VanDerWaalsContact O-N 3.08Å; C936-G938 PolarHBondContact SG-N 3.09Å; G938-H940 VanDerWaalsContact C-N 3.26Å; G938-H940 PolarHBondContact O-N 3.08Å; G938-V941 PolarHBondContact O-N 3.34Å
939	C	55.6	Low	51.6	Low	59 Å²	59	106.7 Å²	106.7	40%	0.399	60%	0.602	S	S	.	*	H	α-helix	trans	-70.2	-23.2	-176.9	-78.7	0	0	0	0	112.9	C936 V941 L942 I943	C936-C939 HydrophobicContact CB-CB 3.95Å; C936-C939 PolarHBondContact O-N 2.85Å; C936-C939 PolarHBondContact SG-N 3.14Å; C936-C939 VanDerWaalsContact SG-N 3.42Å; C936-C939 PolarHBondContact SG-SG 2.78Å; C939-V941 VanDerWaalsContact C-N 3.25Å; C939-V941 PolarHBondContact O-N 2.8Å; C939-L942 PolarHBondContact O-N 3.1Å; C939-I943 WeakPolarHBondContact O-CG1 3.41Å; C939-I943 PolarHBondContact O-N 2.88Å
940	H	50.9	Low	51.8	Low	133 Å²	133	110.8 Å²	110.8	62%	0.616	61%	0.614	S	S	*	*	H	α-helix	trans	-65.5	-24.7	176.8	-85.2	-67.2	0	0	0	114	G938 R944	G938-H940 VanDerWaalsContact C-N 3.26Å; G938-H940 PolarHBondContact O-N 3.08Å; H940-R944 PolarHBondContact O-N 2.88Å
941	V	48.2	Very low	52.3	Low	93 Å²	93	110.6 Å²	110.6	56%	0.564	61%	0.606	S	S	*	*	H	α-helix	trans	-78.5	-39	178.3	180	0	0	0	0	111.2	G938 C939 R945	G938-V941 PolarHBondContact O-N 3.34Å; C939-V941 VanDerWaalsContact C-N 3.25Å; C939-V941 PolarHBondContact O-N 2.8Å; V941-R945 PolarHBondContact O-N 2.86Å
942	L	50.5	Low	53.2	Low	90 Å²	90	110.3 Å²	110.3	47%	0.471	60%	0.595	S	S	.	*	H	α-helix	trans	-68.4	-35.6	178.5	-85.3	148	0	0	0	112.8	C939	C939-L942 PolarHBondContact O-N 3.1Å
943	I	50.3	Low	54.4	Low	137 Å²	137	108 Å²	108	70%	0.703	58%	0.583	S	S	*	*	H	α-helix	trans	-79.1	-29.6	-177.8	-63.8	168.1	0	0	0	112.2	C939	C939-I943 WeakPolarHBondContact O-CG1 3.41Å; C939-I943 PolarHBondContact O-N 2.88Å
944	R	46.3	Very low	56.2	Low	222 Å²	222	105.5 Å²	105.5	84%	0.838	57%	0.565	S	S	*	*	H	α-helix	trans	-88.7	-22.3	179.7	-87.4	-171.4	171.7	-179.6	-1.4	114.8	H940	H940-R944 PolarHBondContact O-N 2.88Å
945	R	48.8	Very low	57.9	Low	176 Å²	176	98.4 Å²	98.4	66%	0.664	54%	0.54	S	S	*	.			trans	-142	77	179.7	-67.8	-168.2	178.6	-169.1	0.5	110.9	V941 V947 V948 G949	V941-R945 PolarHBondContact O-N 2.86Å; R945-V947 PolarHBondContact O-N 2.74Å; R945-V947 VanDerWaalsContact O-N 3.12Å; R945-V948 HydrophobicContact CB-CB 4.14Å; R945-V948 HydrophobicContact CB-CG2 3.97Å; R945-V948 PolarHBondContact O-N 3.09Å; R945-G949 PolarHBondContact O-N 2.74Å
946	P	53.6	Low	59.6	Low	91 Å²	91	95.7 Å²	95.7	59%	0.591	52%	0.524	S	S	*	.	H	α-helix	trans	-58.7	-30.2	-175.3	21.1	-31.8	0	0	0	113.1	G949 F950	P946-G949 PolarHBondContact O-N 2.76Å; P946-F950 WeakPolarHBondContact O-CB 3.41Å; P946-F950 PolarHBondContact O-N 2.93Å
947	V	64.1	Low	61.1	Low	101 Å²	101	94.4 Å²	94.4	61%	0.612	52%	0.521	S	S	*	.	H	α-helix	trans	-67.3	-38.7	177.7	-177.7	0	0	0	0	112.3	R945 F950 L951	R945-V947 PolarHBondContact O-N 2.74Å; R945-V947 VanDerWaalsContact O-N 3.12Å; V947-F950 PolarHBondContact O-N 2.81Å; V947-L951 HydrophobicContact CG1-CD1 4.01Å; V947-L951 WeakPolarHBondContact O-CB 3.43Å; V947-L951 VanDerWaalsContact O-CG 3.25Å; V947-L951 WeakPolarHBondContact O-CG 3.43Å; V947-L951 PolarHBondContact O-N 2.73Å
948	V	65.3	Low	62.5	Low	67 Å²	67	92 Å²	92	41%	0.406	50%	0.504	S	S	.	.	H	α-helix	trans	-71.9	-39	179	179.8	0	0	0	0	110.3	R945 L951 T952	R945-V948 HydrophobicContact CB-CB 4.14Å; R945-V948 HydrophobicContact CB-CG2 3.97Å; R945-V948 PolarHBondContact O-N 3.09Å; V948-L951 PolarHBondContact O-N 2.75Å; V948-T952 WeakPolarHBondContact O-CG2 3.24Å; V948-T952 PolarHBondContact O-N 3.43Å; V948-T952 PolarHBondContact O-OG1 3.33Å; V948-T952 VanDerWaalsContact O-OG1 3.05Å
949	G	62.4	Low	64.2	Low	4 Å²	4	96 Å²	96	4%	0.041	52%	0.516	C	S	.	.	H	α-helix	trans	-65.2	-38.1	174	0	0	0	0	0	113.7	R945 P946 T952 L953	R945-G949 PolarHBondContact O-N 2.74Å; P946-G949 PolarHBondContact O-N 2.76Å; G949-T952 WeakPolarHBondContact CA-OG1 3.44Å; G949-T952 PolarHBondContact O-OG1 3.32Å; G949-L953 WeakPolarHBondContact O-CB 3.09Å; G949-L953 PolarHBondContact O-N 3.29Å; G949-L953 VanDerWaalsContact O-N 3.12Å
950	F	70.2	Confident	65.4	Low	142 Å²	142	98.4 Å²	98.4	62%	0.623	52%	0.523	S	S	*	.	H	α-helix	trans	-66.8	-43.8	173.6	-173.6	-99.4	0	0	0	111.5	P946 V947 T952 L953 V954	P946-F950 WeakPolarHBondContact O-CB 3.41Å; P946-F950 PolarHBondContact O-N 2.93Å; V947-F950 PolarHBondContact O-N 2.81Å; F950-T952 PolarHBondContact O-N 3.05Å; F950-L953 PolarHBondContact O-N 3.17Å; F950-V954 HydrophobicContact CD1-CG2 4.06Å; F950-V954 HydrophobicContact CE1-CG2 3.75Å; F950-V954 HydrophobicContact CE2-CG2 4.3Å; F950-V954 HydrophobicContact CG-CG2 4.48Å; F950-V954 HydrophobicContact CZ-CG2 3.88Å; F950-V954 WeakPolarHBondContact O-CB 3.24Å; F950-V954 VanDerWaalsContact O-CG2 3.27Å; F950-V954 WeakPolarHBondContact O-CG2 3.28Å; F950-V954 PolarHBondContact O-N 2.99Å
951	L	71.3	Confident	66.7	Low	112 Å²	112	95.6 Å²	95.6	59%	0.586	52%	0.515	S	S	*	.	H	α-helix	trans	-66	-35.4	178.4	-74.1	167.9	0	0	0	113.1	V947 V948 G955	V947-L951 HydrophobicContact CG1-CD1 4.01Å; V947-L951 WeakPolarHBondContact O-CB 3.43Å; V947-L951 VanDerWaalsContact O-CG 3.25Å; V947-L951 WeakPolarHBondContact O-CG 3.43Å; V947-L951 PolarHBondContact O-N 2.73Å; V948-L951 PolarHBondContact O-N 2.75Å; L951-G955 PolarHBondContact O-N 3.08Å
952	T	70.3	Confident	68.2	Low	87 Å²	87	95.3 Å²	95.3	53%	0.534	51%	0.51	S	S	.	.	H	α-helix	trans	-72.4	-37.5	175.2	49.6	0	0	0	0	112.3	V948 G949 F950 S956	V948-T952 WeakPolarHBondContact O-CG2 3.24Å; V948-T952 PolarHBondContact O-N 3.43Å; V948-T952 PolarHBondContact O-OG1 3.33Å; V948-T952 VanDerWaalsContact O-OG1 3.05Å; G949-T952 WeakPolarHBondContact CA-OG1 3.44Å; G949-T952 PolarHBondContact O-OG1 3.32Å; F950-T952 PolarHBondContact O-N 3.05Å; T952-S956 WeakPolarHBondContact O-CB 3.32Å; T952-S956 PolarHBondContact O-N 3.21Å; T952-S956 PolarHBondContact O-OG 3.34Å
953	L	71.7	Confident	69.6	Low	116 Å²	116	92.8 Å²	92.8	61%	0.607	51%	0.506	S	S	*	.	H	α-helix	trans	-66.2	-43.2	173.5	-94.9	153.9	0	0	0	112.3	G949 F950 S956 G957	G949-L953 WeakPolarHBondContact O-CB 3.09Å; G949-L953 PolarHBondContact O-N 3.29Å; G949-L953 VanDerWaalsContact O-N 3.12Å; F950-L953 PolarHBondContact O-N 3.17Å; L953-S956 WeakPolarHBondContact CA-OG 3.34Å; L953-S956 PolarHBondContact O-OG 3.11Å; L953-G957 PolarHBondContact O-N 2.78Å
954	V	77.3	Confident	70.9	Confident	68 Å²	68	90.5 Å²	90.5	41%	0.412	50%	0.495	S	S	.	.	H	α-helix	trans	-67.2	-43.9	175.1	173.5	0	0	0	0	110.6	F950 S956 G957 V958	F950-V954 HydrophobicContact CD1-CG2 4.06Å; F950-V954 HydrophobicContact CE1-CG2 3.75Å; F950-V954 HydrophobicContact CE2-CG2 4.3Å; F950-V954 HydrophobicContact CG-CG2 4.48Å; F950-V954 HydrophobicContact CZ-CG2 3.88Å; F950-V954 WeakPolarHBondContact O-CB 3.24Å; F950-V954 VanDerWaalsContact O-CG2 3.27Å; F950-V954 WeakPolarHBondContact O-CG2 3.28Å; F950-V954 PolarHBondContact O-N 2.99Å; V954-S956 PolarHBondContact O-N 2.83Å; V954-G957 PolarHBondContact O-N 2.9Å; V954-V958 HydrophobicContact CG1-CG2 4.39Å; V954-V958 VanDerWaalsContact O-CG2 3.29Å; V954-V958 WeakPolarHBondContact O-CG2 3.25Å; V954-V958 PolarHBondContact O-N 3.44Å
955	G	74.6	Confident	72.4	Confident	31 Å²	31	85 Å²	85	32%	0.32	48%	0.481	S	S	.	.	H	α-helix	trans	-62.4	-41	178	0	0	0	0	0	113.3	L951 V958 L959	L951-G955 PolarHBondContact O-N 3.08Å; G955-V958 PolarHBondContact O-N 3.48Å; G955-L959 WeakPolarHBondContact O-CG 3.35Å; G955-L959 PolarHBondContact O-N 3.07Å
956	S	77.4	Confident	73.7	Confident	54 Å²	54	81.1 Å²	81.1	38%	0.378	47%	0.472	S	S	.	.	H	α-helix	trans	-70.2	-37.3	174.7	45.4	0	0	0	0	112.3	T952 L953 V954 V958 L959 I960	T952-S956 WeakPolarHBondContact O-CB 3.32Å; T952-S956 PolarHBondContact O-N 3.21Å; T952-S956 PolarHBondContact O-OG 3.34Å; L953-S956 WeakPolarHBondContact CA-OG 3.34Å; L953-S956 PolarHBondContact O-OG 3.11Å; V954-S956 PolarHBondContact O-N 2.83Å; S956-V958 PolarHBondContact O-N 3.01Å; S956-L959 PolarHBondContact O-N 3.27Å; S956-I960 WeakPolarHBondContact O-CB 3.4Å; S956-I960 WeakPolarHBondContact O-CD1 3.18Å; S956-I960 VanDerWaalsContact O-CG1 3.23Å; S956-I960 WeakPolarHBondContact O-CG1 3.35Å; S956-I960 PolarHBondContact O-N 3.3Å
957	G	78.1	Confident	74.8	Confident	35 Å²	35	83.1 Å²	83.1	36%	0.361	47%	0.469	S	S	.	.	H	α-helix	trans	-60.7	-41.5	171.3	0	0	0	0	0	113.4	L953 V954 T961	L953-G957 PolarHBondContact O-N 2.78Å; V954-G957 PolarHBondContact O-N 2.9Å; G957-T961 PolarHBondContact O-N 3.21Å; G957-T961 PolarHBondContact O-OG1 2.79Å
958	V	80.4	Confident	75.1	Confident	74 Å²	74	85 Å²	85	45%	0.448	47%	0.466	S	S	.	.	H	α-helix	trans	-67.3	-41.3	176.5	171.9	0	0	0	0	111.5	V954 G955 S956 T961 L962	V954-V958 HydrophobicContact CG1-CG2 4.39Å; V954-V958 VanDerWaalsContact O-CG2 3.29Å; V954-V958 WeakPolarHBondContact O-CG2 3.25Å; V954-V958 PolarHBondContact O-N 3.44Å; G955-V958 PolarHBondContact O-N 3.48Å; S956-V958 PolarHBondContact O-N 3.01Å; V958-T961 VanDerWaalsContact CA-OG1 3.3Å; V958-T961 WeakPolarHBondContact CA-OG1 3.39Å; V958-T961 PolarHBondContact O-N 2.71Å; V958-T961 PolarHBondContact O-OG1 3.07Å; V958-L962 HydrophobicContact CG1-CD1 3.77Å; V958-L962 WeakPolarHBondContact O-CB 3.31Å; V958-L962 PolarHBondContact O-N 3.43Å
959	L	80.2	Confident	75.1	Confident	125 Å²	125	85.4 Å²	85.4	65%	0.654	47%	0.469	S	S	*	.	H	α-helix	trans	-67.3	-38.7	177.5	-75.8	167.4	0	0	0	112.7	G955 S956 G963	G955-L959 WeakPolarHBondContact O-CG 3.35Å; G955-L959 PolarHBondContact O-N 3.07Å; S956-L959 PolarHBondContact O-N 3.27Å; L959-G963 PolarHBondContact O-N 2.91Å
960	I	82.1	Confident	75.1	Confident	108 Å²	108	89.2 Å²	89.2	55%	0.554	49%	0.492	S	S	*	.	H	α-helix	trans	-67.4	-41.6	176.2	-68.5	165.3	0	0	0	110.6	S956 G963 L964	S956-I960 WeakPolarHBondContact O-CB 3.4Å; S956-I960 WeakPolarHBondContact O-CD1 3.18Å; S956-I960 VanDerWaalsContact O-CG1 3.23Å; S956-I960 WeakPolarHBondContact O-CG1 3.35Å; S956-I960 PolarHBondContact O-N 3.3Å; I960-G963 PolarHBondContact O-N 3.46Å; I960-L964 HydrophobicContact CG2-CD1 4.02Å; I960-L964 WeakPolarHBondContact O-CB 3.4Å; I960-L964 WeakPolarHBondContact O-CG 3.39Å; I960-L964 PolarHBondContact O-N 2.92Å
961	T	77.7	Confident	74.6	Confident	74 Å²	74	87.3 Å²	87.3	45%	0.454	48%	0.483	S	S	.	.	H	α-helix	trans	-67.6	-40.6	176.3	38.4	0	0	0	0	112.1	G957 V958 L964 I965	G957-T961 PolarHBondContact O-N 3.21Å; G957-T961 PolarHBondContact O-OG1 2.79Å; V958-T961 VanDerWaalsContact CA-OG1 3.3Å; V958-T961 WeakPolarHBondContact CA-OG1 3.39Å; V958-T961 PolarHBondContact O-N 2.71Å; V958-T961 PolarHBondContact O-OG1 3.07Å; T961-L964 PolarHBondContact O-N 3.41Å; T961-I965 WeakPolarHBondContact O-CB 3.42Å; T961-I965 WeakPolarHBondContact O-CD1 3Å; T961-I965 WeakPolarHBondContact O-CG1 3.19Å; T961-I965 PolarHBondContact O-N 3.2Å
962	L	80.2	Confident	73.8	Confident	87 Å²	87	91.6 Å²	91.6	46%	0.455	49%	0.491	S	S	.	.	H	α-helix	trans	-62	-41.8	171	-102.5	131.1	0	0	0	112.2	V958 I965 I966	V958-L962 HydrophobicContact CG1-CD1 3.77Å; V958-L962 WeakPolarHBondContact O-CB 3.31Å; V958-L962 PolarHBondContact O-N 3.43Å; L962-I965 PolarHBondContact O-N 3.31Å; L962-I966 HydrophobicContact CD2-CD1 4.47Å; L962-I966 WeakPolarHBondContact O-CB 3.25Å; L962-I966 VanDerWaalsContact O-CG1 3.22Å; L962-I966 WeakPolarHBondContact O-CG1 3.43Å; L962-I966 PolarHBondContact O-N 3.07Å
963	G	78.4	Confident	73	Confident	38 Å²	38	94.7 Å²	94.7	39%	0.392	50%	0.499	S	S	.	.	H	α-helix	trans	-62.3	-41.5	175.2	0	0	0	0	0	112.7	L959 I960 Y967	L959-G963 PolarHBondContact O-N 2.91Å; I960-G963 PolarHBondContact O-N 3.46Å; G963-Y967 WeakPolarHBondContact O-CB 3.32Å; G963-Y967 PolarHBondContact O-N 3.14Å
964	L	78.6	Confident	71.9	Confident	89 Å²	89	97.9 Å²	97.9	47%	0.466	51%	0.508	S	S	.	.	H	α-helix	trans	-68.1	-40	174.6	-75.8	167.7	0	0	0	112	I960 T961 Y967 Y968	I960-L964 HydrophobicContact CG2-CD1 4.02Å; I960-L964 WeakPolarHBondContact O-CB 3.4Å; I960-L964 WeakPolarHBondContact O-CG 3.39Å; I960-L964 PolarHBondContact O-N 2.92Å; T961-L964 PolarHBondContact O-N 3.41Å; L964-Y967 PolarHBondContact O-N 3.06Å; L964-Y968 WeakPolarHBondContact O-CB 3.38Å; L964-Y968 WeakPolarHBondContact O-CD2 3.36Å; L964-Y968 PolarHBondContact O-N 3.14Å
965	I	77.9	Confident	70.7	Confident	105 Å²	105	101.7 Å²	101.7	54%	0.538	52%	0.522	S	S	.	.	H	α-helix	trans	-63.2	-46.8	175.3	-70.7	164.3	0	0	0	110	T961 L962 Y968 T969	T961-I965 WeakPolarHBondContact O-CB 3.42Å; T961-I965 WeakPolarHBondContact O-CD1 3Å; T961-I965 WeakPolarHBondContact O-CG1 3.19Å; T961-I965 PolarHBondContact O-N 3.2Å; L962-I965 PolarHBondContact O-N 3.31Å; I965-Y968 PolarHBondContact O-N 3.07Å; I965-T969 HydrophobicContact CG2-CG2 4.29Å; I965-T969 WeakPolarHBondContact O-CB 2.99Å; I965-T969 VanDerWaalsContact O-CG2 3.28Å; I965-T969 WeakPolarHBondContact O-CG2 3.46Å; I965-T969 PolarHBondContact O-N 3.45Å; I965-T969 PolarHBondContact O-OG1 3.46Å
966	I	76.6	Confident	69.6	Low	95 Å²	95	110.3 Å²	110.3	49%	0.487	55%	0.546	S	S	.	.	H	α-helix	trans	-62.9	-42.5	176.8	-68.1	165.8	0	0	0	110.8	L962 T969 T970	L962-I966 HydrophobicContact CD2-CD1 4.47Å; L962-I966 WeakPolarHBondContact O-CB 3.25Å; L962-I966 VanDerWaalsContact O-CG1 3.22Å; L962-I966 WeakPolarHBondContact O-CG1 3.43Å; L962-I966 PolarHBondContact O-N 3.07Å; I966-T969 WeakPolarHBondContact CA-OG1 3.46Å; I966-T969 PolarHBondContact O-OG1 3.11Å; I966-T969 VanDerWaalsContact O-OG1 3.12Å; I966-T970 WeakPolarHBondContact O-CB 3.42Å; I966-T970 PolarHBondContact O-N 2.97Å; I966-T970 PolarHBondContact O-OG1 2.73Å
967	Y	76.8	Confident	68	Low	133 Å²	133	121.3 Å²	121.3	52%	0.522	58%	0.581	S	S	.	*	H	α-helix	trans	-62.7	-43.9	177.1	178.1	-98.7	0	0	0	112.2	G963 L964 T970 K971	G963-Y967 WeakPolarHBondContact O-CB 3.32Å; G963-Y967 PolarHBondContact O-N 3.14Å; L964-Y967 PolarHBondContact O-N 3.06Å; Y967-T970 PolarHBondContact O-OG1 2.97Å; Y967-K971 HydrophobicContact CE1-CD 4.39Å; Y967-K971 VanDerWaalsContact O-CB 3.23Å; Y967-K971 WeakPolarHBondContact O-CB 3.48Å; Y967-K971 PolarHBondContact O-N 3.3Å
968	Y	68.8	Low	67.5	Low	141 Å²	141	125.6 Å²	125.6	55%	0.553	59%	0.592	S	S	*	*	H	α-helix	trans	-76.6	-30.5	179.5	-88.4	-80.7	0	0	0	113.4	L964 I965 R972	L964-Y968 WeakPolarHBondContact O-CB 3.38Å; L964-Y968 WeakPolarHBondContact O-CD2 3.36Å; L964-Y968 PolarHBondContact O-N 3.14Å; I965-Y968 PolarHBondContact O-N 3.07Å; Y968-R972 WeakPolarHBondContact O-CB 3.33Å; Y968-R972 PolarHBondContact O-N 2.77Å
969	T	66.4	Low	66.8	Low	75 Å²	75	128.3 Å²	128.3	46%	0.46	60%	0.6	S	S	.	*	H	α-helix	trans	-73.3	-37.5	173.3	53	0	0	0	0	112.1	I965 I966 H973	I965-T969 HydrophobicContact CG2-CG2 4.29Å; I965-T969 WeakPolarHBondContact O-CB 2.99Å; I965-T969 VanDerWaalsContact O-CG2 3.28Å; I965-T969 WeakPolarHBondContact O-CG2 3.46Å; I965-T969 PolarHBondContact O-N 3.45Å; I965-T969 PolarHBondContact O-OG1 3.46Å; I966-T969 WeakPolarHBondContact CA-OG1 3.46Å; I966-T969 PolarHBondContact O-OG1 3.11Å; I966-T969 VanDerWaalsContact O-OG1 3.12Å; T969-H973 PolarHBondContact O-N 3.16Å
970	T	62.7	Low	66.1	Low	85 Å²	85	128.5 Å²	128.5	52%	0.521	60%	0.597	S	S	.	*	H	α-helix	trans	-71	-31.5	171.9	45.9	0	0	0	0	112.9	I966 Y967	I966-T970 WeakPolarHBondContact O-CB 3.42Å; I966-T970 PolarHBondContact O-N 2.97Å; I966-T970 PolarHBondContact O-OG1 2.73Å; Y967-T970 PolarHBondContact O-OG1 2.97Å
971	K	58.9	Low	65.2	Low	101 Å²	101	129.7 Å²	129.7	44%	0.439	60%	0.599	S	S	.	*	H	α-helix	trans	-69.9	-39.7	172.7	-166.9	175.2	179.9	-179.1	0	112.4	Y967 H973 K974	Y967-K971 HydrophobicContact CE1-CD 4.39Å; Y967-K971 VanDerWaalsContact O-CB 3.23Å; Y967-K971 WeakPolarHBondContact O-CB 3.48Å; Y967-K971 PolarHBondContact O-N 3.3Å; K971-H973 VanDerWaalsContact C-N 3.34Å; K971-H973 PolarHBondContact O-N 2.87Å; K971-K974 PolarHBondContact O-N 2.93Å
972	R	53.7	Low	64.4	Low	202 Å²	202	133.2 Å²	133.2	76%	0.762	61%	0.609	S	S	*	*	H	α-helix	trans	-66.6	-29.8	174.7	-96.7	-173.3	169.5	-176.7	-2.2	113.9	Y968 K974	Y968-R972 WeakPolarHBondContact O-CB 3.33Å; Y968-R972 PolarHBondContact O-N 2.77Å; R972-K974 PolarHBondContact O-N 3.44Å
973	H	53.5	Low	63.3	Low	152 Å²	152	136.3 Å²	136.3	70%	0.704	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-12.9	175.1	-101.7	-68.2	0	0	0	114.2	T969 K971	T969-H973 PolarHBondContact O-N 3.16Å; K971-H973 VanDerWaalsContact C-N 3.34Å; K971-H973 PolarHBondContact O-N 2.87Å
974	K	50.5	Low	62.2	Low	183 Å²	183	143.3 Å²	143.3	80%	0.796	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-3.8	177.5	-110.6	-179	178.3	-178.7	0	114.5	K971 R972	K971-K974 PolarHBondContact O-N 2.93Å; R972-K974 PolarHBondContact O-N 3.44Å
975	E	51.2	Low	61	Low	149 Å²	149	147.5 Å²	147.5	70%	0.696	65%	0.648	S	S	*	*	S	Bend	trans	-102.7	6.6	178	-73.7	178.6	170.9	0	0	113.2
976	Y	51.8	Low	59.6	Low	211 Å²	211	151 Å²	151	83%	0.827	66%	0.657	S	S	*	*			trans	-123.3	22.1	178.2	-98.8	-83.1	0	0	0	114.3
977	Y	44	Very low	58	Low	285 Å²	285	156.1 Å²	156.1	100%	1.118	67%	0.673	S	S	*	*			trans	-132.8	0	165.5	-92.6	-80.3	0	0	0	111

Retrieved 977 of 977 residues in 425.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).