A0A088QCN9_MUSCR Loading...

LINE-1 type transposase domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A088QCN9, Species MUSCR (Mus caroli, Ryukyu mouse), Gene L1TD1, Length 845 aa.

						>A0A088QCN9_MUSCR|A0A088QCN9|L1TD1
MSGVQSKAARLQKERKEKLSADRERKTATSLCLKHSEVPASMMKQFNALMEMQEAMFAEMRETYKNDIKEMLLKRTAPWVKRLEERIGQQEGDADSERPKPGEKVEEESSGTDEDTENLTVRSKKGNLDRKQDKAKPLNSSHVLKSSLERVGAALRGEHGRCGESSSLVDRKNANEKPAREPSCQSEENPLKAPKQSPPEGGAGATLRLAADFSAATLDVGRQWSQVFRLLKEKELEPELQCSVKLAFKCDGEANVFSDLHSLRQFTSRKPFLRELLKDVFPQNEGGRRNELRERLGKTLGDTKHEARRIASDSLSFLFVKEVEVASPEVKTYKEETLDPKNKGTLEKQEGEEEEISETQGEETSEGETSELGEEEGEGSESEEEEEGEGSESEEEEESSESKEEEESSESGEEEEDSGEEEEENSEMGKKEVASIRQEVLGSAFQGLAVAEECGVGKITRTAEQIGLISLVVDSESEEEVNRKTASQTKNKETFHGLKELAFSYLVWDSKKKKLVRCQEGEAAAASTQRTGMPCLTLYLTSPSESLGAGSDGPKSHSCTKLSALSQVSPLLMNIEKGRYKALQTEELTAKEADLILETEENFRRGVISVIRQMQREVDKIKNIYVSDVLNMKSELDDLNSLACMIEARVSEQEDAKDTMQLAREIIDKERLREREDRFRSSNIRVIGIPEKENRENGAVDIIKEVIEENFAELEDQSLEIVSAHRVPNSVDEHRVTPRHILVKFGSASDKQRVLKASRAKQEITYRGSKIRLTADLSPGTIDARSQWCGIIKILQDKGFQPRILYPAKLAFDFKGKTKIFFDIEEFKKFISDIPYLKDLLNNIH
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.7	Low	51.9	Low	207 Å²	207	115.9 Å²	115.9	100%	1.02	65%	0.647	S	S	*	*				0	-12.1	0	-70	-58.1	-89.6	0	0	114.9	G3	M1-G3 PolarHBondContact O-N 2.7Å
2	S	49.7	Very low	52	Low	105 Å²	105	116.8 Å²	116.8	73%	0.734	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-15.3	-174.7	44.4	0	0	0	0	117	V4	S2-V4 PolarHBondContact O-N 2.69Å
3	G	47.4	Very low	52.8	Low	51 Å²	51	117.5 Å²	117.5	53%	0.526	64%	0.636	S	S	.	*	H	α-helix	trans	-73.7	-17.6	-178.1	0	0	0	0	0	116.1	M1	M1-G3 PolarHBondContact O-N 2.7Å
4	V	49.3	Very low	53.2	Low	102 Å²	102	115.8 Å²	115.8	62%	0.618	62%	0.621	S	S	*	*	H	α-helix	trans	-82.9	-46.6	-172.8	-176.1	0	0	0	0	111.9	S2 S6 K7 A8	S2-V4 PolarHBondContact O-N 2.69Å; V4-S6 VanDerWaalsContact C-N 3.34Å; V4-S6 PolarHBondContact O-N 3.4Å; V4-K7 PolarHBondContact O-N 2.96Å; V4-K7 VanDerWaalsContact O-N 3.11Å; V4-A8 PolarHBondContact O-N 3.44Å
5	Q	47.1	Very low	53.2	Low	162 Å²	162	120.7 Å²	120.7	76%	0.757	63%	0.628	S	S	*	*	H	α-helix	trans	-63.8	-37.8	179.4	-74.5	174	-31	0	0	112	K7 A8 A9	Q5-K7 VanDerWaalsContact C-N 3.3Å; Q5-K7 PolarHBondContact O-N 3.41Å; Q5-A8 PolarHBondContact O-N 3.08Å; Q5-A9 WeakPolarHBondContact O-CB 3.45Å; Q5-A9 PolarHBondContact O-N 3.49Å
6	S	55.1	Low	53.3	Low	80 Å²	80	122.9 Å²	122.9	56%	0.559	63%	0.631	S	S	*	*	H	α-helix	trans	-65.1	-28.9	174	-60	0	0	0	0	113.7	V4 R10	V4-S6 VanDerWaalsContact C-N 3.34Å; V4-S6 PolarHBondContact O-N 3.4Å; S6-R10 WeakPolarHBondContact O-CB 3.41Å; S6-R10 PolarHBondContact O-N 2.89Å; S6-R10 VanDerWaalsContact O-N 3.1Å
7	K	52.7	Low	53.5	Low	156 Å²	156	121.4 Å²	121.4	68%	0.678	62%	0.62	S	S	*	*	H	α-helix	trans	-72.8	-42.3	170.3	-87	-171	172.9	-175.6	0	111.8	V4 Q5 R10 L11	V4-K7 PolarHBondContact O-N 2.96Å; V4-K7 VanDerWaalsContact O-N 3.11Å; Q5-K7 VanDerWaalsContact C-N 3.3Å; Q5-K7 PolarHBondContact O-N 3.41Å; K7-R10 PolarHBondContact O-N 3.5Å; K7-L11 WeakPolarHBondContact O-CB 3Å; K7-L11 WeakPolarHBondContact O-CG 3.33Å; K7-L11 PolarHBondContact O-N 3.14Å
8	A	52.8	Low	53.6	Low	56 Å²	56	122.6 Å²	122.6	46%	0.463	62%	0.62	S	S	.	*	H	α-helix	trans	-60.7	-44.5	175.2	0	0	0	0	0	111.8	V4 Q5 L11 Q12	V4-A8 PolarHBondContact O-N 3.44Å; Q5-A8 PolarHBondContact O-N 3.08Å; A8-L11 PolarHBondContact O-N 3.49Å; A8-Q12 WeakPolarHBondContact O-CB 3.26Å; A8-Q12 VanDerWaalsContact O-CG 3.28Å; A8-Q12 WeakPolarHBondContact O-CG 3.38Å; A8-Q12 PolarHBondContact O-N 2.69Å
9	A	55.1	Low	53.4	Low	61 Å²	61	122.3 Å²	122.3	50%	0.504	62%	0.62	S	S	.	*	H	α-helix	trans	-63.9	-41.4	176.1	0	0	0	0	0	112.8	Q5 Q12 K13	Q5-A9 WeakPolarHBondContact O-CB 3.45Å; Q5-A9 PolarHBondContact O-N 3.49Å; A9-Q12 PolarHBondContact O-N 3.28Å; A9-K13 PolarHBondContact O-N 3.29Å
10	R	54	Low	53.1	Low	193 Å²	193	118.7 Å²	118.7	73%	0.728	61%	0.606	S	S	*	*	H	α-helix	trans	-64	-44.5	173.2	-91.2	-174.2	166.6	170.3	-3.8	112.5	S6 K7 Q12 K13 E14	S6-R10 WeakPolarHBondContact O-CB 3.41Å; S6-R10 PolarHBondContact O-N 2.89Å; S6-R10 VanDerWaalsContact O-N 3.1Å; K7-R10 PolarHBondContact O-N 3.5Å; R10-Q12 VanDerWaalsContact C-N 3.33Å; R10-Q12 PolarHBondContact O-N 2.91Å; R10-K13 PolarHBondContact O-N 2.72Å; R10-E14 WeakPolarHBondContact O-CB 3.06Å; R10-E14 WeakPolarHBondContact O-CG 3.18Å; R10-E14 PolarHBondContact O-N 2.75Å
11	L	56.6	Low	53	Low	102 Å²	102	114.4 Å²	114.4	53%	0.534	59%	0.589	S	S	.	*	H	α-helix	trans	-66.9	-33	178.1	-72.2	168.2	0	0	0	112.8	K7 A8 R15	K7-L11 WeakPolarHBondContact O-CB 3Å; K7-L11 WeakPolarHBondContact O-CG 3.33Å; K7-L11 PolarHBondContact O-N 3.14Å; A8-L11 PolarHBondContact O-N 3.49Å; L11-R15 VanDerWaalsContact O-CB 3.3Å; L11-R15 WeakPolarHBondContact O-CB 3.34Å; L11-R15 WeakPolarHBondContact O-CG 3.46Å; L11-R15 PolarHBondContact O-N 3.28Å
12	Q	54	Low	52.8	Low	127 Å²	127	108 Å²	108	59%	0.593	56%	0.559	S	S	*	*	H	α-helix	trans	-63.6	-45.4	169.4	-78.7	-84.9	-11.2	0	0	111.3	A8 A9 R10 R15 K16	A8-Q12 WeakPolarHBondContact O-CB 3.26Å; A8-Q12 VanDerWaalsContact O-CG 3.28Å; A8-Q12 WeakPolarHBondContact O-CG 3.38Å; A8-Q12 PolarHBondContact O-N 2.69Å; A9-Q12 PolarHBondContact O-N 3.28Å; R10-Q12 VanDerWaalsContact C-N 3.33Å; R10-Q12 PolarHBondContact O-N 2.91Å; Q12-R15 PolarHBondContact O-N 3.29Å; Q12-K16 PolarHBondContact O-N 3.27Å
13	K	61.8	Low	52.6	Low	126 Å²	126	112.2 Å²	112.2	55%	0.548	56%	0.559	S	S	.	*	H	α-helix	trans	-65.9	-48.1	177	-173	173.3	171.4	178.3	0	112.1	A9 R10 R15 K16 E17	A9-K13 PolarHBondContact O-N 3.29Å; R10-K13 PolarHBondContact O-N 2.72Å; K13-R15 VanDerWaalsContact C-N 3.28Å; K13-R15 PolarHBondContact O-N 2.98Å; K13-K16 CarbonylContact O-C 3.59Å; K13-K16 PolarHBondContact O-N 3.03Å; K13-E17 WeakPolarHBondContact CE-OE1 3.32Å; K13-E17 WeakPolarHBondContact CE-OE2 3.32Å; K13-E17 IonicContact NZ-OE1 3.75Å; K13-E17 PolarHBondContact NZ-OE1 2.93Å; K13-E17 PolarHBondContact O-N 2.93Å
14	E	58.8	Low	52.6	Low	93 Å²	93	115.6 Å²	115.6	44%	0.435	56%	0.561	S	S	.	*	H	α-helix	trans	-61.1	-33.3	175.7	-74.2	-175.5	164.8	0	0	112.7	R10 K18	R10-E14 WeakPolarHBondContact O-CB 3.06Å; R10-E14 WeakPolarHBondContact O-CG 3.18Å; R10-E14 PolarHBondContact O-N 2.75Å; E14-K18 VanDerWaalsContact O-CB 3.24Å; E14-K18 WeakPolarHBondContact O-CB 3.36Å; E14-K18 VanDerWaalsContact O-CG 3.26Å; E14-K18 WeakPolarHBondContact O-CG 3.17Å; E14-K18 PolarHBondContact O-N 3.42Å
15	R	53.1	Low	52.5	Low	190 Å²	190	118.4 Å²	118.4	72%	0.717	56%	0.56	S	S	*	*	H	α-helix	trans	-68.5	-39.2	171.6	-84.2	-175.7	168.9	-166.7	-3.5	112	L11 Q12 K13 L19	L11-R15 VanDerWaalsContact O-CB 3.3Å; L11-R15 WeakPolarHBondContact O-CB 3.34Å; L11-R15 WeakPolarHBondContact O-CG 3.46Å; L11-R15 PolarHBondContact O-N 3.28Å; Q12-R15 PolarHBondContact O-N 3.29Å; K13-R15 VanDerWaalsContact C-N 3.28Å; K13-R15 PolarHBondContact O-N 2.98Å; R15-L19 VanDerWaalsContact O-CB 3.3Å; R15-L19 WeakPolarHBondContact O-CB 3.37Å; R15-L19 WeakPolarHBondContact O-CG 3.2Å; R15-L19 PolarHBondContact O-N 2.9Å
16	K	54.6	Low	52.4	Low	155 Å²	155	117.4 Å²	117.4	67%	0.674	55%	0.554	S	S	*	*	H	α-helix	trans	-68.3	-43.4	174.6	-76.3	-169.2	173.9	-171.7	0	112.3	Q12 K13 L19 S20	Q12-K16 PolarHBondContact O-N 3.27Å; K13-K16 CarbonylContact O-C 3.59Å; K13-K16 PolarHBondContact O-N 3.03Å; K16-L19 PolarHBondContact O-N 2.62Å; K16-S20 PolarHBondContact O-N 3.49Å; K16-S20 PolarHBondContact O-OG 2.78Å
17	E	56.3	Low	51.8	Low	98 Å²	98	117.1 Å²	117.1	46%	0.458	55%	0.548	S	S	.	.	H	α-helix	trans	-67.3	-33.7	175.5	-76.7	169.4	150.6	0	0	112.3	K13 S20 A21	K13-E17 WeakPolarHBondContact CE-OE1 3.32Å; K13-E17 WeakPolarHBondContact CE-OE2 3.32Å; K13-E17 IonicContact NZ-OE1 3.75Å; K13-E17 PolarHBondContact NZ-OE1 2.93Å; K13-E17 PolarHBondContact O-N 2.93Å; E17-S20 PolarHBondContact O-OG 2.74Å; E17-S20 VanDerWaalsContact O-OG 3.07Å; E17-A21 WeakPolarHBondContact O-CB 3.23Å; E17-A21 PolarHBondContact O-N 3.17Å
18	K	55.7	Low	51.2	Low	142 Å²	142	112.8 Å²	112.8	62%	0.617	54%	0.542	S	S	*	.	H	α-helix	trans	-70.8	-37	170.5	-76.1	171.6	179.5	168.1	0	112.5	E14 D22	E14-K18 VanDerWaalsContact O-CB 3.24Å; E14-K18 WeakPolarHBondContact O-CB 3.36Å; E14-K18 VanDerWaalsContact O-CG 3.26Å; E14-K18 WeakPolarHBondContact O-CG 3.17Å; E14-K18 PolarHBondContact O-N 3.42Å; K18-D22 WeakPolarHBondContact O-CB 3.42Å; K18-D22 PolarHBondContact O-N 3.08Å
19	L	49.8	Very low	50.6	Low	117 Å²	117	115.4 Å²	115.4	61%	0.613	55%	0.552	S	S	*	*	H	α-helix	trans	-72.7	-29.6	175.5	-79.6	166	0	0	0	113.3	R15 K16 R23	R15-L19 VanDerWaalsContact O-CB 3.3Å; R15-L19 WeakPolarHBondContact O-CB 3.37Å; R15-L19 WeakPolarHBondContact O-CG 3.2Å; R15-L19 PolarHBondContact O-N 2.9Å; K16-L19 PolarHBondContact O-N 2.62Å; L19-R23 WeakPolarHBondContact O-CB 3.32Å; L19-R23 PolarHBondContact O-N 2.97Å; L19-R23 VanDerWaalsContact O-N 3.09Å
20	S	48	Very low	50	Low	50 Å²	50	116.4 Å²	116.4	35%	0.35	56%	0.555	S	S	.	*	H	α-helix	trans	-72.2	-46.9	169.1	67.5	0	0	0	0	110.6	K16 E17 D22 R23 E24	K16-S20 PolarHBondContact O-N 3.49Å; K16-S20 PolarHBondContact O-OG 2.78Å; E17-S20 PolarHBondContact O-OG 2.74Å; E17-S20 VanDerWaalsContact O-OG 3.07Å; S20-D22 VanDerWaalsContact C-N 3.31Å; S20-D22 PolarHBondContact O-N 3.47Å; S20-R23 CarbonylContact O-C 3.55Å; S20-R23 WeakPolarHBondContact O-CA 3.25Å; S20-R23 WeakPolarHBondContact O-CB 3.26Å; S20-R23 PolarHBondContact O-N 3.44Å; S20-E24 WeakPolarHBondContact O-CB 3.29Å; S20-E24 WeakPolarHBondContact O-CG 3.23Å; S20-E24 PolarHBondContact O-N 3.15Å
21	A	49.9	Very low	49.4	Very low	29 Å²	29	113.7 Å²	113.7	24%	0.24	55%	0.554	C	S	.	*	H	α-helix	trans	-62.4	-33.4	177.4	0	0	0	0	0	113.5	E17 R25	E17-A21 WeakPolarHBondContact O-CB 3.23Å; E17-A21 PolarHBondContact O-N 3.17Å; A21-R25 WeakPolarHBondContact O-CB 3.34Å; A21-R25 VanDerWaalsContact O-CG 3.26Å; A21-R25 WeakPolarHBondContact O-CG 3.24Å; A21-R25 PolarHBondContact O-N 2.74Å
22	D	46.7	Very low	48.5	Very low	73 Å²	73	114 Å²	114	39%	0.39	56%	0.564	S	S	.	*	H	α-helix	trans	-77.1	-28.2	172.2	-104.4	32.2	0	0	0	112.8	K18 S20 R25 K26	K18-D22 WeakPolarHBondContact O-CB 3.42Å; K18-D22 PolarHBondContact O-N 3.08Å; S20-D22 VanDerWaalsContact C-N 3.31Å; S20-D22 PolarHBondContact O-N 3.47Å; D22-R25 IonicContact OD1-NH1 2.68Å; D22-K26 VanDerWaalsContact O-CB 3.3Å; D22-K26 WeakPolarHBondContact O-CB 3.48Å; D22-K26 WeakPolarHBondContact O-CD 3.46Å; D22-K26 WeakPolarHBondContact O-CG 3.45Å; D22-K26 PolarHBondContact O-N 3Å
23	R	46	Very low	47.9	Very low	193 Å²	193	114.3 Å²	114.3	73%	0.728	57%	0.569	S	S	*	*	H	α-helix	trans	-67.1	-47.5	167.7	-104.9	-174.2	164.8	104.3	-4.5	110.8	L19 S20 R25 K26 T27	L19-R23 WeakPolarHBondContact O-CB 3.32Å; L19-R23 PolarHBondContact O-N 2.97Å; L19-R23 VanDerWaalsContact O-N 3.09Å; S20-R23 CarbonylContact O-C 3.55Å; S20-R23 WeakPolarHBondContact O-CA 3.25Å; S20-R23 WeakPolarHBondContact O-CB 3.26Å; S20-R23 PolarHBondContact O-N 3.44Å; R23-R25 PolarHBondContact O-N 2.71Å; R23-K26 CarbonylContact O-C 3.58Å; R23-K26 PolarHBondContact O-N 2.6Å; R23-K26 VanDerWaalsContact O-N 3.13Å; R23-T27 PolarHBondContact O-N 2.93Å; R23-T27 PolarHBondContact O-OG1 2.83Å
24	E	47.2	Very low	46.9	Very low	123 Å²	123	116.7 Å²	116.7	58%	0.575	58%	0.58	S	S	*	*	H	α-helix	trans	-63.1	-38	177.7	-73.5	164.9	-169.4	0	0	111.9	S20 T27 A28	S20-E24 WeakPolarHBondContact O-CB 3.29Å; S20-E24 WeakPolarHBondContact O-CG 3.23Å; S20-E24 PolarHBondContact O-N 3.15Å; E24-T27 WeakPolarHBondContact CA-OG1 3.25Å; E24-T27 PolarHBondContact O-OG1 3.3Å; E24-A28 WeakPolarHBondContact O-CB 3.27Å; E24-A28 PolarHBondContact O-N 2.92Å
25	R	47.5	Very low	45.9	Very low	160 Å²	160	120.9 Å²	120.9	60%	0.604	60%	0.598	S	S	*	*	H	α-helix	trans	-67.6	-39.5	170.2	-76.5	173.9	-175.1	140.5	3.5	112.6	A21 D22 R23 T29	A21-R25 WeakPolarHBondContact O-CB 3.34Å; A21-R25 VanDerWaalsContact O-CG 3.26Å; A21-R25 WeakPolarHBondContact O-CG 3.24Å; A21-R25 PolarHBondContact O-N 2.74Å; D22-R25 IonicContact OD1-NH1 2.68Å; R23-R25 PolarHBondContact O-N 2.71Å; R25-T29 WeakPolarHBondContact O-CB 3.22Å; R25-T29 PolarHBondContact O-N 2.84Å; R25-T29 PolarHBondContact O-OG1 2.8Å
26	K	44.3	Very low	45.4	Very low	142 Å²	142	116.6 Å²	116.6	62%	0.617	60%	0.598	S	S	*	*	H	α-helix	trans	-67.6	-41.2	176.7	-76.3	170	-177.1	174.4	0	111.6	D22 R23 T29 S30	D22-K26 VanDerWaalsContact O-CB 3.3Å; D22-K26 WeakPolarHBondContact O-CB 3.48Å; D22-K26 WeakPolarHBondContact O-CD 3.46Å; D22-K26 WeakPolarHBondContact O-CG 3.45Å; D22-K26 PolarHBondContact O-N 3Å; R23-K26 CarbonylContact O-C 3.58Å; R23-K26 PolarHBondContact O-N 2.6Å; R23-K26 VanDerWaalsContact O-N 3.13Å; K26-T29 PolarHBondContact O-N 3.37Å; K26-S30 WeakPolarHBondContact O-CB 3.33Å; K26-S30 PolarHBondContact O-N 3.2Å; K26-S30 PolarHBondContact O-OG 3.38Å
27	T	42.4	Very low	45.1	Very low	73 Å²	73	117.9 Å²	117.9	45%	0.448	61%	0.606	S	S	.	*	H	α-helix	trans	-70.4	-38.5	174.9	55.1	0	0	0	0	112.5	R23 E24 T29 S30 L31	R23-T27 PolarHBondContact O-N 2.93Å; R23-T27 PolarHBondContact O-OG1 2.83Å; E24-T27 WeakPolarHBondContact CA-OG1 3.25Å; E24-T27 PolarHBondContact O-OG1 3.3Å; T27-T29 PolarHBondContact O-N 3Å; T27-S30 WeakPolarHBondContact CA-OG 3.48Å; T27-S30 PolarHBondContact O-N 3.27Å; T27-S30 PolarHBondContact O-OG 3.33Å; T27-L31 WeakPolarHBondContact O-CB 3.04Å; T27-L31 PolarHBondContact O-N 3.18Å
28	A	40.4	Very low	44.8	Very low	65 Å²	65	117.7 Å²	117.7	54%	0.537	61%	0.611	S	S	.	*	H	α-helix	trans	-64.5	-26	171.7	0	0	0	0	0	113	E24	E24-A28 WeakPolarHBondContact O-CB 3.27Å; E24-A28 PolarHBondContact O-N 2.92Å
29	T	40.2	Very low	45.2	Very low	111 Å²	111	114 Å²	114	68%	0.681	60%	0.602	S	S	*	*	H	α-helix	trans	-84.3	-31.8	174.2	-51.3	0	0	0	0	111.9	R25 K26 T27	R25-T29 WeakPolarHBondContact O-CB 3.22Å; R25-T29 PolarHBondContact O-N 2.84Å; R25-T29 PolarHBondContact O-OG1 2.8Å; K26-T29 PolarHBondContact O-N 3.37Å; T27-T29 PolarHBondContact O-N 3Å
30	S	43.1	Very low	45.4	Very low	82 Å²	82	112.1 Å²	112.1	57%	0.573	60%	0.603	S	S	*	*	H	α-helix	trans	-85.1	-20.2	179.5	71.8	0	0	0	0	114.7	K26 T27	K26-S30 WeakPolarHBondContact O-CB 3.33Å; K26-S30 PolarHBondContact O-N 3.2Å; K26-S30 PolarHBondContact O-OG 3.38Å; T27-S30 WeakPolarHBondContact CA-OG 3.48Å; T27-S30 PolarHBondContact O-N 3.27Å; T27-S30 PolarHBondContact O-OG 3.33Å
31	L	40.4	Very low	45.7	Very low	136 Å²	136	113.2 Å²	113.2	71%	0.712	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	6.8	177.5	-83.8	162.8	0	0	0	114.7	T27	T27-L31 WeakPolarHBondContact O-CB 3.04Å; T27-L31 PolarHBondContact O-N 3.18Å
32	C	37.4	Very low	45.8	Very low	108 Å²	108	116.9 Å²	116.9	73%	0.73	62%	0.624	S	S	*	*			trans	-109.6	29.4	178.2	-97	0	0	0	0	114.6
33	L	41.7	Very low	46.7	Very low	134 Å²	134	117.8 Å²	117.8	70%	0.702	63%	0.627	S	S	*	*			trans	-101.8	46.8	162.8	-75.5	174.9	0	0	0	112.3	H35	L33-H35 PolarHBondContact O-N 3.44Å
34	K	40.8	Very low	47.5	Very low	177 Å²	177	116.1 Å²	116.1	77%	0.77	63%	0.625	S	S	*	*			trans	-72.7	105.3	155.8	-69.5	-175.6	179.4	-178.5	0	107.4	S36	K34-S36 PolarHBondContact O-N 2.84Å
35	H	38.2	Very low	48.2	Very low	180 Å²	180	116.6 Å²	116.6	83%	0.833	63%	0.628	S	S	*	*			trans	-71.4	77.2	175.4	-81.7	-81.4	0	0	0	111	L33	L33-H35 PolarHBondContact O-N 3.44Å
36	S	43.3	Very low	48.7	Very low	100 Å²	100	114.4 Å²	114.4	70%	0.699	62%	0.623	S	S	*	*			trans	-132.4	32.5	177.5	67.9	0	0	0	0	112.9	K34	K34-S36 PolarHBondContact O-N 2.84Å
37	E	48.1	Very low	49.7	Very low	183 Å²	183	111.4 Å²	111.4	86%	0.855	61%	0.614	S	S	*	*			trans	-148.4	102.2	164.4	-117.8	171.8	-128.7	0	0	109.3	P39	E37-P39 WeakPolarHBondContact O-CD 3.45Å
38	V	50.7	Low	51	Low	93 Å²	93	110 Å²	110	56%	0.564	61%	0.609	S	S	*	*			trans	-71.8	119.4	165.4	174.9	0	0	0	0	106.3	A40 M42 M43	V38-A40 PolarHBondContact O-N 3.37Å; V38-M42 HydrophobicContact CG1-CB 3.79Å; V38-M43 HydrophobicContact CG1-CB 4.3Å; V38-M43 HydrophobicContact CG1-SD 4.38Å
39	P	63.8	Low	52.3	Low	65 Å²	65	111.7 Å²	111.7	42%	0.422	61%	0.609	S	S	.	*			trans	-55.9	140	-179.7	-26	35.5	0	0	0	110.8	E37 S41 M42 M43	E37-P39 WeakPolarHBondContact O-CD 3.45Å; P39-S41 CarbonylContact O-C 3.59Å; P39-S41 PolarHBondContact O-N 2.94Å; P39-M42 HydrophobicContact CG-CE 4.3Å; P39-M42 WeakPolarHBondContact O-CA 3.45Å; P39-M42 PolarHBondContact O-N 3.29Å; P39-M43 PolarHBondContact O-N 2.99Å
40	A	53.4	Low	54.2	Low	77 Å²	77	109.9 Å²	109.9	64%	0.636	59%	0.593	S	S	*	*	H	α-helix	trans	-60.1	-16.1	-177.7	0	0	0	0	0	113.7	V38 K44	V38-A40 PolarHBondContact O-N 3.37Å; A40-K44 WeakPolarHBondContact O-CB 3.38Å; A40-K44 VanDerWaalsContact O-CG 3.25Å; A40-K44 WeakPolarHBondContact O-CG 3.29Å; A40-K44 PolarHBondContact O-N 3.21Å
41	S	54.1	Low	55.6	Low	73 Å²	73	112.5 Å²	112.5	51%	0.51	60%	0.596	S	S	.	*	H	α-helix	trans	-69.1	-50	166.1	47.9	0	0	0	0	112.6	P39 M43 K44 Q45	P39-S41 CarbonylContact O-C 3.59Å; P39-S41 PolarHBondContact O-N 2.94Å; S41-M43 PolarHBondContact O-N 3.35Å; S41-K44 PolarHBondContact O-N 3.13Å; S41-Q45 WeakPolarHBondContact O-CG 3.35Å; S41-Q45 PolarHBondContact O-N 3.16Å
42	M	51.2	Low	57.1	Low	106 Å²	106	112 Å²	112	52%	0.522	59%	0.592	S	S	.	*	H	α-helix	trans	-64	-39.5	177.3	-67.4	-145.4	-69.1	0	0	111.6	V38 P39 K44 Q45 F46	V38-M42 HydrophobicContact CG1-CB 3.79Å; P39-M42 HydrophobicContact CG-CE 4.3Å; P39-M42 WeakPolarHBondContact O-CA 3.45Å; P39-M42 PolarHBondContact O-N 3.29Å; M42-K44 VanDerWaalsContact C-N 3.33Å; M42-K44 PolarHBondContact O-N 3.04Å; M42-Q45 PolarHBondContact O-N 3.06Å; M42-F46 WeakPolarHBondContact O-CB 3.33Å; M42-F46 PolarHBondContact O-N 3.31Å
43	M	66.9	Low	58.2	Low	93 Å²	93	110.5 Å²	110.5	46%	0.458	57%	0.574	S	S	.	*	H	α-helix	trans	-66.1	-35	175.7	-157.5	70.7	-161.7	0	0	112.2	V38 P39 S41 F46 N47	V38-M43 HydrophobicContact CG1-CB 4.3Å; V38-M43 HydrophobicContact CG1-SD 4.38Å; P39-M43 PolarHBondContact O-N 2.99Å; S41-M43 PolarHBondContact O-N 3.35Å; M43-F46 HydrophobicContact CE-CD1 4.27Å; M43-N47 WeakPolarHBondContact O-CB 3.45Å; M43-N47 VanDerWaalsContact O-CG 3.25Å; M43-N47 PolarHBondContact O-N 3.37Å; M43-N47 PolarHBondContact O-OD1 2.72Å
44	K	63.3	Low	59.4	Low	157 Å²	157	110.3 Å²	110.3	68%	0.683	57%	0.57	S	S	*	*	H	α-helix	trans	-69.1	-38.8	172	-79.5	177.2	177.6	-175.3	0	112.8	A40 S41 M42 N47 A48	A40-K44 WeakPolarHBondContact O-CB 3.38Å; A40-K44 VanDerWaalsContact O-CG 3.25Å; A40-K44 WeakPolarHBondContact O-CG 3.29Å; A40-K44 PolarHBondContact O-N 3.21Å; S41-K44 PolarHBondContact O-N 3.13Å; M42-K44 VanDerWaalsContact C-N 3.33Å; M42-K44 PolarHBondContact O-N 3.04Å; K44-N47 PolarHBondContact O-N 3.21Å; K44-A48 WeakPolarHBondContact O-CB 3.43Å; K44-A48 PolarHBondContact O-N 3.42Å
45	Q	61.3	Low	61	Low	134 Å²	134	104.6 Å²	104.6	63%	0.626	56%	0.555	S	S	*	*	H	α-helix	trans	-66.1	-40.6	175	-74.3	172.2	-46.2	0	0	111.4	S41 M42 A48 L49	S41-Q45 WeakPolarHBondContact O-CG 3.35Å; S41-Q45 PolarHBondContact O-N 3.16Å; M42-Q45 PolarHBondContact O-N 3.06Å; Q45-A48 PolarHBondContact O-N 3.19Å; Q45-L49 WeakPolarHBondContact O-CB 3.31Å; Q45-L49 PolarHBondContact O-N 3.44Å
46	F	58.1	Low	62.7	Low	114 Å²	114	100.5 Å²	100.5	50%	0.5	54%	0.538	S	S	.	.	H	α-helix	trans	-61.8	-49.2	173.5	-175.6	-98.1	0	0	0	111.5	M42 M43 A48 L49 M50	M42-F46 WeakPolarHBondContact O-CB 3.33Å; M42-F46 PolarHBondContact O-N 3.31Å; M43-F46 HydrophobicContact CE-CD1 4.27Å; F46-A48 PolarHBondContact O-N 3.46Å; F46-L49 WeakPolarHBondContact O-CB 3.45Å; F46-L49 PolarHBondContact O-N 2.93Å; F46-L49 VanDerWaalsContact O-N 3.12Å; F46-M50 HydrophobicContact CD1-CG 4.17Å; F46-M50 HydrophobicContact CE1-CG 3.81Å; F46-M50 HydrophobicContact CE1-SD 4.35Å; F46-M50 HydrophobicContact CZ-CG 4.08Å; F46-M50 HydrophobicContact CZ-SD 4.05Å; F46-M50 WeakPolarHBondContact O-CG 3.48Å; F46-M50 PolarHBondContact O-N 3.26Å
47	N	64.8	Low	63.7	Low	79 Å²	79	100 Å²	100	42%	0.422	52%	0.523	S	S	.	.	H	α-helix	trans	-60.7	-42.4	176.7	-71.2	8.4	0	0	0	112.2	M43 K44 L49 M50 E51	M43-N47 WeakPolarHBondContact O-CB 3.45Å; M43-N47 VanDerWaalsContact O-CG 3.25Å; M43-N47 PolarHBondContact O-N 3.37Å; M43-N47 PolarHBondContact O-OD1 2.72Å; K44-N47 PolarHBondContact O-N 3.21Å; N47-L49 VanDerWaalsContact C-N 3.3Å; N47-L49 PolarHBondContact O-N 3.39Å; N47-M50 PolarHBondContact O-N 3.47Å; N47-E51 WeakPolarHBondContact O-CG 3.32Å; N47-E51 PolarHBondContact O-N 2.85Å
48	A	70.4	Confident	64.9	Low	42 Å²	42	93.7 Å²	93.7	35%	0.347	50%	0.502	S	S	.	.	H	α-helix	trans	-64.3	-34.1	175.4	0	0	0	0	0	112.6	K44 Q45 F46 M52	K44-A48 WeakPolarHBondContact O-CB 3.43Å; K44-A48 PolarHBondContact O-N 3.42Å; Q45-A48 PolarHBondContact O-N 3.19Å; F46-A48 PolarHBondContact O-N 3.46Å; A48-M52 WeakPolarHBondContact O-CG 3.46Å; A48-M52 PolarHBondContact O-N 3.07Å
49	L	67.6	Low	66.2	Low	102 Å²	102	95.8 Å²	95.8	53%	0.534	51%	0.506	S	S	.	.	H	α-helix	trans	-68.5	-41.2	174.3	-160.5	114.5	0	0	0	111.4	Q45 F46 N47 M52 Q53	Q45-L49 WeakPolarHBondContact O-CB 3.31Å; Q45-L49 PolarHBondContact O-N 3.44Å; F46-L49 WeakPolarHBondContact O-CB 3.45Å; F46-L49 PolarHBondContact O-N 2.93Å; F46-L49 VanDerWaalsContact O-N 3.12Å; N47-L49 VanDerWaalsContact C-N 3.3Å; N47-L49 PolarHBondContact O-N 3.39Å; L49-M52 PolarHBondContact O-N 3.04Å; L49-Q53 WeakPolarHBondContact O-CB 3.46Å; L49-Q53 PolarHBondContact O-N 3.04Å
50	M	78.6	Confident	66.3	Low	72 Å²	72	97.1 Å²	97.1	36%	0.355	51%	0.507	S	S	.	.	H	α-helix	trans	-63.4	-42.5	172.7	-67.3	-57.5	-55.1	0	0	111.9	F46 N47 Q53 E54	F46-M50 HydrophobicContact CD1-CG 4.17Å; F46-M50 HydrophobicContact CE1-CG 3.81Å; F46-M50 HydrophobicContact CE1-SD 4.35Å; F46-M50 HydrophobicContact CZ-CG 4.08Å; F46-M50 HydrophobicContact CZ-SD 4.05Å; F46-M50 WeakPolarHBondContact O-CG 3.48Å; F46-M50 PolarHBondContact O-N 3.26Å; N47-M50 PolarHBondContact O-N 3.47Å; M50-Q53 PolarHBondContact O-N 2.7Å; M50-E54 PolarHBondContact O-N 3.15Å
51	E	72.4	Confident	67.4	Low	138 Å²	138	101 Å²	101	65%	0.645	51%	0.506	S	S	*	.	H	α-helix	trans	-62.8	-42.6	175.7	-75.4	173.5	-174	0	0	112	N47 E54 A55	N47-E51 WeakPolarHBondContact O-CG 3.32Å; N47-E51 PolarHBondContact O-N 2.85Å; E51-E54 PolarHBondContact O-N 2.67Å; E51-A55 WeakPolarHBondContact O-CB 3.29Å; E51-A55 PolarHBondContact O-N 2.79Å
52	M	72.6	Confident	68.3	Low	126 Å²	126	101.7 Å²	101.7	62%	0.621	50%	0.501	S	S	*	.	H	α-helix	trans	-63.7	-39.6	172.8	-73.5	-173.7	-64.5	0	0	112.2	A48 L49 A55 M56	A48-M52 WeakPolarHBondContact O-CG 3.46Å; A48-M52 PolarHBondContact O-N 3.07Å; L49-M52 PolarHBondContact O-N 3.04Å; M52-A55 PolarHBondContact O-N 3.23Å; M52-M56 WeakPolarHBondContact O-CB 3.48Å; M52-M56 PolarHBondContact O-N 2.79Å
53	Q	61.3	Low	69.6	Low	75 Å²	75	99.8 Å²	99.8	35%	0.35	50%	0.495	S	S	.	.	H	α-helix	trans	-68.5	-40.8	178.1	-172	175.1	6.8	0	0	112	L49 M50 M56 F57	L49-Q53 WeakPolarHBondContact O-CB 3.46Å; L49-Q53 PolarHBondContact O-N 3.04Å; M50-Q53 PolarHBondContact O-N 2.7Å; Q53-M56 HydrophobicContact CG-CE 4.48Å; Q53-M56 PolarHBondContact O-N 2.79Å; Q53-F57 HydrophobicContact CG-CD2 3.88Å; Q53-F57 HydrophobicContact CG-CE2 3.56Å; Q53-F57 HydrophobicContact CG-CZ 4.44Å; Q53-F57 WeakPolarHBondContact O-CB 3.24Å; Q53-F57 WeakPolarHBondContact O-CD2 3Å; Q53-F57 WeakPolarHBondContact O-CG 3.41Å; Q53-F57 PolarHBondContact O-N 3.18Å
54	E	66.6	Low	69.5	Low	130 Å²	130	103 Å²	103	61%	0.607	50%	0.503	S	S	*	.	H	α-helix	trans	-66	-38.8	173.2	-75.3	-162.6	169	0	0	112.2	M50 E51 F57 A58	M50-E54 PolarHBondContact O-N 3.15Å; E51-E54 PolarHBondContact O-N 2.67Å; E54-F57 CarbonylContact O-C 3.5Å; E54-F57 PolarHBondContact O-N 3.35Å; E54-A58 WeakPolarHBondContact O-CB 3.34Å; E54-A58 PolarHBondContact O-N 2.99Å
55	A	74.1	Confident	70	Confident	57 Å²	57	100.1 Å²	100.1	47%	0.471	49%	0.491	S	S	.	.	H	α-helix	trans	-61.7	-47.8	173.7	0	0	0	0	0	111.6	E51 M52 F57 A58 E59	E51-A55 WeakPolarHBondContact O-CB 3.29Å; E51-A55 PolarHBondContact O-N 2.79Å; M52-A55 PolarHBondContact O-N 3.23Å; A55-F57 VanDerWaalsContact C-N 3.34Å; A55-F57 PolarHBondContact O-N 2.88Å; A55-A58 WeakPolarHBondContact O-CA 3.37Å; A55-A58 WeakPolarHBondContact O-CB 3.38Å; A55-A58 PolarHBondContact O-N 2.89Å; A55-E59 PolarHBondContact O-N 3.04Å
56	M	73.1	Confident	70.7	Confident	95 Å²	95	97.4 Å²	97.4	47%	0.468	48%	0.481	S	S	.	.	H	α-helix	trans	-59.2	-43.1	174.4	-175.1	-174.4	67.3	0	0	111.7	M52 Q53 A58 E59 M60	M52-M56 WeakPolarHBondContact O-CB 3.48Å; M52-M56 PolarHBondContact O-N 2.79Å; Q53-M56 HydrophobicContact CG-CE 4.48Å; Q53-M56 PolarHBondContact O-N 2.79Å; M56-A58 VanDerWaalsContact C-N 3.3Å; M56-A58 PolarHBondContact O-N 2.76Å; M56-E59 PolarHBondContact O-N 3.3Å; M56-M60 HydrophobicContact CE-CE 4.31Å; M56-M60 HydrophobicContact CG-CE 4.2Å; M56-M60 WeakPolarHBondContact O-CB 3.43Å; M56-M60 WeakPolarHBondContact O-CG 3.33Å; M56-M60 PolarHBondContact O-N 3.29Å
57	F	65.8	Low	71.4	Confident	90 Å²	90	96 Å²	96	40%	0.395	48%	0.479	S	S	.	.	H	α-helix	trans	-67.5	-26.7	173.4	-75.8	-51.5	0	0	0	113.2	Q53 E54 A55 M60 R61	Q53-F57 HydrophobicContact CG-CD2 3.88Å; Q53-F57 HydrophobicContact CG-CE2 3.56Å; Q53-F57 HydrophobicContact CG-CZ 4.44Å; Q53-F57 WeakPolarHBondContact O-CB 3.24Å; Q53-F57 WeakPolarHBondContact O-CD2 3Å; Q53-F57 WeakPolarHBondContact O-CG 3.41Å; Q53-F57 PolarHBondContact O-N 3.18Å; E54-F57 CarbonylContact O-C 3.5Å; E54-F57 PolarHBondContact O-N 3.35Å; A55-F57 VanDerWaalsContact C-N 3.34Å; A55-F57 PolarHBondContact O-N 2.88Å; F57-M60 HydrophobicContact CD1-CE 3.5Å; F57-M60 VanDerWaalsContact CD1-CE 3.5Å; F57-M60 HydrophobicContact CE1-CE 3.86Å; F57-M60 HydrophobicContact CG-CE 4.46Å; F57-R61 WeakPolarHBondContact O-CB 3.45Å; F57-R61 VanDerWaalsContact O-CG 3.28Å; F57-R61 WeakPolarHBondContact O-CG 3.16Å; F57-R61 PolarHBondContact O-N 2.9Å; F57-R61 PolarHBondContact O-NE 3.34Å
58	A	73.4	Confident	71.5	Confident	49 Å²	49	95.4 Å²	95.4	41%	0.405	48%	0.475	S	S	.	.	H	α-helix	trans	-74.6	-42.9	174.6	0	0	0	0	0	111.1	E54 A55 M56 R61 E62	E54-A58 WeakPolarHBondContact O-CB 3.34Å; E54-A58 PolarHBondContact O-N 2.99Å; A55-A58 WeakPolarHBondContact O-CA 3.37Å; A55-A58 WeakPolarHBondContact O-CB 3.38Å; A55-A58 PolarHBondContact O-N 2.89Å; M56-A58 VanDerWaalsContact C-N 3.3Å; M56-A58 PolarHBondContact O-N 2.76Å; A58-R61 PolarHBondContact O-N 2.8Å; A58-E62 PolarHBondContact O-N 3.33Å
59	E	77.3	Confident	71.5	Confident	137 Å²	137	97.7 Å²	97.7	64%	0.64	48%	0.477	S	S	*	.	H	α-helix	trans	-60.8	-51.7	175	-174.6	167.8	-160.9	0	0	111.2	A55 M56 R61 E62 T63	A55-E59 PolarHBondContact O-N 3.04Å; M56-E59 PolarHBondContact O-N 3.3Å; E59-R61 PolarHBondContact O-N 3.17Å; E59-R61 VanDerWaalsContact O-N 3.15Å; E59-E62 PolarHBondContact O-N 2.71Å; E59-T63 PolarHBondContact O-N 3.5Å; E59-T63 PolarHBondContact O-OG1 2.92Å
60	M	66.9	Low	71.6	Confident	93 Å²	93	97.3 Å²	97.3	46%	0.458	47%	0.472	S	S	.	.	H	α-helix	trans	-59.4	-27.1	175.2	-70.9	-167.8	-62.5	0	0	113.6	M56 F57 T63 Y64	M56-M60 HydrophobicContact CE-CE 4.31Å; M56-M60 HydrophobicContact CG-CE 4.2Å; M56-M60 WeakPolarHBondContact O-CB 3.43Å; M56-M60 WeakPolarHBondContact O-CG 3.33Å; M56-M60 PolarHBondContact O-N 3.29Å; F57-M60 HydrophobicContact CD1-CE 3.5Å; F57-M60 VanDerWaalsContact CD1-CE 3.5Å; F57-M60 HydrophobicContact CE1-CE 3.86Å; F57-M60 HydrophobicContact CG-CE 4.46Å; M60-T63 WeakPolarHBondContact CA-OG1 3.45Å; M60-T63 PolarHBondContact O-OG1 2.93Å; M60-T63 VanDerWaalsContact O-OG1 3.12Å; M60-Y64 VanDerWaalsContact O-CB 3.28Å; M60-Y64 WeakPolarHBondContact O-CB 3.48Å; M60-Y64 PolarHBondContact O-N 3.18Å
61	R	75.1	Confident	70.7	Confident	159 Å²	159	99.6 Å²	99.6	60%	0.6	48%	0.483	S	S	*	.	H	α-helix	trans	-79.5	-29.3	174.7	-81.1	177.9	-70.7	-167.4	-0.7	112.9	F57 A58 E59 K65	F57-R61 WeakPolarHBondContact O-CB 3.45Å; F57-R61 VanDerWaalsContact O-CG 3.28Å; F57-R61 WeakPolarHBondContact O-CG 3.16Å; F57-R61 PolarHBondContact O-N 2.9Å; F57-R61 PolarHBondContact O-NE 3.34Å; A58-R61 PolarHBondContact O-N 2.8Å; E59-R61 PolarHBondContact O-N 3.17Å; E59-R61 VanDerWaalsContact O-N 3.15Å; R61-K65 WeakPolarHBondContact O-CB 3.39Å; R61-K65 PolarHBondContact O-N 3.33Å
62	E	74.1	Confident	70.1	Confident	87 Å²	87	98.3 Å²	98.3	41%	0.407	48%	0.48	S	S	.	.	H	α-helix	trans	-82.6	-32.3	172.3	-71.1	-60.3	143.8	0	0	113	A58 E59 K65 N66	A58-E62 PolarHBondContact O-N 3.33Å; E59-E62 PolarHBondContact O-N 2.71Å; E62-K65 PolarHBondContact O-N 2.89Å; E62-K65 IonicContact OE1-NZ 3.36Å; E62-K65 PolarHBondContact OE1-NZ 3.06Å; E62-K65 IonicContact OE2-NZ 2.76Å; E62-K65 PolarHBondContact OE2-NZ 2.94Å; E62-N66 WeakPolarHBondContact O-CB 3.05Å; E62-N66 PolarHBondContact O-N 3.07Å; E62-N66 PolarHBondContact O-ND2 2.91Å; E62-N66 VanDerWaalsContact O-ND2 3.08Å
63	T	77.2	Confident	69.2	Low	66 Å²	66	98.6 Å²	98.6	41%	0.405	48%	0.484	S	S	.	.	H	α-helix	trans	-62	-56.9	170.8	55.9	0	0	0	0	110.3	E59 M60 K65 N66 D67	E59-T63 PolarHBondContact O-N 3.5Å; E59-T63 PolarHBondContact O-OG1 2.92Å; M60-T63 WeakPolarHBondContact CA-OG1 3.45Å; M60-T63 PolarHBondContact O-OG1 2.93Å; M60-T63 VanDerWaalsContact O-OG1 3.12Å; T63-K65 PolarHBondContact O-N 2.89Å; T63-K65 VanDerWaalsContact O-N 3.11Å; T63-N66 CarbonylContact O-C 3.59Å; T63-N66 WeakPolarHBondContact O-CA 3.44Å; T63-N66 WeakPolarHBondContact O-CB 3.48Å; T63-N66 PolarHBondContact O-N 3.16Å; T63-D67 PolarHBondContact O-N 3.22Å
64	Y	65.5	Low	68.8	Low	161 Å²	161	102 Å²	102	63%	0.631	50%	0.498	S	S	*	.	H	α-helix	trans	-56.4	-35.2	178.6	-169.2	-112.1	0	0	0	113	M60 I68	M60-Y64 VanDerWaalsContact O-CB 3.28Å; M60-Y64 WeakPolarHBondContact O-CB 3.48Å; M60-Y64 PolarHBondContact O-N 3.18Å; Y64-I68 HydrophobicContact CD1-CD1 3.77Å; Y64-I68 HydrophobicContact CE1-CD1 3.57Å; Y64-I68 HydrophobicContact CG-CD1 4.48Å; Y64-I68 WeakPolarHBondContact O-CB 3.48Å; Y64-I68 VanDerWaalsContact O-CG1 3.25Å; Y64-I68 WeakPolarHBondContact O-CG1 3.32Å; Y64-I68 PolarHBondContact O-N 3.04Å
65	K	73.8	Confident	67.9	Low	96 Å²	96	106.6 Å²	106.6	42%	0.417	51%	0.509	S	S	.	.	H	α-helix	trans	-74.7	-24.2	174.7	175.4	173.9	165.1	-124.6	0	113.5	R61 E62 T63 K69	R61-K65 WeakPolarHBondContact O-CB 3.39Å; R61-K65 PolarHBondContact O-N 3.33Å; E62-K65 PolarHBondContact O-N 2.89Å; E62-K65 IonicContact OE1-NZ 3.36Å; E62-K65 PolarHBondContact OE1-NZ 3.06Å; E62-K65 IonicContact OE2-NZ 2.76Å; E62-K65 PolarHBondContact OE2-NZ 2.94Å; T63-K65 PolarHBondContact O-N 2.89Å; T63-K65 VanDerWaalsContact O-N 3.11Å; K65-K69 WeakPolarHBondContact O-CE 3.17Å; K65-K69 VanDerWaalsContact O-CG 3.26Å; K65-K69 WeakPolarHBondContact O-CG 3.22Å; K65-K69 PolarHBondContact O-N 3.1Å
66	N	75.1	Confident	66.6	Low	77 Å²	77	109 Å²	109	41%	0.412	52%	0.518	S	S	.	.	H	α-helix	trans	-80.5	-39.9	169.7	-70.8	-28.4	0	0	0	111	E62 T63 I68 K69 E70	E62-N66 WeakPolarHBondContact O-CB 3.05Å; E62-N66 PolarHBondContact O-N 3.07Å; E62-N66 PolarHBondContact O-ND2 2.91Å; E62-N66 VanDerWaalsContact O-ND2 3.08Å; T63-N66 CarbonylContact O-C 3.59Å; T63-N66 WeakPolarHBondContact O-CA 3.44Å; T63-N66 WeakPolarHBondContact O-CB 3.48Å; T63-N66 PolarHBondContact O-N 3.16Å; N66-I68 VanDerWaalsContact C-N 3.33Å; N66-I68 PolarHBondContact O-N 2.97Å; N66-K69 CarbonylContact O-C 3.57Å; N66-K69 WeakPolarHBondContact O-CB 3.38Å; N66-K69 PolarHBondContact O-N 2.96Å; N66-K69 VanDerWaalsContact O-N 3.09Å; N66-K69 PolarHBondContact OD1-NZ 2.82Å; N66-E70 WeakPolarHBondContact O-CB 3.4Å; N66-E70 PolarHBondContact O-N 3.34Å
67	D	73.5	Confident	64.9	Low	86 Å²	86	108.6 Å²	108.6	46%	0.46	53%	0.53	S	S	.	.	H	α-helix	trans	-60.8	-42.4	174.2	-55	-30.6	0	0	0	110.9	T63 E70 M71	T63-D67 PolarHBondContact O-N 3.22Å; D67-E70 PolarHBondContact O-N 3.06Å; D67-M71 WeakPolarHBondContact O-CG 3.48Å; D67-M71 PolarHBondContact O-N 3.1Å
68	I	66.8	Low	63.7	Low	66 Å²	66	110.1 Å²	110.1	34%	0.338	55%	0.549	S	S	.	.	H	α-helix	trans	-61.1	-43.5	172	-74.4	167.9	0	0	0	111.7	Y64 N66 E70 M71 L72	Y64-I68 HydrophobicContact CD1-CD1 3.77Å; Y64-I68 HydrophobicContact CE1-CD1 3.57Å; Y64-I68 HydrophobicContact CG-CD1 4.48Å; Y64-I68 WeakPolarHBondContact O-CB 3.48Å; Y64-I68 VanDerWaalsContact O-CG1 3.25Å; Y64-I68 WeakPolarHBondContact O-CG1 3.32Å; Y64-I68 PolarHBondContact O-N 3.04Å; N66-I68 VanDerWaalsContact C-N 3.33Å; N66-I68 PolarHBondContact O-N 2.97Å; I68-E70 VanDerWaalsContact C-N 3.32Å; I68-E70 PolarHBondContact O-N 3.06Å; I68-M71 HydrophobicContact CG1-CE 4.45Å; I68-L72 HydrophobicContact CG2-CD1 3.92Å; I68-L72 WeakPolarHBondContact O-CB 3.26Å; I68-L72 WeakPolarHBondContact O-CD1 3.41Å; I68-L72 VanDerWaalsContact O-CG 3.22Å; I68-L72 WeakPolarHBondContact O-CG 3.1Å; I68-L72 PolarHBondContact O-N 3.08Å
69	K	70.6	Confident	61.7	Low	89 Å²	89	118.6 Å²	118.6	39%	0.387	57%	0.57	S	S	.	*	H	α-helix	trans	-62.9	-40.4	174.3	-70.7	166.1	-153.6	158.3	0	111.3	K65 N66 L72 L73	K65-K69 WeakPolarHBondContact O-CE 3.17Å; K65-K69 VanDerWaalsContact O-CG 3.26Å; K65-K69 WeakPolarHBondContact O-CG 3.22Å; K65-K69 PolarHBondContact O-N 3.1Å; N66-K69 CarbonylContact O-C 3.57Å; N66-K69 WeakPolarHBondContact O-CB 3.38Å; N66-K69 PolarHBondContact O-N 2.96Å; N66-K69 VanDerWaalsContact O-N 3.09Å; N66-K69 PolarHBondContact OD1-NZ 2.82Å; K69-L72 PolarHBondContact O-N 3.44Å; K69-L73 WeakPolarHBondContact O-CB 3.46Å; K69-L73 WeakPolarHBondContact O-CG 3.34Å; K69-L73 PolarHBondContact O-N 2.98Å
70	E	70.3	Confident	60	Low	95 Å²	95	116.8 Å²	116.8	44%	0.444	57%	0.569	S	S	.	*	H	α-helix	trans	-69.1	-39.9	-177.6	-153.6	-140.4	-167.9	0	0	111	N66 D67 I68 L73 K74	N66-E70 WeakPolarHBondContact O-CB 3.4Å; N66-E70 PolarHBondContact O-N 3.34Å; D67-E70 PolarHBondContact O-N 3.06Å; I68-E70 VanDerWaalsContact C-N 3.32Å; I68-E70 PolarHBondContact O-N 3.06Å; E70-L73 PolarHBondContact O-N 2.66Å; E70-K74 HydrophobicContact CG-CD 4.38Å; E70-K74 VanDerWaalsContact O-CB 3.26Å; E70-K74 WeakPolarHBondContact O-CB 3.46Å; E70-K74 VanDerWaalsContact O-CG 3.25Å; E70-K74 WeakPolarHBondContact O-CG 3.47Å; E70-K74 PolarHBondContact O-N 3.3Å; E70-K74 WeakPolarHBondContact OE1-CE 3.48Å; E70-K74 IonicContact OE1-NZ 2.64Å; E70-K74 PolarHBondContact OE1-NZ 2.87Å; E70-K74 WeakPolarHBondContact OE2-CE 3.48Å; E70-K74 IonicContact OE2-NZ 3.23Å; E70-K74 PolarHBondContact OE2-NZ 3.3Å
71	M	59.9	Low	58.6	Low	120 Å²	120	120.7 Å²	120.7	59%	0.591	58%	0.583	S	S	*	*	H	α-helix	trans	-62.4	-39.9	169.7	-74.6	-159.1	-68.7	0	0	112.8	D67 I68 R75	D67-M71 WeakPolarHBondContact O-CG 3.48Å; D67-M71 PolarHBondContact O-N 3.1Å; I68-M71 HydrophobicContact CG1-CE 4.45Å; M71-R75 WeakPolarHBondContact O-CB 3.38Å; M71-R75 PolarHBondContact O-N 2.97Å
72	L	58.4	Low	56.5	Low	111 Å²	111	122 Å²	122	58%	0.581	59%	0.588	S	S	*	*	H	α-helix	trans	-67.8	-39.4	176.5	-71.7	167.4	0	0	0	111.9	I68 K69 R75 T76	I68-L72 HydrophobicContact CG2-CD1 3.92Å; I68-L72 WeakPolarHBondContact O-CB 3.26Å; I68-L72 WeakPolarHBondContact O-CD1 3.41Å; I68-L72 VanDerWaalsContact O-CG 3.22Å; I68-L72 WeakPolarHBondContact O-CG 3.1Å; I68-L72 PolarHBondContact O-N 3.08Å; K69-L72 PolarHBondContact O-N 3.44Å; L72-R75 PolarHBondContact O-N 3.15Å; L72-T76 PolarHBondContact O-OG1 3.18Å
73	L	53.6	Low	54.9	Low	132 Å²	132	122.9 Å²	122.9	69%	0.691	60%	0.595	S	S	*	*	H	α-helix	trans	-65.1	-47.9	172.4	-78.1	161.9	0	0	0	111.4	K69 E70 R75 T76	K69-L73 WeakPolarHBondContact O-CB 3.46Å; K69-L73 WeakPolarHBondContact O-CG 3.34Å; K69-L73 PolarHBondContact O-N 2.98Å; E70-L73 PolarHBondContact O-N 2.66Å; L73-R75 PolarHBondContact O-N 3.37Å; L73-T76 PolarHBondContact O-N 3.1Å
74	K	53.8	Low	53	Low	147 Å²	147	126.3 Å²	126.3	64%	0.639	61%	0.606	S	S	*	*	H	α-helix	trans	-61.3	-23.7	177	-76.6	172.4	174.4	170.6	0	113.5	E70	E70-K74 HydrophobicContact CG-CD 4.38Å; E70-K74 VanDerWaalsContact O-CB 3.26Å; E70-K74 WeakPolarHBondContact O-CB 3.46Å; E70-K74 VanDerWaalsContact O-CG 3.25Å; E70-K74 WeakPolarHBondContact O-CG 3.47Å; E70-K74 PolarHBondContact O-N 3.3Å; E70-K74 WeakPolarHBondContact OE1-CE 3.48Å; E70-K74 IonicContact OE1-NZ 2.64Å; E70-K74 PolarHBondContact OE1-NZ 2.87Å; E70-K74 WeakPolarHBondContact OE2-CE 3.48Å; E70-K74 IonicContact OE2-NZ 3.23Å; E70-K74 PolarHBondContact OE2-NZ 3.3Å
75	R	46.7	Very low	51.8	Low	225 Å²	225	127.2 Å²	127.2	85%	0.849	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-4.6	173.3	-95.8	-175.5	168.2	174.1	-2.2	115.2	M71 L72 L73	M71-R75 WeakPolarHBondContact O-CB 3.38Å; M71-R75 PolarHBondContact O-N 2.97Å; L72-R75 PolarHBondContact O-N 3.15Å; L73-R75 PolarHBondContact O-N 3.37Å
76	T	47.9	Very low	50.1	Low	109 Å²	109	131.4 Å²	131.4	67%	0.669	63%	0.63	S	S	*	*			trans	-109.7	68	-167.4	-51.4	0	0	0	0	113.6	L72 L73	L72-T76 PolarHBondContact O-OG1 3.18Å; L73-T76 PolarHBondContact O-N 3.1Å
77	A	37.3	Very low	48.4	Very low	86 Å²	86	133.6 Å²	133.6	71%	0.711	64%	0.64	S	S	*	*			trans	-160	150.1	166.4	0	0	0	0	0	111.6
78	P	41	Very low	46.7	Very low	122 Å²	122	133 Å²	133	79%	0.792	65%	0.654	S	S	*	*	S	Bend	cis	-131.8	49	-13.1	39.1	-20.4	0	0	0	113.1
79	W	31.7	Very low	45.5	Very low	226 Å²	226	138.8 Å²	138.8	86%	0.856	68%	0.68	S	S	*	*	S	Bend	trans	-84.9	-41.9	-177.1	-166.9	-0.4	0	0	0	114.1	K81 R82	W79-K81 VanDerWaalsContact C-N 3.28Å; W79-K81 PolarHBondContact O-N 3.45Å; W79-K81 VanDerWaalsContact O-N 3.11Å; W79-R82 PolarHBondContact O-N 2.84Å
80	V	40.7	Very low	43.8	Very low	99 Å²	99	141.8 Å²	141.8	60%	0.6	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-53.2	-40.2	-170.2	-176.9	0	0	0	0	113.4	R82 L83	V80-R82 PolarHBondContact O-N 3.47Å; V80-L83 PolarHBondContact O-N 3.14Å
81	K	36.6	Very low	41.9	Very low	175 Å²	175	145.1 Å²	145.1	76%	0.761	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-58.1	-15.8	179.9	-72.5	-167.2	173.3	-170.4	0	115.4	W79	W79-K81 VanDerWaalsContact C-N 3.28Å; W79-K81 PolarHBondContact O-N 3.45Å; W79-K81 VanDerWaalsContact O-N 3.11Å
82	R	32	Very low	40.4	Very low	186 Å²	186	142.5 Å²	142.5	70%	0.702	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-92.9	-3.1	179.1	-179.9	167.5	-86.8	-157	-3.9	113.8	W79 V80	W79-R82 PolarHBondContact O-N 2.84Å; V80-R82 PolarHBondContact O-N 3.47Å
83	L	40	Very low	39	Very low	106 Å²	106	145.4 Å²	145.4	56%	0.555	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	-41.3	-178.3	-163.8	64.1	0	0	0	112.9	V80 E85 R86 I87	V80-L83 PolarHBondContact O-N 3.14Å; L83-E85 PolarHBondContact O-N 2.88Å; L83-R86 PolarHBondContact O-N 2.9Å; L83-R86 VanDerWaalsContact O-N 3.11Å; L83-I87 HydrophobicContact CG-CD1 4.41Å
84	E	38.5	Very low	37.9	Very low	138 Å²	138	143.6 Å²	143.6	65%	0.645	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-65.5	-35.1	-176.7	-66.1	172.1	130.7	0	0	112.8	R86 I87	E84-R86 PolarHBondContact O-N 3.06Å; E84-I87 PolarHBondContact O-N 3.17Å
85	E	40.6	Very low	36.6	Very low	180 Å²	180	144.2 Å²	144.2	84%	0.841	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-62.8	-7.5	173.7	-69.6	-174	142.2	0	0	114.4	L83	L83-E85 PolarHBondContact O-N 2.88Å
86	R	36.8	Very low	35.8	Very low	185 Å²	185	138.7 Å²	138.7	70%	0.698	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-112	-5	-175	-148.5	-174.7	-53.3	-143.6	-1.5	115	L83 E84	L83-R86 PolarHBondContact O-N 2.9Å; L83-R86 VanDerWaalsContact O-N 3.11Å; E84-R86 PolarHBondContact O-N 3.06Å
87	I	39.9	Very low	34.8	Very low	123 Å²	123	140.2 Å²	140.2	63%	0.631	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	-20.8	-175.6	-61.9	176.6	0	0	0	111.6	L83 E84 Q89	L83-I87 HydrophobicContact CG-CD1 4.41Å; E84-I87 PolarHBondContact O-N 3.17Å; I87-Q89 PolarHBondContact O-N 2.93Å
88	G	38.6	Very low	34.2	Very low	74 Å²	74	145 Å²	145	76%	0.763	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	23.7	179	0	0	0	0	0	116.8
89	Q	41.5	Very low	34	Very low	186 Å²	186	144.2 Å²	144.2	87%	0.869	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.3	36.3	-176.6	-72.1	-161.9	-27.3	0	0	115	I87	I87-Q89 PolarHBondContact O-N 2.93Å
90	Q	35.3	Very low	33.8	Very low	153 Å²	153	141.8 Å²	141.8	72%	0.715	73%	0.731	S	S	*	*	S	Bend	trans	-148.7	138	158.8	-107.4	-179.8	-75.2	0	0	111.8
91	E	28.9	Very low	33.7	Very low	164 Å²	164	142.7 Å²	142.7	77%	0.766	74%	0.739	S	S	*	*			trans	46.1	122.9	155	-69.2	140	-133.6	0	0	119.6
92	G	29.6	Very low	33.3	Very low	66 Å²	66	137.6 Å²	137.6	68%	0.68	74%	0.736	S	S	*	*			cis	105.9	105.2	-0.2	0	0	0	0	0	114.4
93	D	27.7	Very low	33	Very low	171 Å²	171	136.1 Å²	136.1	91%	0.914	74%	0.737	S	S	*	*			trans	72	164	160.2	-58.7	-27.5	0	0	0	122
94	A	30.6	Very low	32.6	Very low	95 Å²	95	138.7 Å²	138.7	79%	0.785	74%	0.743	S	S	*	*			trans	89.5	64.8	159.7	0	0	0	0	0	122.2
95	D	27.2	Very low	32.2	Very low	159 Å²	159	137 Å²	137	85%	0.85	74%	0.742	S	S	*	*				35.6	152.1	112.6	-106.4	-41.7	0	0	0	126.5
96	S	30	Very low	31.7	Very low	109 Å²	109	136 Å²	136	76%	0.762	74%	0.738	S	S	*	*			trans	72.6	168.5	149.9	-65.1	0	0	0	0	123
97	E	27.1	Very low	31.3	Very low	142 Å²	142	135.5 Å²	135.5	66%	0.664	74%	0.743	S	S	*	*				-159.9	134.8	-66.5	-147.6	-144.9	151.4	0	0	112.7
98	R	23.5	Very low	30.9	Very low	186 Å²	186	138.2 Å²	138.2	70%	0.702	75%	0.753	S	S	*	*			trans	60	-174.3	147.6	-98.8	-159.6	-176.5	126.7	-6.5	119.9
99	P	38.3	Very low	30.4	Very low	105 Å²	105	139 Å²	139	68%	0.682	75%	0.747	S	S	*	*			cis	-135.4	144.5	0.2	33.7	-12.5	0	0	0	120
100	K	27.1	Very low	29.8	Very low	176 Å²	176	135.8 Å²	135.8	77%	0.765	75%	0.745	S	S	*	*			trans	64.3	169	134.3	-67	-178.1	179.2	179.1	0	120.7
101	P	37.6	Very low	29.4	Very low	118 Å²	118	131.6 Å²	131.6	77%	0.766	74%	0.743	S	S	*	*			cis	-126.3	161.9	-2.8	39.7	-25.3	0	0	0	117.4
102	G	27.8	Very low	29.4	Very low	67 Å²	67	129.7 Å²	129.7	69%	0.691	74%	0.743	S	S	*	*			trans	82.5	141.7	141.2	0	0	0	0	0	118.4
103	E	27.1	Very low	29.3	Very low	156 Å²	156	133.3 Å²	133.3	73%	0.729	75%	0.747	S	S	*	*			cis	-172.9	152	-3.6	-143.4	147.5	120.1	0	0	107.3
104	K	30.9	Very low	29.6	Very low	159 Å²	159	134 Å²	134	69%	0.691	74%	0.744	S	S	*	*			cis	-164.2	171.2	5.2	-136.2	170.9	-162.8	143	0	109.2
105	V	30.5	Very low	29.5	Very low	103 Å²	103	135.6 Å²	135.6	62%	0.624	74%	0.74	S	S	*	*			trans	56.9	129.9	141.7	168.4	0	0	0	0	119.9
106	E	29.4	Very low	29.7	Very low	160 Å²	160	133.1 Å²	133.1	75%	0.748	73%	0.73	S	S	*	*			cis	-176.3	176.7	-20.3	-121.8	95.3	-98.1	0	0	103.6
107	E	29.6	Very low	29.9	Very low	173 Å²	173	135.8 Å²	135.8	81%	0.808	73%	0.731	S	S	*	*			cis	-142.8	160.6	6.7	-102	164.1	171.2	0	0	105.5
108	E	29.7	Very low	30	Very low	181 Å²	181	136.3 Å²	136.3	85%	0.846	74%	0.738	S	S	*	*				66	139.4	64.4	-65.2	-155.7	-155	0	0	116.7
109	S	28.6	Very low	30.3	Very low	91 Å²	91	134.7 Å²	134.7	64%	0.636	74%	0.743	S	S	*	*			cis	-163.3	161.2	-8.5	59.7	0	0	0	0	115.3
110	S	29.7	Very low	29.8	Very low	117 Å²	117	135.9 Å²	135.9	82%	0.818	75%	0.748	S	S	*	*			trans	49	141.8	139.1	63.9	0	0	0	0	126.8
111	G	27	Very low	29.8	Very low	65 Å²	65	133.6 Å²	133.6	67%	0.67	75%	0.748	S	S	*	*			trans	130.1	114.5	155.4	0	0	0	0	0	114.2
112	T	28.5	Very low	29.3	Very low	125 Å²	125	139.1 Å²	139.1	77%	0.767	75%	0.754	S	S	*	*				72.8	130.6	52.3	68.9	0	0	0	0	115.4
113	D	27.6	Very low	29.4	Very low	142 Å²	142	141.3 Å²	141.3	76%	0.759	76%	0.759	S	S	*	*			cis	-166	179.6	-13.7	-92.1	-37.6	0	0	0	109.7
114	E	33	Very low	29.4	Very low	184 Å²	184	143.7 Å²	143.7	86%	0.86	77%	0.766	S	S	*	*			trans	71.4	142.6	163.6	-71	-176.4	-175.5	0	0	119
115	D	30.4	Very low	29.4	Very low	130 Å²	130	146.2 Å²	146.2	70%	0.695	78%	0.778	S	S	*	*			cis	-155.1	178.1	-6.6	-153.8	10.8	0	0	0	114.9
116	T	31.2	Very low	29.2	Very low	106 Å²	106	144.6 Å²	144.6	65%	0.65	78%	0.781	S	S	*	*			trans	-9.4	154	163.4	51.4	0	0	0	0	121.2
117	E	32.6	Very low	29.1	Very low	166 Å²	166	144.7 Å²	144.7	78%	0.776	79%	0.787	S	S	*	*			cis	-163.6	140.2	5.1	-133.6	-178.4	-150.2	0	0	110.7
118	N	30.5	Very low	29	Very low	153 Å²	153	143.8 Å²	143.8	82%	0.818	79%	0.787	S	S	*	*			trans	175.5	168.5	136.1	-106.7	-79.6	0	0	0	116.2
119	L	28.9	Very low	29	Very low	152 Å²	152	140.1 Å²	140.1	80%	0.796	77%	0.773	S	S	*	*			trans	-88.4	170.6	-161.2	-65.5	162.2	0	0	0	117.3
120	T	28.4	Very low	29.1	Very low	129 Å²	129	144.5 Å²	144.5	79%	0.791	78%	0.776	S	S	*	*			trans	85.8	87.6	160.1	61.2	0	0	0	0	122.1
121	V	27.6	Very low	29.2	Very low	128 Å²	128	147.5 Å²	147.5	78%	0.776	77%	0.774	S	S	*	*				56.9	118	116.1	176.4	0	0	0	0	121.4
122	R	27.1	Very low	29.2	Very low	235 Å²	235	152.5 Å²	152.5	89%	0.887	78%	0.78	S	S	*	*			trans	65.6	118.3	153.5	-82.5	178.4	173.4	-167.1	-0.4	118.1
123	S	29.2	Very low	29.1	Very low	112 Å²	112	152.9 Å²	152.9	78%	0.783	78%	0.778	S	S	*	*				-177.7	122.1	55.4	-75.8	0	0	0	0	113.9
124	K	27.7	Very low	29.1	Very low	206 Å²	206	155.9 Å²	155.9	90%	0.896	78%	0.784	S	S	*	*			trans	19.6	133.2	151.4	-70.2	-175.9	175.3	179.4	0	122.5
125	K	29.9	Very low	28.7	Very low	213 Å²	213	151.6 Å²	151.6	93%	0.926	78%	0.78	S	S	*	*			trans	82.1	131.9	140.7	-160.1	-175.4	-172.8	-171.1	0	116.2
126	G	27.6	Very low	28.4	Very low	68 Å²	68	154.8 Å²	154.8	70%	0.701	79%	0.788	S	S	*	*			cis	159.2	129.5	-4.9	0	0	0	0	0	109.9
127	N	26.9	Very low	28.8	Very low	162 Å²	162	154.5 Å²	154.5	87%	0.866	79%	0.788	S	S	*	*			trans	-151.5	139.8	-159.2	-136.1	4.9	0	0	0	112.9
128	L	27.7	Very low	28.4	Very low	155 Å²	155	153.6 Å²	153.6	81%	0.812	79%	0.787	S	S	*	*			trans	178.5	144	160.4	-117.7	120.1	0	0	0	108
129	D	29.1	Very low	28	Very low	104 Å²	104	152.7 Å²	152.7	56%	0.556	78%	0.783	S	S	*	*			cis	-168.5	168	-22.9	-172.3	8.8	0	0	0	107.7
130	R	31.2	Very low	27.8	Very low	182 Å²	182	150.4 Å²	150.4	69%	0.687	78%	0.779	S	S	*	*			trans	71.8	145.1	166	-62.9	138.9	-147.9	-171.1	13.2	117.7
131	K	30.3	Very low	27.6	Very low	180 Å²	180	148.6 Å²	148.6	78%	0.783	77%	0.772	S	S	*	*			cis	-167.7	138.1	-22.5	-118.1	176.7	-168.8	176	0	108.4
132	Q	28.6	Very low	27.4	Very low	171 Å²	171	150.7 Å²	150.7	80%	0.799	77%	0.773	S	S	*	*				-163.8	134.5	112.7	-110.8	-174.2	-61	0	0	113.6
133	D	26.7	Very low	27.2	Very low	133 Å²	133	145 Å²	145	71%	0.711	76%	0.764	S	S	*	*			trans	60.3	151.5	150.5	-55.9	-29.8	0	0	0	124.4
134	K	27.3	Very low	27.1	Very low	204 Å²	204	146.8 Å²	146.8	89%	0.887	76%	0.764	S	S	*	*			trans	-100.3	169.4	-177.3	-55.8	171.6	-179.2	173.5	0	107.3
135	A	24.1	Very low	27.3	Very low	95 Å²	95	146.4 Å²	146.4	79%	0.785	76%	0.762	S	S	*	*			cis	-156.5	164.2	24.6	0	0	0	0	0	114.8
136	K	24	Very low	27	Very low	196 Å²	196	141.8 Å²	141.8	85%	0.852	76%	0.757	S	S	*	*			trans	-68.6	172.4	154	-99.9	-178.6	179.9	178.8	0	110.1
137	P	39.6	Very low	26.9	Very low	101 Å²	101	143.8 Å²	143.8	66%	0.656	76%	0.76	S	S	*	*			cis	-144.1	170.4	28.1	40	-19.3	0	0	0	118.8
138	L	23.9	Very low	26.9	Very low	147 Å²	147	143 Å²	143	77%	0.77	76%	0.755	S	S	*	*			trans	42	135	138	-61.6	167.3	0	0	0	119.6
139	N	22.2	Very low	26.9	Very low	134 Å²	134	141.9 Å²	141.9	72%	0.717	75%	0.745	S	S	*	*				-168	171.9	57.5	-122.6	-26.4	0	0	0	115.3
140	S	24.5	Very low	26.8	Very low	103 Å²	103	146.2 Å²	146.2	72%	0.72	75%	0.754	S	S	*	*			trans	6.8	150.2	141	-95.6	0	0	0	0	121
141	S	23.7	Very low	26.5	Very low	91 Å²	91	144 Å²	144	64%	0.636	76%	0.761	S	S	*	*			cis	179.8	158.6	-3.2	41.6	0	0	0	0	112.4
142	H	23.9	Very low	26.2	Very low	173 Å²	173	138.9 Å²	138.9	80%	0.801	76%	0.758	S	S	*	*			trans	54.1	128.1	147.5	-83	-82.8	0	0	0	123.2
143	V	24	Very low	26	Very low	116 Å²	116	135.5 Å²	135.5	70%	0.703	76%	0.76	S	S	*	*			trans	88.8	110.8	132.7	173.8	0	0	0	0	122
144	L	27.2	Very low	26	Very low	148 Å²	148	133.6 Å²	133.6	78%	0.775	76%	0.763	S	S	*	*			trans	43.8	118.7	138.4	-58.2	175.2	0	0	0	124.1
145	K	31.1	Very low	26	Very low	199 Å²	199	130.2 Å²	130.2	87%	0.865	75%	0.754	S	S	*	*			trans	40.8	111.4	130.8	-70.1	-172	175.1	-177.3	0	121.1
146	S	22.8	Very low	26.1	Very low	116 Å²	116	136.3 Å²	136.3	81%	0.811	76%	0.756	S	S	*	*				-159.7	179.1	129.5	60.2	0	0	0	0	108.2
147	S	27	Very low	26.1	Very low	109 Å²	109	130.3 Å²	130.3	76%	0.762	75%	0.75	S	S	*	*				-179	131.3	-57.2	-84.1	0	0	0	0	107
148	L	25.6	Very low	25.5	Very low	147 Å²	147	133.9 Å²	133.9	77%	0.77	76%	0.758	S	S	*	*			trans	71.9	106.5	143.1	-155.7	79.3	0	0	0	121.9
149	E	27.3	Very low	25.6	Very low	130 Å²	130	135.5 Å²	135.5	61%	0.607	76%	0.761	S	S	*	*			trans	57.4	174.2	138.9	-54	-174	101.7	0	0	121.1
150	R	28.7	Very low	25.7	Very low	195 Å²	195	132.7 Å²	132.7	74%	0.736	76%	0.764	S	S	*	*			cis	-150.6	173	-6.2	-144.9	179.4	-79.7	161.1	2.3	112.2
151	V	23.1	Very low	25.8	Very low	137 Å²	137	138.9 Å²	138.9	83%	0.83	77%	0.771	S	S	*	*			trans	96.8	129.9	157.9	-165.1	0	0	0	0	114.4
152	G	24.5	Very low	25.8	Very low	71 Å²	71	140 Å²	140	73%	0.732	78%	0.778	S	S	*	*			cis	135.3	150.7	-0.8	0	0	0	0	0	111.7
153	A	25.5	Very low	25.8	Very low	101 Å²	101	134.8 Å²	134.8	84%	0.835	77%	0.77	S	S	*	*			cis	-168.6	-169.8	-6.6	0	0	0	0	0	109.8
154	A	26.3	Very low	25.8	Very low	93 Å²	93	138 Å²	138	77%	0.769	78%	0.778	S	S	*	*			trans	75.2	154.7	170.8	0	0	0	0	0	117.2
155	L	28.1	Very low	25.9	Very low	133 Å²	133	135.9 Å²	135.9	70%	0.696	78%	0.776	S	S	*	*			cis	-160.3	-174.6	-17.8	-114.1	176.4	0	0	0	111.7
156	R	25.7	Very low	25.7	Very low	223 Å²	223	131.5 Å²	131.5	84%	0.842	77%	0.77	S	S	*	*			trans	-41.4	161.4	166.7	-65.6	169.1	-100.9	-90.9	1.8	114.2
157	G	24.5	Very low	25.9	Very low	69 Å²	69	131 Å²	131	71%	0.711	77%	0.766	S	S	*	*			cis	138.1	174	8.9	0	0	0	0	0	111.6
158	E	26	Very low	25.8	Very low	176 Å²	176	133.3 Å²	133.3	82%	0.822	77%	0.769	S	S	*	*			trans	89.3	143.2	167	-56.8	-161.2	156.4	0	0	123.3
159	H	25.6	Very low	26	Very low	181 Å²	181	131.6 Å²	131.6	84%	0.838	77%	0.765	S	S	*	*			trans	48.4	143.6	149.9	-73.3	-59.8	0	0	0	124.5
160	G	25.2	Very low	25.9	Very low	75 Å²	75	132 Å²	132	77%	0.773	77%	0.771	S	S	*	*			trans	-178.1	-3.2	165.6	0	0	0	0	0	126.5
161	R	25.7	Very low	25.9	Very low	233 Å²	233	132.3 Å²	132.3	88%	0.879	77%	0.772	S	S	*	*			trans	31	111.4	160.5	-180	-176.2	-100.9	-92.2	2.2	121.2
162	C	23.5	Very low	26.2	Very low	116 Å²	116	135.2 Å²	135.2	78%	0.784	77%	0.774	S	S	*	*				59.4	134.6	125.3	-156.8	0	0	0	0	124.4
163	G	24.2	Very low	26.3	Very low	62 Å²	62	139.2 Å²	139.2	64%	0.639	78%	0.778	S	S	*	*			trans	168.5	123.1	161.6	0	0	0	0	0	107.6
164	E	25.1	Very low	26.4	Very low	185 Å²	185	139 Å²	139	86%	0.864	78%	0.776	S	S	*	*				62.6	134.8	60.1	-64.6	-173.1	167.5	0	0	114.2
165	S	28.8	Very low	26.4	Very low	103 Å²	103	141.7 Å²	141.7	72%	0.72	78%	0.778	S	S	*	*			cis	-169.7	170.1	-18.8	62.9	0	0	0	0	111.1
166	S	27.3	Very low	26.2	Very low	106 Å²	106	144.3 Å²	144.3	74%	0.741	79%	0.787	S	S	*	*			trans	73.3	160.8	148.4	-153.9	0	0	0	0	122.1
167	S	26	Very low	26.4	Very low	106 Å²	106	143.1 Å²	143.1	74%	0.741	79%	0.787	S	S	*	*			trans	69	156.5	149.1	55.9	0	0	0	0	121.8
168	L	26	Very low	27.1	Very low	157 Å²	157	145.4 Å²	145.4	82%	0.822	79%	0.79	S	S	*	*			cis	-172.9	140.3	-26.5	-177.2	72.1	0	0	0	110.4
169	V	28.7	Very low	27	Very low	111 Å²	111	141 Å²	141	67%	0.673	78%	0.784	S	S	*	*			trans	20.8	126.8	154.7	-177.3	0	0	0	0	122.4
170	D	26.1	Very low	26.9	Very low	139 Å²	139	144.2 Å²	144.2	74%	0.743	79%	0.788	S	S	*	*				179.4	150.1	117.1	-102.3	-29.1	0	0	0	108.9
171	R	29	Very low	26.9	Very low	201 Å²	201	149 Å²	149	76%	0.758	79%	0.791	S	S	*	*			cis	118.7	115.1	4.6	-176.5	-167.4	-176.5	142.9	5	112.4
172	K	27.9	Very low	27.3	Very low	198 Å²	198	142.9 Å²	142.9	86%	0.861	78%	0.781	S	S	*	*			trans	178.8	166.5	133.4	-100.6	160.4	-174	172.2	0	113.9
173	N	26.9	Very low	27.3	Very low	156 Å²	156	142.4 Å²	142.4	83%	0.834	78%	0.779	S	S	*	*			trans	-110.5	155.3	-168	-51.7	-4.3	0	0	0	112.9
174	A	27.1	Very low	27.1	Very low	96 Å²	96	144 Å²	144	79%	0.793	78%	0.78	S	S	*	*				170.4	128	127.8	0	0	0	0	0	108.1
175	N	26.5	Very low	27	Very low	149 Å²	149	143.8 Å²	143.8	80%	0.797	78%	0.778	S	S	*	*			cis	81.9	100.7	39.9	-175.2	77.9	0	0	0	114.9
176	E	25.4	Very low	26.9	Very low	189 Å²	189	143.1 Å²	143.1	88%	0.883	77%	0.774	S	S	*	*			trans	-164.8	154.8	147.8	-117.1	164.9	-145.8	0	0	114.5
177	K	29.2	Very low	26.7	Very low	197 Å²	197	146.7 Å²	146.7	86%	0.857	78%	0.779	S	S	*	*			trans	-148.5	154.4	170.8	-110.8	-173.3	179.5	-177.5	0	104.1
178	P	38.3	Very low	26.6	Very low	117 Å²	117	150.2 Å²	150.2	76%	0.76	78%	0.784	S	S	*	*				-161.1	-169.8	54.9	42.7	-19.7	0	0	0	118.2
179	A	24.2	Very low	26.5	Very low	84 Å²	84	149.8 Å²	149.8	69%	0.694	78%	0.782	S	S	*	*			trans	89.4	127.3	134.5	0	0	0	0	0	125.1
180	R	23.6	Very low	26.7	Very low	248 Å²	248	149.5 Å²	149.5	94%	0.936	78%	0.783	S	S	*	*			trans	87.2	112	135.6	-83.2	-178.3	172.4	169.5	-2.2	124
181	E	25.2	Very low	26.6	Very low	177 Å²	177	149.7 Å²	149.7	83%	0.827	78%	0.783	S	S	*	*			trans	-34.6	167.5	138.3	-100.7	170.8	-113.7	0	0	117.6
182	P	34	Very low	26.3	Very low	104 Å²	104	149.4 Å²	149.4	68%	0.675	79%	0.787	S	S	*	*				-156.8	173.9	52.8	43.9	-22.9	0	0	0	121.9
183	S	22.7	Very low	26.2	Very low	106 Å²	106	144.3 Å²	144.3	74%	0.741	78%	0.782	S	S	*	*			trans	69.8	154.3	146.5	70.7	0	0	0	0	120
184	C	21.4	Very low	26.2	Very low	96 Å²	96	143.1 Å²	143.1	65%	0.649	78%	0.783	S	S	*	*			cis	-159.9	151.4	-2.5	-129.9	0	0	0	0	111.8
185	Q	23.4	Very low	26.2	Very low	179 Å²	179	148.1 Å²	148.1	84%	0.836	79%	0.787	S	S	*	*			trans	50.6	152.9	137.5	-75.6	164.7	-25.5	0	0	121.6
186	S	24.9	Very low	26.1	Very low	90 Å²	90	150.7 Å²	150.7	63%	0.629	79%	0.794	S	S	*	*			cis	-165.3	148	2.3	43.7	0	0	0	0	111.8
187	E	24.3	Very low	26.1	Very low	180 Å²	180	147.1 Å²	147.1	84%	0.841	79%	0.79	S	S	*	*			trans	56.7	162	145.4	-70.5	157.4	-168	0	0	119.1
188	E	23.8	Very low	26.6	Very low	181 Å²	181	143 Å²	143	85%	0.846	78%	0.783	S	S	*	*			cis	-149.5	168.7	15.7	-150.6	172.2	-156	0	0	111.3
189	N	24.1	Very low	26.2	Very low	147 Å²	147	143.3 Å²	143.3	79%	0.786	79%	0.785	S	S	*	*			trans	-116.1	156.8	172.5	-120.7	-36.4	0	0	0	107.3
190	P	33.3	Very low	26.2	Very low	106 Å²	106	148.6 Å²	148.6	69%	0.688	80%	0.796	S	S	*	*				-166.3	170.3	64.1	44.5	-22	0	0	0	121.1
191	L	22.8	Very low	26.3	Very low	143 Å²	143	140.7 Å²	140.7	75%	0.749	79%	0.791	S	S	*	*			trans	62.3	130.8	136.6	-71.8	165.5	0	0	0	126
192	K	22.8	Very low	26.2	Very low	195 Å²	195	136.1 Å²	136.1	85%	0.848	79%	0.792	S	S	*	*			trans	90	135	134.3	-83.8	174.8	176.8	-178.3	0	122.7
193	A	26.5	Very low	26.2	Very low	90 Å²	90	136.7 Å²	136.7	74%	0.744	81%	0.805	S	S	*	*			trans	-102.9	177.6	166.3	0	0	0	0	0	111.4
194	P	27.4	Very low	26.2	Very low	132 Å²	132	135 Å²	135	86%	0.857	80%	0.804	S	S	*	*				-141.2	177.1	112.1	38.9	-26.3	0	0	0	115.6
195	K	26.5	Very low	26.5	Very low	201 Å²	201	135.2 Å²	135.2	87%	0.874	81%	0.813	S	S	*	*			trans	-84.6	157.7	-177.5	-50.3	174.5	-179.9	-178.6	0	113.3
196	Q	24.2	Very low	26.5	Very low	202 Å²	202	132.8 Å²	132.8	94%	0.944	81%	0.81	S	S	*	*			trans	-165.4	172.3	136.1	-108	164.9	32	0	0	111.6
197	S	24.8	Very low	26.4	Very low	115 Å²	115	136.4 Å²	136.4	80%	0.804	82%	0.822	S	S	*	*			trans	-128	-158.4	-151.2	69.9	0	0	0	0	114.4
198	P	41.3	Very low	26.3	Very low	109 Å²	109	139.2 Å²	139.2	71%	0.708	83%	0.825	S	S	*	*			trans	-100.8	-173.8	-139.3	43.3	-32.5	0	0	0	115.2
199	P	29.1	Very low	26.3	Very low	125 Å²	125	138.7 Å²	138.7	81%	0.812	83%	0.827	S	S	*	*				-139.7	-178	107.9	40.5	-29.1	0	0	0	115.1
200	E	25.2	Very low	26.4	Very low	195 Å²	195	135.4 Å²	135.4	91%	0.911	82%	0.82	S	S	*	*			trans	-90.5	173.2	-165	-51.5	153.8	99.1	0	0	115.6
201	G	24.8	Very low	26.6	Very low	82 Å²	82	133.4 Å²	133.4	85%	0.845	81%	0.812	S	S	*	*			trans	114.7	113.6	139.2	0	0	0	0	0	117.6
202	G	23.9	Very low	26.9	Very low	81 Å²	81	133.9 Å²	133.9	84%	0.835	82%	0.815	S	S	*	*			trans	153.5	92.4	166	0	0	0	0	0	114.8
203	A	33.1	Very low	27.6	Very low	116 Å²	116	130.4 Å²	130.4	96%	0.959	80%	0.801	S	S	*	*			trans	-73.4	133.4	177	0	0	0	0	0	112.5
204	G	22.9	Very low	28.5	Very low	69 Å²	69	129.2 Å²	129.2	71%	0.711	79%	0.787	S	S	*	*			trans	-153.9	131	173.8	0	0	0	0	0	110.7	T206	G204-T206 PolarHBondContact O-N 3.02Å
205	A	27.1	Very low	29.2	Very low	102 Å²	102	126.6 Å²	126.6	84%	0.843	78%	0.776	S	S	*	*			trans	-76.9	124.7	-166	0	0	0	0	0	113.9
206	T	23.6	Very low	29.9	Very low	128 Å²	128	120.2 Å²	120.2	79%	0.785	76%	0.761	S	S	*	*			trans	-84.9	115.6	172.8	-60.5	0	0	0	0	111	G204	G204-T206 PolarHBondContact O-N 3.02Å
207	L	22.6	Very low	31	Very low	165 Å²	165	114.1 Å²	114.1	86%	0.864	74%	0.738	S	S	*	*			trans	-99	110.4	170	-71.7	175	0	0	0	110.7
208	R	23	Very low	32.2	Very low	239 Å²	239	113 Å²	113	90%	0.902	72%	0.722	S	S	*	*			trans	-76.6	131.6	168.5	-75.2	176.7	166.5	165.6	-4.7	109.9
209	L	24.1	Very low	32.5	Very low	171 Å²	171	110.9 Å²	110.9	90%	0.895	71%	0.705	S	S	*	*			trans	-105.6	103.6	164.5	-86.2	167.4	0	0	0	109.2
210	A	26.3	Very low	33.5	Very low	78 Å²	78	108.5 Å²	108.5	65%	0.645	69%	0.688	S	S	*	*			trans	-72.6	137	165.5	0	0	0	0	0	109.6
211	A	35.8	Very low	34.8	Very low	63 Å²	63	100.9 Å²	100.9	52%	0.521	66%	0.662	S	S	.	*			trans	-106.9	77.3	177.3	0	0	0	0	0	109.8	F213	A211-F213 WeakPolarHBondContact O-CD2 3.24Å; A211-F213 PolarHBondContact O-N 3.13Å
212	D	29.8	Very low	36.3	Very low	153 Å²	153	104.2 Å²	104.2	82%	0.818	65%	0.649	S	S	*	*			trans	-67.5	101.2	-179.8	-65.5	-36.5	0	0	0	111	S214	D212-S214 PolarHBondContact O-N 2.91Å
213	F	38.6	Very low	37.7	Very low	122 Å²	122	106.5 Å²	106.5	54%	0.535	64%	0.638	S	S	.	*			trans	-66.7	124.2	171.5	-70	-80.4	0	0	0	109.7	A211 T217 L218 F319	A211-F213 WeakPolarHBondContact O-CD2 3.24Å; A211-F213 PolarHBondContact O-N 3.13Å; F213-T217 HydrophobicContact CD1-CG2 4.31Å; F213-L218 HydrophobicContact CB-CD2 4.1Å; F213-L218 HydrophobicContact CB-CG 4.26Å; F213-F319 HydrophobicContact CZ-CE1 4.4Å
214	S	44.1	Very low	38.7	Very low	66 Å²	66	107.1 Å²	107.1	46%	0.462	62%	0.616	S	S	.	*			trans	-54.5	145.7	-179.2	80.4	0	0	0	0	111.9	D212 A216 T217 L218	D212-S214 PolarHBondContact O-N 2.91Å; S214-A216 PolarHBondContact O-N 3.23Å; S214-A216 VanDerWaalsContact O-N 3.08Å; S214-T217 WeakPolarHBondContact O-CA 3.38Å; S214-T217 VanDerWaalsContact O-CB 3.27Å; S214-T217 WeakPolarHBondContact O-CB 3.22Å; S214-T217 PolarHBondContact O-N 2.88Å; S214-T217 PolarHBondContact OG-N 3.29Å; S214-T217 PolarHBondContact OG-OG1 3.1Å; S214-L218 PolarHBondContact O-N 3.35Å
215	A	41.8	Very low	40.2	Very low	76 Å²	76	106.9 Å²	106.9	63%	0.628	60%	0.603	S	S	*	*	H	α-helix	trans	-53.8	-34.8	-178.8	0	0	0	0	0	113	T217 L218 D219	A215-T217 VanDerWaalsContact C-N 3.35Å; A215-T217 PolarHBondContact O-N 2.99Å; A215-L218 PolarHBondContact O-N 3.41Å; A215-D219 PolarHBondContact O-N 2.94Å
216	A	41.3	Very low	41.6	Very low	67 Å²	67	108.3 Å²	108.3	55%	0.554	59%	0.592	S	S	*	*	H	α-helix	trans	-63.9	-35.9	174.5	0	0	0	0	0	113	S214 V220	S214-A216 PolarHBondContact O-N 3.23Å; S214-A216 VanDerWaalsContact O-N 3.08Å; A216-V220 WeakPolarHBondContact O-CB 3.4Å; A216-V220 VanDerWaalsContact O-CG2 3.23Å; A216-V220 WeakPolarHBondContact O-CG2 3.28Å; A216-V220 PolarHBondContact O-N 3.06Å
217	T	48.9	Very low	43.2	Very low	75 Å²	75	105.1 Å²	105.1	46%	0.46	57%	0.572	S	S	.	*	H	α-helix	trans	-66.7	-42.3	175.1	-47.4	0	0	0	0	111.3	F213 S214 A215 G221	F213-T217 HydrophobicContact CD1-CG2 4.31Å; S214-T217 WeakPolarHBondContact O-CA 3.38Å; S214-T217 VanDerWaalsContact O-CB 3.27Å; S214-T217 WeakPolarHBondContact O-CB 3.22Å; S214-T217 PolarHBondContact O-N 2.88Å; S214-T217 PolarHBondContact OG-N 3.29Å; S214-T217 PolarHBondContact OG-OG1 3.1Å; A215-T217 VanDerWaalsContact C-N 3.35Å; A215-T217 PolarHBondContact O-N 2.99Å; T217-G221 PolarHBondContact O-N 3.2Å
218	L	49.6	Very low	44.9	Very low	91 Å²	91	99.7 Å²	99.7	48%	0.476	54%	0.542	S	S	.	.	H	α-helix	trans	-68.2	-36.5	177.5	-62.9	175.9	0	0	0	112.2	F213 S214 A215 G221 R222	F213-L218 HydrophobicContact CB-CD2 4.1Å; F213-L218 HydrophobicContact CB-CG 4.26Å; S214-L218 PolarHBondContact O-N 3.35Å; A215-L218 PolarHBondContact O-N 3.41Å; L218-G221 WeakPolarHBondContact O-CA 3.45Å; L218-G221 PolarHBondContact O-N 2.83Å; L218-R222 PolarHBondContact O-N 3.12Å
219	D	47.1	Very low	46.9	Very low	65 Å²	65	95.7 Å²	95.7	35%	0.348	53%	0.527	S	S	.	.	H	α-helix	trans	-74	-37.1	178.6	-149	65.9	0	0	0	112.9	A215 G221 R222 Q223	A215-D219 PolarHBondContact O-N 2.94Å; D219-G221 PolarHBondContact O-N 3.27Å; D219-R222 WeakPolarHBondContact O-CB 3.47Å; D219-R222 PolarHBondContact O-N 3.47Å; D219-R222 VanDerWaalsContact O-N 3.1Å; D219-R222 IonicContact OD1-CZ 2.7Å; D219-R222 VanDerWaalsContact OD1-CZ 3.23Å; D219-R222 IonicContact OD1-NE 3.79Å; D219-R222 PolarHBondContact OD1-NE 3.28Å; D219-R222 IonicContact OD1-NH2 3.63Å; D219-R222 PolarHBondContact OD1-NH2 3.08Å; D219-Q223 WeakPolarHBondContact O-CG 3.44Å; D219-Q223 PolarHBondContact O-N 2.91Å; D219-Q223 PolarHBondContact OD2-NE2 3.04Å
220	V	49.6	Very low	48.7	Very low	75 Å²	75	92.2 Å²	92.2	46%	0.455	51%	0.509	S	S	.	.	H	α-helix	trans	-55.2	-43.6	165.2	165.8	0	0	0	0	110.2	A216 R222 Q223 W224	A216-V220 WeakPolarHBondContact O-CB 3.4Å; A216-V220 VanDerWaalsContact O-CG2 3.23Å; A216-V220 WeakPolarHBondContact O-CG2 3.28Å; A216-V220 PolarHBondContact O-N 3.06Å; V220-R222 PolarHBondContact O-N 3.45Å; V220-Q223 PolarHBondContact O-N 3.44Å; V220-W224 PolarHBondContact O-N 3.26Å
221	G	52.8	Low	49.9	Very low	35 Å²	35	91.3 Å²	91.3	36%	0.361	49%	0.493	S	S	.	.	H	α-helix	trans	-55.3	-44.8	172.8	0	0	0	0	0	113.5	T217 L218 D219 S225	T217-G221 PolarHBondContact O-N 3.2Å; L218-G221 WeakPolarHBondContact O-CA 3.45Å; L218-G221 PolarHBondContact O-N 2.83Å; D219-G221 PolarHBondContact O-N 3.27Å; G221-S225 WeakPolarHBondContact O-CB 3.5Å; G221-S225 PolarHBondContact O-N 3.21Å; G221-S225 PolarHBondContact O-OG 3.07Å
222	R	56.4	Low	51.1	Low	151 Å²	151	95.7 Å²	95.7	57%	0.57	50%	0.5	S	S	*	.	H	α-helix	trans	-63.2	-47.3	175	-77.3	-175.2	-76.8	-96.7	1.9	112.6	L218 D219 V220 S225	L218-R222 PolarHBondContact O-N 3.12Å; D219-R222 WeakPolarHBondContact O-CB 3.47Å; D219-R222 PolarHBondContact O-N 3.47Å; D219-R222 VanDerWaalsContact O-N 3.1Å; D219-R222 IonicContact OD1-CZ 2.7Å; D219-R222 VanDerWaalsContact OD1-CZ 3.23Å; D219-R222 IonicContact OD1-NE 3.79Å; D219-R222 PolarHBondContact OD1-NE 3.28Å; D219-R222 IonicContact OD1-NH2 3.63Å; D219-R222 PolarHBondContact OD1-NH2 3.08Å; V220-R222 PolarHBondContact O-N 3.45Å; R222-S225 WeakPolarHBondContact O-CB 3.49Å; R222-S225 PolarHBondContact O-N 2.86Å
223	Q	52.4	Low	52.9	Low	129 Å²	129	93.7 Å²	93.7	60%	0.603	49%	0.485	S	S	*	.	H	α-helix	trans	-62.7	-46.2	-178.6	-67.4	-179.8	24.2	0	0	111.8	D219 V220 S225	D219-Q223 WeakPolarHBondContact O-CG 3.44Å; D219-Q223 PolarHBondContact O-N 2.91Å; D219-Q223 PolarHBondContact OD2-NE2 3.04Å; V220-Q223 PolarHBondContact O-N 3.44Å; Q223-S225 PolarHBondContact O-N 3.14Å
224	W	55.2	Low	54.1	Low	130 Å²	130	94.7 Å²	94.7	49%	0.492	49%	0.49	S	S	.	.	H	α-helix	trans	-69.4	-30.2	176.4	-73	103.7	0	0	0	113.1	V220 Q226 V227 F228	V220-W224 PolarHBondContact O-N 3.26Å; W224-Q226 PolarHBondContact O-N 3.1Å; W224-Q226 VanDerWaalsContact O-N 3.1Å; W224-V227 HydrophobicContact CE3-CB 4.14Å; W224-V227 HydrophobicContact CE3-CG1 4.2Å; W224-V227 HydrophobicContact CE3-CG2 4.33Å; W224-V227 HydrophobicContact CZ3-CG1 4.3Å; W224-V227 CarbonylContact O-C 3.37Å; W224-V227 WeakPolarHBondContact O-CA 3.46Å; W224-V227 WeakPolarHBondContact O-CB 3.49Å; W224-V227 PolarHBondContact O-N 2.82Å; W224-F228 HydrophobicContact CB-CD2 3.87Å; W224-F228 HydrophobicContact CB-CE2 3.86Å; W224-F228 VanDerWaalsContact O-CD2 3.25Å; W224-F228 WeakPolarHBondContact O-CD2 3.4Å; W224-F228 PolarHBondContact O-N 2.8Å
225	S	53.6	Low	54.6	Low	63 Å²	63	100.7 Å²	100.7	44%	0.441	51%	0.51	S	S	.	.	H	α-helix	trans	-55	-32.2	-179.4	-70.8	0	0	0	0	113.6	G221 R222 Q223 R229	G221-S225 WeakPolarHBondContact O-CB 3.5Å; G221-S225 PolarHBondContact O-N 3.21Å; G221-S225 PolarHBondContact O-OG 3.07Å; R222-S225 WeakPolarHBondContact O-CB 3.49Å; R222-S225 PolarHBondContact O-N 2.86Å; Q223-S225 PolarHBondContact O-N 3.14Å; S225-R229 WeakPolarHBondContact O-CB 3.39Å; S225-R229 PolarHBondContact O-N 3.14Å; S225-R229 VanDerWaalsContact O-N 3.16Å
226	Q	57.7	Low	54.9	Low	133 Å²	133	101.8 Å²	101.8	62%	0.621	51%	0.505	S	S	*	.	H	α-helix	trans	-74.9	-35.3	175.8	-167.3	164.7	-1.8	0	0	112.2	W224 R229 L230	W224-Q226 PolarHBondContact O-N 3.1Å; W224-Q226 VanDerWaalsContact O-N 3.1Å; Q226-R229 PolarHBondContact O-N 3.22Å; Q226-L230 WeakPolarHBondContact O-CG 3.47Å; Q226-L230 PolarHBondContact O-N 2.81Å; Q226-L230 VanDerWaalsContact O-N 3.16Å
227	V	57	Low	55.2	Low	61 Å²	61	107.9 Å²	107.9	37%	0.37	52%	0.522	S	S	.	.	H	α-helix	trans	-68.4	-44.6	173.1	-175.3	0	0	0	0	110.9	W224 R229 L230 L231	W224-V227 HydrophobicContact CE3-CB 4.14Å; W224-V227 HydrophobicContact CE3-CG1 4.2Å; W224-V227 HydrophobicContact CE3-CG2 4.33Å; W224-V227 HydrophobicContact CZ3-CG1 4.3Å; W224-V227 CarbonylContact O-C 3.37Å; W224-V227 WeakPolarHBondContact O-CA 3.46Å; W224-V227 WeakPolarHBondContact O-CB 3.49Å; W224-V227 PolarHBondContact O-N 2.82Å; V227-R229 VanDerWaalsContact C-N 3.27Å; V227-R229 PolarHBondContact O-N 2.83Å; V227-L230 PolarHBondContact O-N 3.22Å; V227-L231 HydrophobicContact CG1-CD1 3.91Å; V227-L231 HydrophobicContact CG1-CG 4.4Å; V227-L231 WeakPolarHBondContact O-CG 3.47Å; V227-L231 PolarHBondContact O-N 3.18Å
228	F	57.7	Low	55.1	Low	50 Å²	50	106.4 Å²	106.4	22%	0.219	51%	0.514	C	S	.	.	H	α-helix	trans	-57.2	-39.5	174.8	-87	-76.6	0	0	0	112.3	W224 K232 P238 L240	W224-F228 HydrophobicContact CB-CD2 3.87Å; W224-F228 HydrophobicContact CB-CE2 3.86Å; W224-F228 VanDerWaalsContact O-CD2 3.25Å; W224-F228 WeakPolarHBondContact O-CD2 3.4Å; W224-F228 PolarHBondContact O-N 2.8Å; F228-K232 WeakPolarHBondContact O-CG 3.4Å; F228-K232 PolarHBondContact O-N 2.87Å; F228-K232 VanDerWaalsContact O-N 3.09Å; F228-P238 HydrophobicContact CD1-CB 3.99Å; F228-P238 HydrophobicContact CD1-CG 3.39Å; F228-P238 HydrophobicContact CE1-CB 3.58Å; F228-P238 HydrophobicContact CE1-CG 3.5Å; F228-P238 VanDerWaalsContact CE1-CG 3.5Å; F228-P238 HydrophobicContact CG-CG 4.45Å; F228-P238 HydrophobicContact CZ-CB 4.37Å; F228-L240 HydrophobicContact CE2-CD1 4.14Å; F228-L240 HydrophobicContact CE2-CD2 4.49Å; F228-L240 HydrophobicContact CZ-CB 3.87Å; F228-L240 HydrophobicContact CZ-CD1 4.03Å; F228-L240 HydrophobicContact CZ-CG 4.37Å
229	R	65	Low	54.7	Low	155 Å²	155	107.5 Å²	107.5	59%	0.585	52%	0.517	S	S	*	.	H	α-helix	trans	-64.3	-51.7	175.8	-164	-175.8	-56.8	164.6	4.5	111.6	S225 Q226 V227 L231 K232 E233	S225-R229 WeakPolarHBondContact O-CB 3.39Å; S225-R229 PolarHBondContact O-N 3.14Å; S225-R229 VanDerWaalsContact O-N 3.16Å; Q226-R229 PolarHBondContact O-N 3.22Å; V227-R229 VanDerWaalsContact C-N 3.27Å; V227-R229 PolarHBondContact O-N 2.83Å; R229-L231 VanDerWaalsContact C-N 3.28Å; R229-L231 PolarHBondContact O-N 3.49Å; R229-K232 PolarHBondContact O-N 3.39Å; R229-E233 WeakPolarHBondContact CG-OE1 3.39Å; R229-E233 WeakPolarHBondContact O-CG 3.37Å; R229-E233 PolarHBondContact O-N 2.98Å
230	L	61.5	Low	54.6	Low	99 Å²	99	109.1 Å²	109.1	52%	0.518	53%	0.525	S	S	.	.	H	α-helix	trans	-62.5	-31.1	179.6	-71.3	168.3	0	0	0	113.6	Q226 V227 K234	Q226-L230 WeakPolarHBondContact O-CG 3.47Å; Q226-L230 PolarHBondContact O-N 2.81Å; Q226-L230 VanDerWaalsContact O-N 3.16Å; V227-L230 PolarHBondContact O-N 3.22Å; L230-K234 WeakPolarHBondContact O-CG 3.3Å
231	L	51.5	Low	54.1	Low	59 Å²	59	113.9 Å²	113.9	31%	0.309	54%	0.542	S	S	.	.	H	α-helix	trans	-75.4	-40.3	175.1	-69.2	172.1	0	0	0	112.1	V227 R229 E233 K234 E235 L236 P238	V227-L231 HydrophobicContact CG1-CD1 3.91Å; V227-L231 HydrophobicContact CG1-CG 4.4Å; V227-L231 WeakPolarHBondContact O-CG 3.47Å; V227-L231 PolarHBondContact O-N 3.18Å; R229-L231 VanDerWaalsContact C-N 3.28Å; R229-L231 PolarHBondContact O-N 3.49Å; L231-E233 VanDerWaalsContact C-N 3.34Å; L231-K234 CarbonylContact O-C 3.57Å; L231-K234 WeakPolarHBondContact O-CA 3.01Å; L231-K234 PolarHBondContact O-N 3.05Å; L231-E235 PolarHBondContact O-N 3.44Å; L231-L236 HydrophobicContact CB-CB 4.45Å; L231-L236 HydrophobicContact CD2-CD1 3.91Å; L231-L236 PolarHBondContact O-N 3.06Å; L231-L236 VanDerWaalsContact O-N 3.14Å; L231-P238 HydrophobicContact CB-CG 3.94Å; L231-P238 HydrophobicContact CD1-CB 3.83Å; L231-P238 HydrophobicContact CD1-CG 3.99Å
232	K	61.4	Low	53.6	Low	155 Å²	155	115.9 Å²	115.9	67%	0.674	55%	0.55	S	S	*	.	H	α-helix	trans	-65.3	-35.6	172.3	-75.3	-172.8	173.3	-169.9	0	112.6	F228 R229 K234 E235	F228-K232 WeakPolarHBondContact O-CG 3.4Å; F228-K232 PolarHBondContact O-N 2.87Å; F228-K232 VanDerWaalsContact O-N 3.09Å; R229-K232 PolarHBondContact O-N 3.39Å; K232-K234 PolarHBondContact O-N 3.39Å; K232-E235 PolarHBondContact O-N 2.96Å; K232-E235 VanDerWaalsContact O-N 3.12Å
233	E	67.8	Low	53.1	Low	110 Å²	110	113.9 Å²	113.9	51%	0.514	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65	1.7	169.5	-73.5	173	-158.1	0	0	114.2	R229 L231	R229-E233 WeakPolarHBondContact CG-OE1 3.39Å; R229-E233 WeakPolarHBondContact O-CG 3.37Å; R229-E233 PolarHBondContact O-N 2.98Å; L231-E233 VanDerWaalsContact C-N 3.34Å
234	K	64.1	Low	53.2	Low	143 Å²	143	110.3 Å²	110.3	62%	0.622	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.8	18	176.2	-63.1	-73.1	159.1	-88.4	0	112.4	L230 L231 K232 L236	L230-K234 WeakPolarHBondContact O-CG 3.3Å; L231-K234 CarbonylContact O-C 3.57Å; L231-K234 WeakPolarHBondContact O-CA 3.01Å; L231-K234 PolarHBondContact O-N 3.05Å; K232-K234 PolarHBondContact O-N 3.39Å; K234-L236 PolarHBondContact O-N 3.03Å; K234-L236 VanDerWaalsContact O-N 3.13Å
235	E	54.6	Low	53.4	Low	192 Å²	192	110.2 Å²	110.2	90%	0.897	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	22.2	179.7	-59.3	177.5	-175.9	0	0	113.9	L231 K232	L231-E235 PolarHBondContact O-N 3.44Å; K232-E235 PolarHBondContact O-N 2.96Å; K232-E235 VanDerWaalsContact O-N 3.12Å
236	L	48.3	Very low	53.8	Low	99 Å²	99	110.3 Å²	110.3	52%	0.518	54%	0.544	S	S	.	.			trans	-93.5	137.8	173.1	-61.1	176	0	0	0	109.9	L231 K234 P238	L231-L236 HydrophobicContact CB-CB 4.45Å; L231-L236 HydrophobicContact CD2-CD1 3.91Å; L231-L236 PolarHBondContact O-N 3.06Å; L231-L236 VanDerWaalsContact O-N 3.14Å; K234-L236 PolarHBondContact O-N 3.03Å; K234-L236 VanDerWaalsContact O-N 3.13Å; L236-P238 VanDerWaalsContact C-CD 3.45Å; L236-P238 WeakPolarHBondContact O-CD 3.5Å
237	E	47.3	Very low	54.1	Low	196 Å²	196	107.2 Å²	107.2	92%	0.916	54%	0.541	S	S	*	.			trans	-98.5	89.8	172.8	-65.9	-166.3	143.7	0	0	111
238	P	45.8	Very low	54.9	Low	43 Å²	43	107 Å²	107	28%	0.279	54%	0.535	S	S	.	.			trans	-72.5	134.8	170.4	30	-37.1	0	0	0	111.7	F228 L231 L236	F228-P238 HydrophobicContact CD1-CB 3.99Å; F228-P238 HydrophobicContact CD1-CG 3.39Å; F228-P238 HydrophobicContact CE1-CB 3.58Å; F228-P238 HydrophobicContact CE1-CG 3.5Å; F228-P238 VanDerWaalsContact CE1-CG 3.5Å; F228-P238 HydrophobicContact CG-CG 4.45Å; F228-P238 HydrophobicContact CZ-CB 4.37Å; L231-P238 HydrophobicContact CB-CG 3.94Å; L231-P238 HydrophobicContact CD1-CB 3.83Å; L231-P238 HydrophobicContact CD1-CG 3.99Å; L236-P238 VanDerWaalsContact C-CD 3.45Å; L236-P238 WeakPolarHBondContact O-CD 3.5Å
239	E	42.2	Very low	55.5	Low	115 Å²	115	112.4 Å²	112.4	54%	0.537	56%	0.559	S	S	.	*			trans	-112.7	130.7	174	-172	174.8	-121.3	0	0	110.4	R309	E239-R309 IonicContact OE1-CZ 3.39Å; E239-R309 IonicContact OE1-NH1 3.8Å; E239-R309 PolarHBondContact OE1-NH1 2.76Å
240	L	44.4	Very low	55.5	Low	99 Å²	99	105.4 Å²	105.4	52%	0.518	53%	0.533	S	S	.	.			trans	-97.2	105.6	-177.5	-165.2	68.7	0	0	0	111.5	F228 C242	F228-L240 HydrophobicContact CE2-CD1 4.14Å; F228-L240 HydrophobicContact CE2-CD2 4.49Å; F228-L240 HydrophobicContact CZ-CB 3.87Å; F228-L240 HydrophobicContact CZ-CD1 4.03Å; F228-L240 HydrophobicContact CZ-CG 4.37Å; L240-C242 PolarHBondContact O-N 2.91Å; L240-C242 VanDerWaalsContact O-N 3.16Å
241	Q	38.5	Very low	55.6	Low	174 Å²	174	105.7 Å²	105.7	81%	0.813	54%	0.536	S	S	*	.			trans	-86.7	82.3	178.3	-65.6	-170.4	-2.2	0	0	112.2
242	C	42.8	Very low	56.1	Low	78 Å²	78	105.6 Å²	105.6	53%	0.527	55%	0.549	S	S	.	.			trans	-86.9	122.4	172.6	-71.6	0	0	0	0	112.1	L240 V244	L240-C242 PolarHBondContact O-N 2.91Å; L240-C242 VanDerWaalsContact O-N 3.16Å; C242-V244 PolarHBondContact O-N 3.3Å; C242-V244 VanDerWaalsContact O-N 3.15Å
243	S	47	Very low	56.1	Low	109 Å²	109	104.7 Å²	104.7	76%	0.762	55%	0.547	S	S	*	.			trans	-82.7	86.6	172.7	57.7	0	0	0	0	111.5
244	V	53	Low	56.1	Low	54 Å²	54	103.6 Å²	103.6	33%	0.327	56%	0.557	S	S	.	*			trans	-63.2	137.4	174.5	-177.5	0	0	0	0	110.2	C242 F319	C242-V244 PolarHBondContact O-N 3.3Å; C242-V244 VanDerWaalsContact O-N 3.15Å; V244-F319 HydrophobicContact CG1-CE2 4.03Å
245	K	59.3	Low	56.4	Low	127 Å²	127	98.2 Å²	98.2	55%	0.552	54%	0.535	S	S	*	.			trans	-126.5	131.7	172.1	-61.9	-177.2	-178.3	172.3	0	109.5	V256 F257 S258	K245-V256 HydrophobicContact CB-CG1 4.24Å; K245-V256 HydrophobicContact CD-CG1 4.37Å; K245-F257 CarbonylContact C-O 3.58Å; K245-F257 VanDerWaalsContact CA-O 3.24Å; K245-F257 WeakPolarHBondContact CA-O 3.41Å; K245-F257 WeakPolarHBondContact CB-O 3.49Å; K245-S258 WeakPolarHBondContact CE-OG 3.34Å
246	L	63.1	Low	57.4	Low	65 Å²	65	93.3 Å²	93.3	34%	0.34	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	124.9	173.3	177.9	67	0	0	0	108.7	F248 V256 F257 L263 L315	L246-F248 HydrophobicContact CD2-CD1 4.19Å; L246-F248 HydrophobicContact CD2-CE1 4.11Å; L246-F248 HydrophobicContact CG-CD1 4.09Å; L246-F248 HydrophobicContact CG-CE1 4.45Å; L246-V256 CarbonylContact O-C 3.59Å; L246-V256 WeakPolarHBondContact O-CA 3.35Å; L246-F257 PolarHBondContact N-O 2.88Å; L246-F257 PolarHBondContact O-N 3.3Å; L246-L263 HydrophobicContact CD2-CD1 4.39Å; L246-L263 HydrophobicContact CD2-CD2 3.9Å; L246-L315 HydrophobicContact CB-CD1 3.82Å
247	A	64.3	Low	58.6	Low	68 Å²	68	89.3 Å²	89.3	56%	0.562	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	129.9	175	0	0	0	0	0	109.9	N255 V256	A247-N255 WeakPolarHBondContact CA-O 3.42Å; A247-V256 HydrophobicContact CB-CG1 4.31Å; A247-V256 HydrophobicContact CB-CG2 3.92Å
248	F	72.8	Confident	59.5	Low	56 Å²	56	82.9 Å²	82.9	25%	0.246	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	155.5	172.7	64.4	-88.7	0	0	0	111.5	L246 C250 N255 F257 L263 F266 L273	L246-F248 HydrophobicContact CD2-CD1 4.19Å; L246-F248 HydrophobicContact CD2-CE1 4.11Å; L246-F248 HydrophobicContact CG-CD1 4.09Å; L246-F248 HydrophobicContact CG-CE1 4.45Å; F248-C250 HydrophobicContact CD2-CB 4.21Å; F248-C250 HydrophobicContact CE2-CB 3.99Å; F248-N255 PolarHBondContact N-O 3.45Å; F248-N255 PolarHBondContact O-N 3.16Å; F248-F257 HydrophobicContact CD1-CD2 4.42Å; F248-F257 HydrophobicContact CD1-CE2 4.2Å; F248-F257 AromaticContact CE1-CD2 3.82Å; F248-F257 HydrophobicContact CE1-CD2 3.82Å; F248-F257 AromaticContact CE1-CE2 3.46Å; F248-F257 HydrophobicContact CE1-CE2 3.46Å; F248-F257 VanDerWaalsContact CE1-CE2 3.46Å; F248-F257 AromaticContact CZ-CE2 3.81Å; F248-F257 HydrophobicContact CZ-CE2 3.81Å; F248-L263 HydrophobicContact CE1-CD1 3.94Å; F248-L263 HydrophobicContact CZ-CD1 4.23Å; F248-F266 HydrophobicContact CE2-CE1 4.31Å; F248-F266 HydrophobicContact CZ-CD1 4.44Å; F248-F266 HydrophobicContact CZ-CE1 4.17Å; F248-L273 HydrophobicContact CE2-CD1 3.93Å; F248-L273 HydrophobicContact CE2-CD2 4.34Å; F248-L273 HydrophobicContact CZ-CD1 4.13Å
249	K	70.7	Confident	60.6	Low	164 Å²	164	83 Å²	83	71%	0.713	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	130.3	178.6	-155.3	173.4	-176.1	178.8	0	109.5	G252 E253	K249-G252 WeakPolarHBondContact CE-O 3.43Å; K249-E253 CarbonylContact C-O 3.59Å; K249-E253 WeakPolarHBondContact CA-O 3.34Å
250	C	66.1	Low	61.7	Low	8 Å²	8	80.4 Å²	80.4	5%	0.054	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	125.2	-177	-177.5	0	0	0	0	108.2	F248 G252 E253 F266	F248-C250 HydrophobicContact CD2-CB 4.21Å; F248-C250 HydrophobicContact CE2-CB 3.99Å; C250-G252 PolarHBondContact O-N 2.99Å; C250-G252 VanDerWaalsContact O-N 3.13Å; C250-E253 PolarHBondContact N-O 3.2Å; C250-E253 PolarHBondContact O-N 3.41Å; C250-F266 HydrophobicContact CB-CE1 4.28Å; C250-F266 HydrophobicContact CB-CZ 4.07Å
251	D	62.8	Low	62.9	Low	106 Å²	106	80.8 Å²	80.8	57%	0.567	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	36.1	-176.4	-53.7	-27.6	0	0	0	114	E253 K270	D251-E253 VanDerWaalsContact C-N 3.32Å; D251-E253 PolarHBondContact O-N 3.37Å; D251-K270 WeakPolarHBondContact OD2-CE 3.28Å; D251-K270 IonicContact OD2-NZ 3.12Å; D251-K270 PolarHBondContact OD2-NZ 3.28Å
252	G	62.8	Low	64.7	Low	57 Å²	57	74.9 Å²	74.9	59%	0.588	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	-20.4	-177.1	0	0	0	0	0	115.2	K249 C250	K249-G252 WeakPolarHBondContact CE-O 3.43Å; C250-G252 PolarHBondContact O-N 2.99Å; C250-G252 VanDerWaalsContact O-N 3.13Å
253	E	59.6	Low	66.3	Low	136 Å²	136	71.6 Å²	71.6	64%	0.636	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	135.6	-177.3	-64.9	-177.5	164.3	0	0	112.6	K249 C250 D251 N255	K249-E253 CarbonylContact C-O 3.59Å; K249-E253 WeakPolarHBondContact CA-O 3.34Å; C250-E253 PolarHBondContact N-O 3.2Å; C250-E253 PolarHBondContact O-N 3.41Å; D251-E253 VanDerWaalsContact C-N 3.32Å; D251-E253 PolarHBondContact O-N 3.37Å; E253-N255 PolarHBondContact O-N 3.2Å; E253-N255 PolarHBondContact O-ND2 2.93Å
254	A	68.4	Low	67.6	Low	87 Å²	87	71 Å²	71	72%	0.719	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	106.3	174.2	0	0	0	0	0	110.5
255	N	70.8	Confident	68.7	Low	29 Å²	29	73 Å²	73	16%	0.155	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	132.6	-175.9	-77.5	-94.4	0	0	0	110.5	A247 F248 E253 F257 F266	A247-N255 WeakPolarHBondContact CA-O 3.42Å; F248-N255 PolarHBondContact N-O 3.45Å; F248-N255 PolarHBondContact O-N 3.16Å; E253-N255 PolarHBondContact O-N 3.2Å; E253-N255 PolarHBondContact O-ND2 2.93Å; N255-F257 HydrophobicContact CB-CE2 3.74Å; N255-F257 HydrophobicContact CB-CZ 3.81Å; N255-F266 HydrophobicContact CB-CZ 4.23Å; N255-F266 WeakPolarHBondContact OD1-CE2 3.46Å; N255-F266 WeakPolarHBondContact OD1-CZ 3.13Å
256	V	76.3	Confident	69.7	Low	90 Å²	90	68.5 Å²	68.5	55%	0.545	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	121.3	-173.8	-171.8	0	0	0	0	111.4	K245 L246 A247	K245-V256 HydrophobicContact CB-CG1 4.24Å; K245-V256 HydrophobicContact CD-CG1 4.37Å; L246-V256 CarbonylContact O-C 3.59Å; L246-V256 WeakPolarHBondContact O-CA 3.35Å; A247-V256 HydrophobicContact CB-CG1 4.31Å; A247-V256 HydrophobicContact CB-CG2 3.92Å
257	F	72.7	Confident	70.3	Confident	14 Å²	14	65.6 Å²	65.6	6%	0.061	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	135.1	-176.4	-53.3	-79.2	0	0	0	110.2	K245 L246 F248 N255 L263 F266 L315	K245-F257 CarbonylContact C-O 3.58Å; K245-F257 VanDerWaalsContact CA-O 3.24Å; K245-F257 WeakPolarHBondContact CA-O 3.41Å; K245-F257 WeakPolarHBondContact CB-O 3.49Å; L246-F257 PolarHBondContact N-O 2.88Å; L246-F257 PolarHBondContact O-N 3.3Å; F248-F257 HydrophobicContact CD1-CD2 4.42Å; F248-F257 HydrophobicContact CD1-CE2 4.2Å; F248-F257 AromaticContact CE1-CD2 3.82Å; F248-F257 HydrophobicContact CE1-CD2 3.82Å; F248-F257 AromaticContact CE1-CE2 3.46Å; F248-F257 HydrophobicContact CE1-CE2 3.46Å; F248-F257 VanDerWaalsContact CE1-CE2 3.46Å; F248-F257 AromaticContact CZ-CE2 3.81Å; F248-F257 HydrophobicContact CZ-CE2 3.81Å; N255-F257 HydrophobicContact CB-CE2 3.74Å; N255-F257 HydrophobicContact CB-CZ 3.81Å; F257-L263 HydrophobicContact CB-CB 4.37Å; F257-L263 HydrophobicContact CD1-CB 4.3Å; F257-L263 HydrophobicContact CD1-CD1 4.45Å; F257-L263 HydrophobicContact CD2-CD1 3.83Å; F257-L263 HydrophobicContact CE2-CD1 3.99Å; F257-L263 HydrophobicContact CG-CB 4.21Å; F257-L263 HydrophobicContact CG-CD1 4.08Å; F257-L263 HydrophobicContact CZ-CD1 4.38Å; F257-F266 HydrophobicContact CE1-CB 3.55Å; F257-F266 HydrophobicContact CE1-CD1 4.25Å; F257-F266 HydrophobicContact CE1-CD2 4.21Å; F257-F266 AromaticContact CE1-CG 3.78Å; F257-F266 HydrophobicContact CE1-CG 3.78Å; F257-F266 HydrophobicContact CE2-CD1 4.31Å; F257-F266 HydrophobicContact CZ-CB 3.75Å; F257-F266 AromaticContact CZ-CD1 3.53Å; F257-F266 HydrophobicContact CZ-CD1 3.53Å; F257-F266 AromaticContact CZ-CD2 3.9Å; F257-F266 HydrophobicContact CZ-CD2 3.9Å; F257-F266 HydrophobicContact CZ-CE1 4.01Å; F257-F266 HydrophobicContact CZ-CE2 4.35Å; F257-F266 AromaticContact CZ-CG 3.46Å; F257-F266 HydrophobicContact CZ-CG 3.46Å; F257-F266 VanDerWaalsContact CZ-CG 3.46Å; F257-F266 HydrophobicContact CZ-CZ 4.4Å; F257-L315 WeakPolarHBondContact O-CD1 3.39Å
258	S	66.9	Low	70.7	Confident	62 Å²	62	66.2 Å²	66.2	43%	0.434	37%	0.367	S	S	.	.	S	Bend	trans	-106.9	-5.2	178.4	-55.1	0	0	0	0	113.3	K245	K245-S258 WeakPolarHBondContact CE-OG 3.34Å
259	D	67.4	Low	70.9	Confident	45 Å²	45	72.7 Å²	72.7	24%	0.241	39%	0.39	C	S	.	.	S	Bend	trans	-155.2	156.4	-171.8	68.7	95.6	0	0	0	109.9	H261 S262	D259-H261 VanDerWaalsContact C-N 3.3Å; D259-H261 PolarHBondContact O-N 3.08Å; D259-H261 WeakPolarHBondContact OD1-CA 3.49Å; D259-H261 WeakPolarHBondContact OD1-CB 3.46Å; D259-H261 PolarHBondContact OD1-N 3.26Å; D259-H261 VanDerWaalsContact OD1-N 3.08Å; D259-S262 VanDerWaalsContact CG-OG 3.27Å; D259-S262 PolarHBondContact OD1-N 3.47Å; D259-S262 PolarHBondContact OD1-OG 3.4Å; D259-S262 VanDerWaalsContact OD1-OG 3.14Å; D259-S262 VanDerWaalsContact OD2-CB 3.25Å; D259-S262 WeakPolarHBondContact OD2-CB 3.47Å; D259-S262 PolarHBondContact OD2-OG 2.79Å
260	L	65.6	Low	71.2	Confident	61 Å²	61	67.6 Å²	67.6	32%	0.319	37%	0.368	S	S	.	.	H	α-helix	trans	-72.2	-24.5	-174.9	-161.6	77.4	0	0	0	112.8	R264 F281 D313 L315	L260-R264 PolarHBondContact O-N 3.18Å; L260-F281 HydrophobicContact CD1-CE1 4.01Å; L260-F281 HydrophobicContact CD1-CZ 3.89Å; L260-F281 HydrophobicContact CD2-CE1 3.91Å; L260-F281 HydrophobicContact CG-CE1 3.68Å; L260-F281 HydrophobicContact CG-CZ 3.92Å; L260-D313 PolarHBondContact N-O 3.08Å; L260-D313 VanDerWaalsContact N-O 3.08Å; L260-L315 HydrophobicContact CB-CD2 4.24Å; L260-L315 HydrophobicContact CD1-CD2 3.79Å
261	H	69.3	Low	71.5	Confident	106 Å²	106	71.6 Å²	71.6	49%	0.491	39%	0.394	S	S	.	.	H	α-helix	trans	-75.3	-44.3	-177.2	-172.2	91.7	0	0	0	111.8	D259 L263 R264 Q265	D259-H261 VanDerWaalsContact C-N 3.3Å; D259-H261 PolarHBondContact O-N 3.08Å; D259-H261 WeakPolarHBondContact OD1-CA 3.49Å; D259-H261 WeakPolarHBondContact OD1-CB 3.46Å; D259-H261 PolarHBondContact OD1-N 3.26Å; D259-H261 VanDerWaalsContact OD1-N 3.08Å; H261-L263 VanDerWaalsContact C-N 3.27Å; H261-L263 PolarHBondContact O-N 2.7Å; H261-R264 PolarHBondContact O-N 3.02Å; H261-Q265 PolarHBondContact CD2-NE2 2.78Å; H261-Q265 VanDerWaalsContact CD2-NE2 3.3Å; H261-Q265 PolarHBondContact NE2-NE2 3.26Å; H261-Q265 WeakPolarHBondContact O-CG 3.36Å; H261-Q265 PolarHBondContact O-N 3.41Å
262	S	77.8	Confident	71.8	Confident	51 Å²	51	71.7 Å²	71.7	36%	0.357	39%	0.389	S	S	.	.	H	α-helix	trans	-58	-40.3	171.7	-64	0	0	0	0	111.5	D259 Q265 F266	D259-S262 VanDerWaalsContact CG-OG 3.27Å; D259-S262 PolarHBondContact OD1-N 3.47Å; D259-S262 PolarHBondContact OD1-OG 3.4Å; D259-S262 VanDerWaalsContact OD1-OG 3.14Å; D259-S262 VanDerWaalsContact OD2-CB 3.25Å; D259-S262 WeakPolarHBondContact OD2-CB 3.47Å; D259-S262 PolarHBondContact OD2-OG 2.79Å; S262-Q265 PolarHBondContact O-N 2.93Å; S262-F266 PolarHBondContact O-N 2.75Å
263	L	76.4	Confident	72.2	Confident	9 Å²	9	69.6 Å²	69.6	5%	0.047	37%	0.365	C	S	.	.	H	α-helix	trans	-63.1	-50.3	173.5	-177.6	62.5	0	0	0	111.2	L246 F248 F257 H261 Q265 F266 T267 F281	L246-L263 HydrophobicContact CD2-CD1 4.39Å; L246-L263 HydrophobicContact CD2-CD2 3.9Å; F248-L263 HydrophobicContact CE1-CD1 3.94Å; F248-L263 HydrophobicContact CZ-CD1 4.23Å; F257-L263 HydrophobicContact CB-CB 4.37Å; F257-L263 HydrophobicContact CD1-CB 4.3Å; F257-L263 HydrophobicContact CD1-CD1 4.45Å; F257-L263 HydrophobicContact CD2-CD1 3.83Å; F257-L263 HydrophobicContact CE2-CD1 3.99Å; F257-L263 HydrophobicContact CG-CB 4.21Å; F257-L263 HydrophobicContact CG-CD1 4.08Å; F257-L263 HydrophobicContact CZ-CD1 4.38Å; H261-L263 VanDerWaalsContact C-N 3.27Å; H261-L263 PolarHBondContact O-N 2.7Å; L263-Q265 VanDerWaalsContact C-N 3.28Å; L263-Q265 PolarHBondContact O-N 3.1Å; L263-F266 PolarHBondContact O-N 2.91Å; L263-T267 HydrophobicContact CD1-CG2 4.2Å; L263-T267 HydrophobicContact CG-CG2 4.38Å; L263-T267 WeakPolarHBondContact O-CG2 3.25Å; L263-T267 PolarHBondContact O-N 2.66Å; L263-T267 PolarHBondContact O-OG1 3.03Å; L263-F281 HydrophobicContact CD2-CE2 4.22Å; L263-F281 HydrophobicContact CD2-CZ 4.14Å; L263-F281 HydrophobicContact CG-CE2 4.2Å; L263-F281 HydrophobicContact CG-CZ 4.23Å
264	R	73.1	Confident	72.5	Confident	95 Å²	95	69 Å²	69	36%	0.358	36%	0.357	S	S	.	.	H	α-helix	trans	-59.9	-35.4	177.8	-166.7	-171.4	-98.4	-99.1	12.9	112.3	L260 H261 T267 S268 F281 P282	L260-R264 PolarHBondContact O-N 3.18Å; H261-R264 PolarHBondContact O-N 3.02Å; R264-T267 PolarHBondContact O-OG1 2.88Å; R264-S268 WeakPolarHBondContact O-CB 3.46Å; R264-S268 PolarHBondContact O-N 3.15Å; R264-S268 VanDerWaalsContact O-N 3.1Å; R264-S268 PolarHBondContact O-OG 2.99Å; R264-F281 HydrophobicContact CB-CD1 4.3Å; R264-F281 HydrophobicContact CB-CE1 3.9Å; R264-F281 HydrophobicContact CB-CE2 4.44Å; R264-F281 HydrophobicContact CB-CZ 3.97Å; R264-F281 HydrophobicContact CG-CD1 4.08Å; R264-F281 HydrophobicContact CG-CE1 4.2Å; R264-F281 HydrophobicContact CG-CG 4.29Å; R264-F281 VanDerWaalsContact NE-CD1 3.3Å; R264-F281 PolarHBondContact NH1-O 3.47Å; R264-P282 PolarHBondContact NH1-O 3.45Å; R264-P282 PolarHBondContact NH2-O 3.06Å
265	Q	75.7	Confident	72.5	Confident	97 Å²	97	69.7 Å²	69.7	45%	0.453	35%	0.345	S	S	.	.	H	α-helix	trans	-67	-36.7	173.4	-73.6	-164.3	23.2	0	0	112.8	H261 S262 L263 R269	H261-Q265 PolarHBondContact CD2-NE2 2.78Å; H261-Q265 VanDerWaalsContact CD2-NE2 3.3Å; H261-Q265 PolarHBondContact NE2-NE2 3.26Å; H261-Q265 WeakPolarHBondContact O-CG 3.36Å; H261-Q265 PolarHBondContact O-N 3.41Å; S262-Q265 PolarHBondContact O-N 2.93Å; L263-Q265 VanDerWaalsContact C-N 3.28Å; L263-Q265 PolarHBondContact O-N 3.1Å; Q265-R269 WeakPolarHBondContact O-CG 3.48Å
266	F	80.3	Confident	72.4	Confident	32 Å²	32	74.4 Å²	74.4	14%	0.14	37%	0.37	C	S	.	.	H	α-helix	trans	-72.4	-46.5	177.7	-178.2	-98.2	0	0	0	112.2	F248 C250 N255 F257 S262 L263 S268 R269 K270 L273	F248-F266 HydrophobicContact CE2-CE1 4.31Å; F248-F266 HydrophobicContact CZ-CD1 4.44Å; F248-F266 HydrophobicContact CZ-CE1 4.17Å; C250-F266 HydrophobicContact CB-CE1 4.28Å; C250-F266 HydrophobicContact CB-CZ 4.07Å; N255-F266 HydrophobicContact CB-CZ 4.23Å; N255-F266 WeakPolarHBondContact OD1-CE2 3.46Å; N255-F266 WeakPolarHBondContact OD1-CZ 3.13Å; F257-F266 HydrophobicContact CE1-CB 3.55Å; F257-F266 HydrophobicContact CE1-CD1 4.25Å; F257-F266 HydrophobicContact CE1-CD2 4.21Å; F257-F266 AromaticContact CE1-CG 3.78Å; F257-F266 HydrophobicContact CE1-CG 3.78Å; F257-F266 HydrophobicContact CE2-CD1 4.31Å; F257-F266 HydrophobicContact CZ-CB 3.75Å; F257-F266 AromaticContact CZ-CD1 3.53Å; F257-F266 HydrophobicContact CZ-CD1 3.53Å; F257-F266 AromaticContact CZ-CD2 3.9Å; F257-F266 HydrophobicContact CZ-CD2 3.9Å; F257-F266 HydrophobicContact CZ-CE1 4.01Å; F257-F266 HydrophobicContact CZ-CE2 4.35Å; F257-F266 AromaticContact CZ-CG 3.46Å; F257-F266 HydrophobicContact CZ-CG 3.46Å; F257-F266 VanDerWaalsContact CZ-CG 3.46Å; F257-F266 HydrophobicContact CZ-CZ 4.4Å; S262-F266 PolarHBondContact O-N 2.75Å; L263-F266 PolarHBondContact O-N 2.91Å; F266-S268 VanDerWaalsContact C-N 3.26Å; F266-S268 PolarHBondContact O-N 2.9Å; F266-R269 WeakPolarHBondContact O-CB 3.41Å; F266-R269 PolarHBondContact O-N 3.17Å; F266-K270 HydrophobicContact CE1-CG 4.19Å; F266-K270 HydrophobicContact CZ-CG 4.26Å; F266-K270 PolarHBondContact O-N 2.7Å; F266-L273 HydrophobicContact CD1-CD1 4.01Å; F266-L273 HydrophobicContact CE1-CD1 3.58Å
267	T	76	Confident	71.9	Confident	4 Å²	4	72.2 Å²	72.2	3%	0.025	36%	0.355	C	S	.	.	H	α-helix	trans	-61.8	-35.6	176.5	62	0	0	0	0	111.5	L263 R264 R269 K270 L273 L277	L263-T267 HydrophobicContact CD1-CG2 4.2Å; L263-T267 HydrophobicContact CG-CG2 4.38Å; L263-T267 WeakPolarHBondContact O-CG2 3.25Å; L263-T267 PolarHBondContact O-N 2.66Å; L263-T267 PolarHBondContact O-OG1 3.03Å; R264-T267 PolarHBondContact O-OG1 2.88Å; T267-R269 PolarHBondContact O-N 2.91Å; T267-R269 VanDerWaalsContact O-N 3.08Å; T267-K270 CarbonylContact O-C 3.53Å; T267-K270 PolarHBondContact O-N 2.7Å; T267-L273 HydrophobicContact CG2-CB 4.03Å; T267-L277 HydrophobicContact CG2-CD1 3.7Å
268	S	73.8	Confident	71.5	Confident	81 Å²	81	76.4 Å²	76.4	57%	0.566	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-19.2	173.2	-60.9	0	0	0	0	114.1	R264 F266	R264-S268 WeakPolarHBondContact O-CB 3.46Å; R264-S268 PolarHBondContact O-N 3.15Å; R264-S268 VanDerWaalsContact O-N 3.1Å; R264-S268 PolarHBondContact O-OG 2.99Å; F266-S268 VanDerWaalsContact C-N 3.26Å; F266-S268 PolarHBondContact O-N 2.9Å
269	R	76.9	Confident	70.8	Confident	193 Å²	193	79.9 Å²	79.9	73%	0.728	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-6.5	175.3	-60.8	175.8	-171.7	-168.2	3	113.8	Q265 F266 T267	Q265-R269 WeakPolarHBondContact O-CG 3.48Å; F266-R269 WeakPolarHBondContact O-CB 3.41Å; F266-R269 PolarHBondContact O-N 3.17Å; T267-R269 PolarHBondContact O-N 2.91Å; T267-R269 VanDerWaalsContact O-N 3.08Å
270	K	76.9	Confident	70.2	Confident	57 Å²	57	81.6 Å²	81.6	25%	0.248	40%	0.398	C	S	.	.			trans	-129.5	94.7	-174.1	-64.5	-68.9	-175.1	173.3	0	109.1	D251 F266 T267 F272 L273 R274	D251-K270 WeakPolarHBondContact OD2-CE 3.28Å; D251-K270 IonicContact OD2-NZ 3.12Å; D251-K270 PolarHBondContact OD2-NZ 3.28Å; F266-K270 HydrophobicContact CE1-CG 4.19Å; F266-K270 HydrophobicContact CZ-CG 4.26Å; F266-K270 PolarHBondContact O-N 2.7Å; T267-K270 CarbonylContact O-C 3.53Å; T267-K270 PolarHBondContact O-N 2.7Å; K270-F272 VanDerWaalsContact C-N 3.29Å; K270-F272 HydrophobicContact CB-CE1 4.27Å; K270-F272 HydrophobicContact CD-CE1 4.46Å; K270-F272 PolarHBondContact O-N 2.88Å; K270-F272 VanDerWaalsContact O-N 3.16Å; K270-L273 HydrophobicContact CB-CB 4.21Å; K270-L273 HydrophobicContact CB-CD1 4Å; K270-L273 HydrophobicContact CB-CG 4.31Å; K270-L273 HydrophobicContact CG-CD1 4.37Å; K270-L273 PolarHBondContact O-N 2.72Å; K270-R274 PolarHBondContact O-N 3Å
271	P	71.3	Confident	69.6	Low	92 Å²	92	79.3 Å²	79.3	60%	0.597	39%	0.386	S	S	*	.	H	α-helix	trans	-59.4	-34.6	-166.4	20.7	-32.2	0	0	0	113.9	R274 E275	P271-R274 WeakPolarHBondContact O-CB 3.37Å; P271-R274 PolarHBondContact O-N 3.26Å; P271-E275 PolarHBondContact O-N 2.87Å
272	F	70.6	Confident	68.4	Low	107 Å²	107	78.3 Å²	78.3	47%	0.469	39%	0.389	S	S	.	.	H	α-helix	trans	-66.1	-38.8	176.8	73.2	-87.5	0	0	0	113	K270 R274 E275 L276	K270-F272 VanDerWaalsContact C-N 3.29Å; K270-F272 HydrophobicContact CB-CE1 4.27Å; K270-F272 HydrophobicContact CD-CE1 4.46Å; K270-F272 PolarHBondContact O-N 2.88Å; K270-F272 VanDerWaalsContact O-N 3.16Å; F272-R274 VanDerWaalsContact C-N 3.32Å; F272-E275 WeakPolarHBondContact O-CB 3.48Å; F272-E275 PolarHBondContact O-N 2.79Å; F272-L276 WeakPolarHBondContact O-CB 3.39Å; F272-L276 PolarHBondContact O-N 3.18Å
273	L	70.1	Confident	66.7	Low	13 Å²	13	82.3 Å²	82.3	7%	0.068	40%	0.402	C	S	.	.	H	α-helix	trans	-71	-29.6	173	-68.1	175.3	0	0	0	112.2	F248 F266 T267 K270 L276 L277	F248-L273 HydrophobicContact CE2-CD1 3.93Å; F248-L273 HydrophobicContact CE2-CD2 4.34Å; F248-L273 HydrophobicContact CZ-CD1 4.13Å; F266-L273 HydrophobicContact CD1-CD1 4.01Å; F266-L273 HydrophobicContact CE1-CD1 3.58Å; T267-L273 HydrophobicContact CG2-CB 4.03Å; K270-L273 HydrophobicContact CB-CB 4.21Å; K270-L273 HydrophobicContact CB-CD1 4Å; K270-L273 HydrophobicContact CB-CG 4.31Å; K270-L273 HydrophobicContact CG-CD1 4.37Å; K270-L273 PolarHBondContact O-N 2.72Å; L273-L276 HydrophobicContact CD2-CD2 4.48Å; L273-L277 WeakPolarHBondContact O-CB 3.43Å; L273-L277 PolarHBondContact O-N 2.78Å
274	R	66.9	Low	65	Low	123 Å²	123	90.2 Å²	90.2	46%	0.464	44%	0.444	S	S	.	.	H	α-helix	trans	-67.5	-37.7	173.1	-161.3	-162.9	71.5	-174.6	1.1	111.7	K270 P271 F272 K278	K270-R274 PolarHBondContact O-N 3Å; P271-R274 WeakPolarHBondContact O-CB 3.37Å; P271-R274 PolarHBondContact O-N 3.26Å; F272-R274 VanDerWaalsContact C-N 3.32Å; R274-K278 PolarHBondContact O-N 3.02Å
275	E	67.7	Low	63.1	Low	102 Å²	102	94.1 Å²	94.1	48%	0.477	47%	0.467	S	S	.	.	H	α-helix	trans	-67.4	-46.7	174.4	-167.1	68.8	-125.6	0	0	111.1	P271 F272 L277 K278	P271-E275 PolarHBondContact O-N 2.87Å; F272-E275 WeakPolarHBondContact O-CB 3.48Å; F272-E275 PolarHBondContact O-N 2.79Å; E275-L277 PolarHBondContact O-N 3.39Å; E275-K278 VanDerWaalsContact O-CD 3.23Å; E275-K278 WeakPolarHBondContact O-CD 3.29Å; E275-K278 WeakPolarHBondContact O-CE 3.22Å; E275-K278 VanDerWaalsContact O-CG 3.24Å; E275-K278 WeakPolarHBondContact O-CG 3.28Å; E275-K278 IonicContact OE1-NZ 2.98Å; E275-K278 PolarHBondContact OE1-NZ 3.31Å
276	L	68.6	Low	61.5	Low	128 Å²	128	93.9 Å²	93.9	67%	0.67	49%	0.49	S	S	*	.	H	α-helix	trans	-67.9	-30.1	-178.4	-171.9	67	0	0	0	113.7	F272 L273	F272-L276 WeakPolarHBondContact O-CB 3.39Å; F272-L276 PolarHBondContact O-N 3.18Å; L273-L276 HydrophobicContact CD2-CD2 4.48Å
277	L	65.3	Low	59.5	Low	45 Å²	45	95.7 Å²	95.7	24%	0.236	52%	0.518	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	18.8	-176.4	-62.1	168.5	0	0	0	113	T267 L273 E275 D279 V280 F281	T267-L277 HydrophobicContact CG2-CD1 3.7Å; L273-L277 WeakPolarHBondContact O-CB 3.43Å; L273-L277 PolarHBondContact O-N 2.78Å; E275-L277 PolarHBondContact O-N 3.39Å; L277-D279 VanDerWaalsContact C-N 3.31Å; L277-D279 PolarHBondContact O-N 3.04Å; L277-V280 HydrophobicContact CD2-CG2 4.32Å; L277-V280 PolarHBondContact O-N 3.48Å; L277-F281 HydrophobicContact CB-CD2 3.98Å; L277-F281 HydrophobicContact CB-CE2 4.46Å; L277-F281 WeakPolarHBondContact O-CB 3.31Å; L277-F281 PolarHBondContact O-N 3.03Å
278	K	64.6	Low	57.8	Low	102 Å²	102	104.5 Å²	104.5	44%	0.443	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.7	-38.6	-178.4	64.2	-167.6	162	-172.7	0	113	R274 E275 F281	R274-K278 PolarHBondContact O-N 3.02Å; E275-K278 VanDerWaalsContact O-CD 3.23Å; E275-K278 WeakPolarHBondContact O-CD 3.29Å; E275-K278 WeakPolarHBondContact O-CE 3.22Å; E275-K278 VanDerWaalsContact O-CG 3.24Å; E275-K278 WeakPolarHBondContact O-CG 3.28Å; E275-K278 IonicContact OE1-NZ 2.98Å; E275-K278 PolarHBondContact OE1-NZ 3.31Å; K278-F281 CarbonylContact O-C 3.09Å; K278-F281 PolarHBondContact O-N 2.86Å
279	D	52.3	Low	56	Low	135 Å²	135	112 Å²	112	72%	0.722	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-27.9	-177.1	-50.2	-66.8	0	0	0	112.2	L277	L277-D279 VanDerWaalsContact C-N 3.31Å; L277-D279 PolarHBondContact O-N 3.04Å
280	V	54.7	Low	54.2	Low	80 Å²	80	109 Å²	109	49%	0.485	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.5	-26.9	170	-175.5	0	0	0	0	111.3	L277 P282	L277-V280 HydrophobicContact CD2-CG2 4.32Å; L277-V280 PolarHBondContact O-N 3.48Å; V280-P282 VanDerWaalsContact C-CD 3.44Å; V280-P282 WeakPolarHBondContact O-CD 3.32Å
281	F	54.1	Low	52.2	Low	14 Å²	14	111.1 Å²	111.1	6%	0.061	58%	0.576	C	S	.	*	S	Bend	trans	-125.5	60.9	-175.3	-70.1	-52.5	0	0	0	113.6	L260 L263 R264 L277 K278 Q283	L260-F281 HydrophobicContact CD1-CE1 4.01Å; L260-F281 HydrophobicContact CD1-CZ 3.89Å; L260-F281 HydrophobicContact CD2-CE1 3.91Å; L260-F281 HydrophobicContact CG-CE1 3.68Å; L260-F281 HydrophobicContact CG-CZ 3.92Å; L263-F281 HydrophobicContact CD2-CE2 4.22Å; L263-F281 HydrophobicContact CD2-CZ 4.14Å; L263-F281 HydrophobicContact CG-CE2 4.2Å; L263-F281 HydrophobicContact CG-CZ 4.23Å; R264-F281 HydrophobicContact CB-CD1 4.3Å; R264-F281 HydrophobicContact CB-CE1 3.9Å; R264-F281 HydrophobicContact CB-CE2 4.44Å; R264-F281 HydrophobicContact CB-CZ 3.97Å; R264-F281 HydrophobicContact CG-CD1 4.08Å; R264-F281 HydrophobicContact CG-CE1 4.2Å; R264-F281 HydrophobicContact CG-CG 4.29Å; R264-F281 VanDerWaalsContact NE-CD1 3.3Å; R264-F281 PolarHBondContact NH1-O 3.47Å; L277-F281 HydrophobicContact CB-CD2 3.98Å; L277-F281 HydrophobicContact CB-CE2 4.46Å; L277-F281 WeakPolarHBondContact O-CB 3.31Å; L277-F281 PolarHBondContact O-N 3.03Å; K278-F281 CarbonylContact O-C 3.09Å; K278-F281 PolarHBondContact O-N 2.86Å; F281-Q283 PolarHBondContact O-N 3.2Å
282	P	44.3	Very low	50.6	Low	85 Å²	85	113.3 Å²	113.3	55%	0.552	58%	0.582	S	S	*	*			trans	-51.1	141.1	178.1	20.7	-32.7	0	0	0	111.5	R264 V280	R264-P282 PolarHBondContact NH1-O 3.45Å; R264-P282 PolarHBondContact NH2-O 3.06Å; V280-P282 VanDerWaalsContact C-CD 3.44Å; V280-P282 WeakPolarHBondContact O-CD 3.32Å
283	Q	41.9	Very low	48.9	Very low	134 Å²	134	118.5 Å²	118.5	63%	0.626	60%	0.598	S	S	*	*			trans	-86	138.9	176.7	-67.2	-165.1	-12.4	0	0	110.3	F281 E285	F281-Q283 PolarHBondContact O-N 3.2Å; Q283-E285 VanDerWaalsContact C-N 3.31Å; Q283-E285 PolarHBondContact O-N 3.48Å
284	N	39.2	Very low	47.3	Very low	175 Å²	175	124.9 Å²	124.9	94%	0.936	63%	0.627	S	S	*	*			trans	-79.4	78.9	174	-76.9	-43.2	0	0	0	110.2
285	E	35	Very low	45.8	Very low	178 Å²	178	129.1 Å²	129.1	83%	0.832	64%	0.644	S	S	*	*			trans	-83.3	139.9	153.1	-61.7	-145.6	146.3	0	0	109.4	Q283 G287	Q283-E285 VanDerWaalsContact C-N 3.31Å; Q283-E285 PolarHBondContact O-N 3.48Å; E285-G287 PolarHBondContact O-N 2.87Å
286	G	41.8	Very low	44.3	Very low	92 Å²	92	130.9 Å²	130.9	95%	0.948	66%	0.656	S	S	*	*	S	Bend	trans	-82.7	116.3	-156	0	0	0	0	0	115.1
287	G	37.5	Very low	42.7	Very low	70 Å²	70	127.6 Å²	127.6	72%	0.722	65%	0.653	S	S	*	*			trans	126.2	77.9	146.4	0	0	0	0	0	118.3	E285	E285-G287 PolarHBondContact O-N 2.87Å
288	R	40.7	Very low	41.5	Very low	188 Å²	188	134.1 Å²	134.1	71%	0.709	68%	0.679	S	S	*	*			trans	-164.9	61.2	153.6	-109	161.1	-157.9	-86.4	-2	112.5	N290 E291	R288-N290 PolarHBondContact O-N 3.12Å; R288-N290 VanDerWaalsContact O-N 3.14Å; R288-E291 WeakPolarHBondContact CD-OE2 3.26Å; R288-E291 IonicContact CZ-OE2 2.69Å; R288-E291 IonicContact NE-OE2 3.4Å; R288-E291 IonicContact NH1-OE1 2.7Å; R288-E291 PolarHBondContact NH1-OE1 2.9Å; R288-E291 IonicContact NH1-OE2 3.69Å; R288-E291 PolarHBondContact NH1-OE2 2.78Å
289	R	35.8	Very low	40.3	Very low	238 Å²	238	135.3 Å²	135.3	90%	0.898	70%	0.695	S	S	*	*			trans	-74	-1.3	-172	-142.8	177.1	-166.9	170.1	5.1	115.8
290	N	38.1	Very low	39.3	Very low	130 Å²	130	136.2 Å²	136.2	70%	0.695	70%	0.699	S	S	*	*	S	Bend	trans	-108.5	-28	-169.2	-63.3	3.4	0	0	0	113.8	R288 L292 R293	R288-N290 PolarHBondContact O-N 3.12Å; R288-N290 VanDerWaalsContact O-N 3.14Å; N290-L292 PolarHBondContact O-N 2.88Å; N290-R293 WeakPolarHBondContact O-CB 3.4Å; N290-R293 PolarHBondContact O-N 2.74Å; N290-R293 VanDerWaalsContact O-N 3.08Å
291	E	36.1	Very low	38.1	Very low	103 Å²	103	135.6 Å²	135.6	48%	0.481	71%	0.709	S	S	.	*	H	α-helix	trans	-70.7	-33.7	-168.3	-140.3	151.7	-178.9	0	0	112.6	R288 R293	R288-E291 WeakPolarHBondContact CD-OE2 3.26Å; R288-E291 IonicContact CZ-OE2 2.69Å; R288-E291 IonicContact NE-OE2 3.4Å; R288-E291 IonicContact NH1-OE1 2.7Å; R288-E291 PolarHBondContact NH1-OE1 2.9Å; R288-E291 IonicContact NH1-OE2 3.69Å; R288-E291 PolarHBondContact NH1-OE2 2.78Å; E291-R293 VanDerWaalsContact C-N 3.32Å; E291-R293 PolarHBondContact O-N 3.23Å
292	L	36.4	Very low	36.9	Very low	137 Å²	137	142.5 Å²	142.5	72%	0.717	75%	0.746	S	S	*	*	H	α-helix	trans	-70.7	-23.9	171.9	-78.8	167.3	0	0	0	113.6	N290 E294	N290-L292 PolarHBondContact O-N 2.88Å; L292-E294 VanDerWaalsContact C-N 3.32Å
293	R	34.9	Very low	36.5	Very low	216 Å²	216	143.7 Å²	143.7	82%	0.815	75%	0.752	S	S	*	*	H	α-helix	trans	-78	-21.2	-177.3	-152.7	179.3	-156.7	-77.4	-2.2	112.7	N290 E291	N290-R293 WeakPolarHBondContact O-CB 3.4Å; N290-R293 PolarHBondContact O-N 2.74Å; N290-R293 VanDerWaalsContact O-N 3.08Å; E291-R293 VanDerWaalsContact C-N 3.32Å; E291-R293 PolarHBondContact O-N 3.23Å
294	E	36.4	Very low	36.2	Very low	147 Å²	147	147 Å²	147	69%	0.687	76%	0.764	S	S	*	*	H	α-helix	trans	-92.2	-36.2	-176.8	-163.3	161.3	-149.6	0	0	112.2	L292 G297	L292-E294 VanDerWaalsContact C-N 3.32Å; E294-G297 PolarHBondContact O-N 2.8Å
295	R	35.8	Very low	36	Very low	213 Å²	213	146.7 Å²	146.7	80%	0.804	76%	0.757	S	S	*	*	H	α-helix	trans	-67.8	-35.3	174.1	-77.2	-171.2	169.1	-161.4	-4.7	113.7	G297	R295-G297 VanDerWaalsContact C-N 3.3Å; R295-G297 PolarHBondContact O-N 2.86Å
296	L	37.7	Very low	35.8	Very low	139 Å²	139	142.3 Å²	142.3	73%	0.728	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-2.6	174.9	-86.3	159.4	0	0	0	114	K298	L296-K298 PolarHBondContact O-N 3.36Å
297	G	33.7	Very low	35.2	Very low	59 Å²	59	142 Å²	142	61%	0.608	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	1.7	-169.9	0	0	0	0	0	116.7	E294 R295	E294-G297 PolarHBondContact O-N 2.8Å; R295-G297 VanDerWaalsContact C-N 3.3Å; R295-G297 PolarHBondContact O-N 2.86Å
298	K	40.1	Very low	34.7	Very low	182 Å²	182	149.3 Å²	149.3	79%	0.791	73%	0.731	S	S	*	*	S	Bend	trans	-124.2	-6	-167.8	-69	-175	178.7	177.3	0	116.6	L296	L296-K298 PolarHBondContact O-N 3.36Å
299	T	39.7	Very low	34.4	Very low	126 Å²	126	146.5 Å²	146.5	77%	0.773	72%	0.72	S	S	*	*	S	Bend	trans	-134.7	35.8	-175.7	47.2	0	0	0	0	114
300	L	31.1	Very low	34.4	Very low	154 Å²	154	141 Å²	141	81%	0.806	71%	0.708	S	S	*	*			trans	-146.6	88.6	161.5	-159.6	67.8	0	0	0	112
301	G	29.4	Very low	34.3	Very low	67 Å²	67	139.2 Å²	139.2	69%	0.691	71%	0.711	S	S	*	*			trans	-71.8	140.3	160.3	0	0	0	0	0	110.3
302	D	30.3	Very low	34.5	Very low	159 Å²	159	137.5 Å²	137.5	85%	0.85	71%	0.71	S	S	*	*			trans	45.9	92.7	163.1	-60.1	-39.1	0	0	0	119.3
303	T	34.3	Very low	34.8	Very low	110 Å²	110	136.9 Å²	136.9	68%	0.675	71%	0.708	S	S	*	*				-162.8	118	118.3	13.5	0	0	0	0	111.2	H305	T303-H305 PolarHBondContact O-N 2.64Å; T303-H305 VanDerWaalsContact O-N 3.15Å
304	K	35.7	Very low	35.4	Very low	204 Å²	204	128.8 Å²	128.8	89%	0.887	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-0	-171	-129.5	170.8	-172.8	170	0	115.3
305	H	34.7	Very low	35.9	Very low	168 Å²	168	122 Å²	122	78%	0.778	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-33.8	-175.6	-89	-107.4	0	0	0	114.3	T303 A307 R308	T303-H305 PolarHBondContact O-N 2.64Å; T303-H305 VanDerWaalsContact O-N 3.15Å; H305-A307 VanDerWaalsContact C-N 3.28Å; H305-A307 PolarHBondContact O-N 3.13Å; H305-R308 PolarHBondContact O-N 2.87Å
306	E	32	Very low	36.1	Very low	87 Å²	87	114.4 Å²	114.4	41%	0.407	63%	0.632	S	S	.	*	G	3₁₀ helix	trans	-68.6	-27.9	-175	-163.2	56.3	-130.9	0	0	112.9	R308 R309	E306-R308 PolarHBondContact O-N 3.22Å; E306-R309 PolarHBondContact O-N 2.93Å; E306-R309 WeakPolarHBondContact OE1-CB 3.32Å; E306-R309 IonicContact OE1-CZ 3.93Å; E306-R309 IonicContact OE1-NE 3.15Å; E306-R309 PolarHBondContact OE1-NE 2.65Å; E306-R309 IonicContact OE1-NH2 3.21Å; E306-R309 PolarHBondContact OE1-NH2 3.43Å; E306-R309 IonicContact OE2-CZ 3.53Å; E306-R309 IonicContact OE2-NE 2.7Å; E306-R309 PolarHBondContact OE2-NE 3.14Å; E306-R309 IonicContact OE2-NH2 2.72Å; E306-R309 PolarHBondContact OE2-NH2 2.97Å
307	A	29.4	Very low	36.4	Very low	86 Å²	86	113.6 Å²	113.6	71%	0.711	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-58.6	-8.3	176.9	0	0	0	0	0	114.6	H305	H305-A307 VanDerWaalsContact C-N 3.28Å; H305-A307 PolarHBondContact O-N 3.13Å
308	R	27	Very low	36.6	Very low	223 Å²	223	115.1 Å²	115.1	84%	0.842	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-91.6	-18	174.8	-155.8	174.1	-171.1	177.5	3.1	114.2	H305 E306	H305-R308 PolarHBondContact O-N 2.87Å; E306-R308 PolarHBondContact O-N 3.22Å
309	R	33	Very low	36.4	Very low	129 Å²	129	112 Å²	112	49%	0.487	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.5	-15.5	-177.4	-78.4	-156.5	-82.1	-135.2	-0.5	115.1	E239 E306 A311	E239-R309 IonicContact OE1-CZ 3.39Å; E239-R309 IonicContact OE1-NH1 3.8Å; E239-R309 PolarHBondContact OE1-NH1 2.76Å; E306-R309 PolarHBondContact O-N 2.93Å; E306-R309 WeakPolarHBondContact OE1-CB 3.32Å; E306-R309 IonicContact OE1-CZ 3.93Å; E306-R309 IonicContact OE1-NE 3.15Å; E306-R309 PolarHBondContact OE1-NE 2.65Å; E306-R309 IonicContact OE1-NH2 3.21Å; E306-R309 PolarHBondContact OE1-NH2 3.43Å; E306-R309 IonicContact OE2-CZ 3.53Å; E306-R309 IonicContact OE2-NE 2.7Å; E306-R309 PolarHBondContact OE2-NE 3.14Å; E306-R309 IonicContact OE2-NH2 2.72Å; E306-R309 PolarHBondContact OE2-NH2 2.97Å; R309-A311 PolarHBondContact O-N 3.44Å
310	I	37.4	Very low	36	Very low	123 Å²	123	111.3 Å²	111.3	63%	0.631	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	4.2	-178.6	-43.2	-174.9	0	0	0	112.1	F317	I310-F317 HydrophobicContact CG1-CE2 4.3Å; I310-F317 HydrophobicContact CG1-CZ 4.08Å; I310-F317 HydrophobicContact CG2-CE2 4.45Å; I310-F317 HydrophobicContact CG2-CZ 4.45Å
311	A	34.4	Very low	35.8	Very low	92 Å²	92	112.9 Å²	112.9	76%	0.76	60%	0.599	S	S	*	*			trans	-108.3	33.4	-174.5	0	0	0	0	0	114.3	R309	R309-A311 PolarHBondContact O-N 3.44Å
312	S	40.4	Very low	35.7	Very low	67 Å²	67	118.6 Å²	118.6	47%	0.469	61%	0.608	S	S	.	*			trans	-130.9	128.9	173.7	59.4	0	0	0	0	112.5	S314	S312-S314 PolarHBondContact O-N 2.91Å; S312-S314 PolarHBondContact OG-OG 2.85Å
313	D	44.3	Very low	35.3	Very low	124 Å²	124	116.6 Å²	116.6	66%	0.663	60%	0.601	S	S	*	*			trans	-70.2	21.7	-178.2	-54.6	-78.6	0	0	0	115.1	L260	L260-D313 PolarHBondContact N-O 3.08Å; L260-D313 VanDerWaalsContact N-O 3.08Å
314	S	47.3	Very low	35	Very low	46 Å²	46	119.8 Å²	119.8	32%	0.322	61%	0.608	S	S	.	*			trans	-82.1	146.4	-177	62	0	0	0	0	112.1	S312 S316	S312-S314 PolarHBondContact O-N 2.91Å; S312-S314 PolarHBondContact OG-OG 2.85Å; S314-S316 WeakPolarHBondContact CB-OG 3.43Å; S314-S316 PolarHBondContact O-N 3.39Å; S314-S316 PolarHBondContact OG-OG 2.76Å
315	L	45.9	Very low	34.4	Very low	3 Å²	3	116 Å²	116	2%	0.016	60%	0.602	C	S	.	*	G	3₁₀ helix	trans	-67.2	0.5	178	-61.5	169.4	0	0	0	113.7	L246 F257 L260 F317 L318	L246-L315 HydrophobicContact CB-CD1 3.82Å; F257-L315 WeakPolarHBondContact O-CD1 3.39Å; L260-L315 HydrophobicContact CB-CD2 4.24Å; L260-L315 HydrophobicContact CD1-CD2 3.79Å; L315-F317 PolarHBondContact O-N 3.46Å; L315-L318 HydrophobicContact CB-CD1 4.4Å; L315-L318 HydrophobicContact CD2-CD1 3.92Å; L315-L318 WeakPolarHBondContact O-CB 3.43Å; L315-L318 PolarHBondContact O-N 3.04Å; L315-L318 VanDerWaalsContact O-N 3.16Å
316	S	40.1	Very low	33.9	Very low	54 Å²	54	112.4 Å²	112.4	38%	0.378	60%	0.601	S	S	.	*	G	3₁₀ helix	trans	-54.6	-32.1	179.6	-44.4	0	0	0	0	113.8	S314 L318	S314-S316 WeakPolarHBondContact CB-OG 3.43Å; S314-S316 PolarHBondContact O-N 3.39Å; S314-S316 PolarHBondContact OG-OG 2.76Å; S316-L318 VanDerWaalsContact C-N 3.26Å; S316-L318 PolarHBondContact O-N 3.31Å
317	F	43.3	Very low	33.7	Very low	123 Å²	123	113.8 Å²	113.8	54%	0.539	62%	0.62	S	S	.	*	G	3₁₀ helix	trans	-73.3	-13.1	-178.2	-114.4	-79.5	0	0	0	114.2	I310 L315 F319	I310-F317 HydrophobicContact CG1-CE2 4.3Å; I310-F317 HydrophobicContact CG1-CZ 4.08Å; I310-F317 HydrophobicContact CG2-CE2 4.45Å; I310-F317 HydrophobicContact CG2-CZ 4.45Å; L315-F317 PolarHBondContact O-N 3.46Å; F317-F319 PolarHBondContact O-N 2.93Å
318	L	38	Very low	33.7	Very low	91 Å²	91	115.3 Å²	115.3	48%	0.476	62%	0.623	S	S	.	*	G	3₁₀ helix	trans	-77.4	0.5	179.2	-63.8	173.7	0	0	0	113.8	L315 S316	L315-L318 HydrophobicContact CB-CD1 4.4Å; L315-L318 HydrophobicContact CD2-CD1 3.92Å; L315-L318 WeakPolarHBondContact O-CB 3.43Å; L315-L318 PolarHBondContact O-N 3.04Å; L315-L318 VanDerWaalsContact O-N 3.16Å; S316-L318 VanDerWaalsContact C-N 3.26Å; S316-L318 PolarHBondContact O-N 3.31Å
319	F	37	Very low	33.6	Very low	117 Å²	117	113.4 Å²	113.4	51%	0.513	62%	0.624	S	S	.	*	G	3₁₀ helix	trans	-125	16	-171.6	-70.6	-81.5	0	0	0	114.3	F213 V244 F317	F213-F319 HydrophobicContact CZ-CE1 4.4Å; V244-F319 HydrophobicContact CG1-CE2 4.03Å; F317-F319 PolarHBondContact O-N 2.93Å
320	V	30.1	Very low	33.4	Very low	110 Å²	110	112.2 Å²	112.2	67%	0.667	63%	0.63	S	S	*	*	S	Bend	trans	-138.9	127.1	174.9	-175.8	0	0	0	0	111.6
321	K	28.4	Very low	32.9	Very low	187 Å²	187	115.3 Å²	115.3	81%	0.813	64%	0.639	S	S	*	*			trans	70.1	116.2	173.9	-92.5	-168.5	171.3	-168.9	0	118.2
322	E	25.6	Very low	32.3	Very low	188 Å²	188	116.3 Å²	116.3	88%	0.879	64%	0.636	S	S	*	*			trans	-55.6	149.8	143.7	-68.3	156.5	123.6	0	0	110.6
323	V	23.7	Very low	31.5	Very low	116 Å²	116	123.5 Å²	123.5	70%	0.703	65%	0.654	S	S	*	*			trans	-138.9	104.1	172.6	-178.3	0	0	0	0	107.6	V325	V323-V325 HydrophobicContact CG1-CG2 3.94Å
324	E	26.3	Very low	30.6	Very low	178 Å²	178	125.3 Å²	125.3	83%	0.832	66%	0.656	S	S	*	*			trans	-65.7	138	163.5	-65.3	-168.8	131.1	0	0	109.7
325	V	23.3	Very low	29.4	Very low	124 Å²	124	132.1 Å²	132.1	75%	0.752	68%	0.683	S	S	*	*			trans	-132.6	122.3	170.2	-176.5	0	0	0	0	108.4	V323	V323-V325 HydrophobicContact CG1-CG2 3.94Å
326	A	25.2	Very low	28.4	Very low	92 Å²	92	138.8 Å²	138.8	76%	0.76	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-64.3	152.1	-179.4	0	0	0	0	0	113
327	S	26.3	Very low	27.6	Very low	117 Å²	117	141.6 Å²	141.6	82%	0.818	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-61.5	148.1	173.4	-71.5	0	0	0	0	112.1
328	P	30.2	Very low	26.7	Very low	117 Å²	117	143.6 Å²	143.6	76%	0.76	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-89.6	134	-174	33.9	-33.8	0	0	0	113.3
329	E	24.4	Very low	25.9	Very low	184 Å²	184	146.4 Å²	146.4	86%	0.86	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-81.9	129.5	165.9	-80.1	-160.2	135.3	0	0	113.2
330	V	28.9	Very low	26.5	Very low	103 Å²	103	145.1 Å²	145.1	62%	0.624	76%	0.764	S	S	*	*			trans	53.3	127.1	132.2	-174.5	0	0	0	0	119.6	T332	V330-T332 HydrophobicContact CG1-CG2 3.88Å
331	K	26.6	Very low	26.3	Very low	188 Å²	188	148.3 Å²	148.3	82%	0.817	77%	0.768	S	S	*	*			trans	-128	122.2	136.8	-73.3	-167.7	176.2	176.6	0	110.9
332	T	22.9	Very low	26.2	Very low	113 Å²	113	145.3 Å²	145.3	69%	0.693	76%	0.761	S	S	*	*			trans	-73.5	155.2	176	44.9	0	0	0	0	111.9	V330	V330-T332 HydrophobicContact CG1-CG2 3.88Å
333	Y	24.2	Very low	26.2	Very low	219 Å²	219	146 Å²	146	86%	0.859	76%	0.761	S	S	*	*			trans	-139.2	116.2	150.9	-85.2	-70.5	0	0	0	111.2
334	K	24.6	Very low	26.3	Very low	162 Å²	162	143.3 Å²	143.3	70%	0.704	76%	0.758	S	S	*	*			trans	56.5	104.1	156.6	-68.7	-170.9	154.2	-148.2	0	119.7	E336	K334-E336 IonicContact NZ-OE1 2.67Å; K334-E336 PolarHBondContact NZ-OE1 2.93Å
335	E	22.9	Very low	26.2	Very low	189 Å²	189	141.2 Å²	141.2	88%	0.883	76%	0.757	S	S	*	*			trans	-59.4	136.5	134.9	172.1	-176.5	-149.8	0	0	110.8
336	E	24.5	Very low	26.4	Very low	142 Å²	142	141.8 Å²	141.8	66%	0.664	76%	0.755	S	S	*	*			trans	-145.6	88.8	161.5	-104	178	-134.7	0	0	110.9	K334	K334-E336 IonicContact NZ-OE1 2.67Å; K334-E336 PolarHBondContact NZ-OE1 2.93Å
337	T	23.3	Very low	26.4	Very low	113 Å²	113	143.7 Å²	143.7	69%	0.693	75%	0.748	S	S	*	*			trans	60	137.1	138.3	-9.3	0	0	0	0	122.9
338	L	23.8	Very low	26.5	Very low	166 Å²	166	145.7 Å²	145.7	87%	0.869	74%	0.742	S	S	*	*			trans	103.9	110.3	152.2	-57.8	177.4	0	0	0	120.3
339	D	22.1	Very low	26.3	Very low	150 Å²	150	146.7 Å²	146.7	80%	0.802	74%	0.737	S	S	*	*			trans	-61.6	179.1	148.9	-132.1	-9.2	0	0	0	111.8
340	P	49.7	Very low	26.4	Very low	90 Å²	90	146.3 Å²	146.3	58%	0.584	74%	0.735	S	S	*	*			cis	-136	173.8	-15.5	30.8	-10.2	0	0	0	115.3
341	K	24.6	Very low	26.2	Very low	176 Å²	176	144.4 Å²	144.4	77%	0.765	74%	0.736	S	S	*	*				162.8	137.1	119.4	-92.3	166.1	-178.8	168.5	0	119.4
342	N	26.8	Very low	26.1	Very low	125 Å²	125	144.4 Å²	144.4	67%	0.668	74%	0.739	S	S	*	*			trans	77.5	120.5	133.1	-72.6	-15.6	0	0	0	124.2
343	K	26.3	Very low	26.2	Very low	201 Å²	201	147.1 Å²	147.1	87%	0.874	74%	0.744	S	S	*	*			trans	67.5	141.7	141.7	-61.4	-179.9	176	-171.6	0	118.4
344	G	25	Very low	26.3	Very low	61 Å²	61	144.9 Å²	144.9	63%	0.629	74%	0.741	S	S	*	*			cis	-163.2	154.2	-1.9	0	0	0	0	0	110.9
345	T	24.7	Very low	26.3	Very low	134 Å²	134	144.4 Å²	144.4	82%	0.822	74%	0.742	S	S	*	*				57.4	128.2	96.5	-10.3	0	0	0	0	113.9
346	L	27.3	Very low	26.5	Very low	135 Å²	135	141.8 Å²	141.8	71%	0.707	73%	0.732	S	S	*	*			cis	-134.3	148.9	21.2	-98.5	89.1	0	0	0	111.8
347	E	26.5	Very low	26.5	Very low	132 Å²	132	140.9 Å²	140.9	62%	0.617	74%	0.742	S	S	*	*				59.7	116.7	101.8	-56.2	-157.2	112	0	0	117.7
348	K	27.1	Very low	26.6	Very low	160 Å²	160	144 Å²	144	70%	0.696	75%	0.749	S	S	*	*				91.4	157.1	97.2	-77.5	-178.5	177.2	161.2	0	114.4
349	Q	26.8	Very low	26.7	Very low	138 Å²	138	143.3 Å²	143.3	65%	0.645	75%	0.751	S	S	*	*			cis	-154.1	145.3	0.8	-119.1	174	-63.4	0	0	108.3
350	E	25.3	Very low	26.8	Very low	175 Å²	175	145.4 Å²	145.4	82%	0.818	76%	0.756	S	S	*	*				66.6	144.2	94.9	-67.4	175.6	178.3	0	0	118.4
351	G	24.6	Very low	25.7	Very low	63 Å²	63	144.6 Å²	144.6	65%	0.649	76%	0.764	S	S	*	*			trans	111.5	118.6	176.5	0	0	0	0	0	113.4
352	E	25	Very low	25.8	Very low	189 Å²	189	144.8 Å²	144.8	88%	0.883	77%	0.768	S	S	*	*			cis	76.8	142.3	45	-63	175.2	-179.5	0	0	114.1
353	E	25.6	Very low	25.8	Very low	169 Å²	169	146.7 Å²	146.7	79%	0.79	77%	0.773	S	S	*	*			cis	-168.7	179.3	-28.6	-151.4	163.4	-135.1	0	0	108.2
354	E	25.2	Very low	25.7	Very low	172 Å²	172	142.5 Å²	142.5	80%	0.804	76%	0.764	S	S	*	*			trans	61.2	169.9	164.1	-71.1	-172	166.8	0	0	119.8
355	E	25.8	Very low	25.8	Very low	153 Å²	153	144 Å²	144	72%	0.715	77%	0.765	S	S	*	*				-158.7	172.9	-55	-140.9	-159.9	165.6	0	0	110.7
356	I	26.4	Very low	26	Very low	133 Å²	133	147.2 Å²	147.2	68%	0.682	77%	0.771	S	S	*	*			trans	4.7	141	165.9	38.2	171.6	0	0	0	122.8
357	S	24.7	Very low	26	Very low	123 Å²	123	144.5 Å²	144.5	86%	0.86	78%	0.775	S	S	*	*				-176.2	158.4	102	37.7	0	0	0	0	115.1
358	E	26.4	Very low	26.1	Very low	180 Å²	180	147 Å²	147	84%	0.841	79%	0.787	S	S	*	*			trans	-98.4	166.2	-175.9	-50.1	162.7	118.4	0	0	112.6
359	T	24.6	Very low	26	Very low	150 Å²	150	145.6 Å²	145.6	92%	0.92	79%	0.792	S	S	*	*			trans	-163.6	163	135.9	2.7	0	0	0	0	112.4
360	Q	25.2	Very low	26	Very low	194 Å²	194	143.9 Å²	143.9	91%	0.907	80%	0.795	S	S	*	*			trans	-122.2	160	-163.2	-55.9	173.3	-62.9	0	0	114.4
361	G	25.6	Very low	26.1	Very low	73 Å²	73	144.8 Å²	144.8	75%	0.753	80%	0.799	S	S	*	*			trans	87.7	164.1	142.9	0	0	0	0	0	118.3
362	E	26.4	Very low	26.2	Very low	180 Å²	180	150.1 Å²	150.1	84%	0.841	81%	0.812	S	S	*	*			cis	-166.7	163.4	-18.1	-149.5	170.7	-178.6	0	0	109.1
363	E	26.9	Very low	26.3	Very low	166 Å²	166	143.8 Å²	143.8	78%	0.776	80%	0.798	S	S	*	*			trans	66.1	152.4	166	-60.4	-162.2	162.4	0	0	118.5
364	T	25.5	Very low	26.5	Very low	113 Å²	113	144.7 Å²	144.7	69%	0.693	80%	0.802	S	S	*	*			cis	-156.2	164.3	-10.2	14.3	0	0	0	0	112.6
365	S	26.1	Very low	26.6	Very low	93 Å²	93	145 Å²	145	65%	0.65	80%	0.803	S	S	*	*			trans	65.4	115.4	150.4	66.1	0	0	0	0	123.6
366	E	28.8	Very low	26.7	Very low	201 Å²	201	146.6 Å²	146.6	94%	0.939	81%	0.811	S	S	*	*				67.5	131.8	129.4	-62.8	179.2	-157.5	0	0	122.3
367	G	27.3	Very low	26.6	Very low	78 Å²	78	143.8 Å²	143.8	80%	0.804	82%	0.815	S	S	*	*			trans	134.2	88.2	159.4	0	0	0	0	0	115.4
368	E	29.3	Very low	26.7	Very low	184 Å²	184	147.7 Å²	147.7	86%	0.86	82%	0.819	S	S	*	*			trans	-73.9	142.1	177	-56.7	174.2	129	0	0	112.7
369	T	24.1	Very low	26.5	Very low	130 Å²	130	142.8 Å²	142.8	80%	0.798	82%	0.818	S	S	*	*				175.7	136.3	108.3	28.5	0	0	0	0	114.8
370	S	27.3	Very low	26.6	Very low	102 Å²	102	141.4 Å²	141.4	71%	0.713	81%	0.814	S	S	*	*			trans	59	127.3	150.3	54.1	0	0	0	0	123.4
371	E	26.4	Very low	26.5	Very low	195 Å²	195	141.7 Å²	141.7	91%	0.911	82%	0.815	S	S	*	*			trans	80.6	111.9	146.6	-66.4	-179.8	149.4	0	0	121
372	L	27.4	Very low	26.6	Very low	175 Å²	175	143.4 Å²	143.4	92%	0.916	82%	0.816	S	S	*	*			trans	-83	162.1	161.8	-62.7	164.7	0	0	0	108.7
373	G	27.2	Very low	26.5	Very low	56 Å²	56	144 Å²	144	58%	0.577	82%	0.818	S	S	*	*			cis	101.2	92.5	30.7	0	0	0	0	0	108.4
374	E	29.4	Very low	26.5	Very low	187 Å²	187	144.9 Å²	144.9	87%	0.874	82%	0.823	S	S	*	*				73.9	107.7	95.2	-72.3	175.3	-173.8	0	0	111.7
375	E	27.5	Very low	26.4	Very low	180 Å²	180	149.2 Å²	149.2	84%	0.841	84%	0.835	S	S	*	*				62.3	103.9	93.7	-73.5	-163.9	-174.3	0	0	112.7
376	E	27.4	Very low	26.4	Very low	185 Å²	185	153.5 Å²	153.5	86%	0.864	85%	0.845	S	S	*	*				78.1	120.9	79.7	-75.9	-78.7	-177	0	0	112.9
377	G	25.9	Very low	26.3	Very low	75 Å²	75	153.1 Å²	153.1	77%	0.773	84%	0.843	S	S	*	*			trans	165.2	90.9	-177.3	0	0	0	0	0	116.1
378	E	25.7	Very low	26.1	Very low	204 Å²	204	152.1 Å²	152.1	95%	0.953	83%	0.832	S	S	*	*			trans	-46.5	149.8	-176.5	-53.7	176.8	143	0	0	118.3
379	G	22.7	Very low	26.1	Very low	78 Å²	78	150 Å²	150	80%	0.804	82%	0.822	S	S	*	*			trans	-169.6	115.2	164.9	0	0	0	0	0	113.2
380	S	26.2	Very low	26.1	Very low	121 Å²	121	145.8 Å²	145.8	85%	0.846	81%	0.805	S	S	*	*			trans	-78.7	151.7	-173.6	-44.1	0	0	0	0	114.6
381	E	23.6	Very low	26.4	Very low	199 Å²	199	146.4 Å²	146.4	93%	0.93	81%	0.81	S	S	*	*				-163	-177.9	121.9	-113.4	172.2	-158.8	0	0	112.6
382	S	26.3	Very low	26.9	Very low	109 Å²	109	141.1 Å²	141.1	76%	0.762	79%	0.785	S	S	*	*			trans	-87.9	142.7	-163.8	54.9	0	0	0	0	115.5
383	E	26	Very low	27.4	Very low	193 Å²	193	135 Å²	135	90%	0.902	76%	0.757	S	S	*	*			trans	-119.7	158.6	159.7	-65.8	-163.6	145.1	0	0	111.3
384	E	25.7	Very low	28.2	Very low	185 Å²	185	133.5 Å²	133.5	86%	0.864	74%	0.735	S	S	*	*			trans	-93.5	140.9	-171.4	-57.7	-175	130.4	0	0	111.8	E386	E384-E386 PolarHBondContact O-N 3.42Å
385	E	23.9	Very low	28.7	Very low	204 Å²	204	127.8 Å²	127.8	95%	0.953	71%	0.708	S	S	*	*			trans	-74.1	83.8	175.3	-68.8	-173.4	168.4	0	0	111.6
386	E	27	Very low	29.1	Very low	183 Å²	183	122.1 Å²	122.1	86%	0.855	68%	0.681	S	S	*	*			trans	-76.5	130.9	159.8	-75.8	-129.3	131.1	0	0	110.4	E384 G388	E384-E386 PolarHBondContact O-N 3.42Å; E386-G388 PolarHBondContact O-N 3.11Å
387	E	25.6	Very low	29.3	Very low	193 Å²	193	120.7 Å²	120.7	90%	0.902	68%	0.675	S	S	*	*			trans	-69.9	93	173.4	-76.8	-161.9	-178.1	0	0	111	E389	E387-E389 PolarHBondContact O-N 2.76Å
388	G	22.6	Very low	29.4	Very low	56 Å²	56	124.6 Å²	124.6	58%	0.577	67%	0.673	S	S	*	*			trans	-60.9	97.4	171.5	0	0	0	0	0	112.6	E386 G390	E386-G388 PolarHBondContact O-N 3.11Å; G388-G390 PolarHBondContact O-N 3.31Å
389	E	29.9	Very low	29.4	Very low	139 Å²	139	121 Å²	121	65%	0.65	67%	0.67	S	S	*	*			trans	-65.5	86.6	156.6	-76.1	178.4	114.5	0	0	108.4	E387 R772	E387-E389 PolarHBondContact O-N 2.76Å; E389-R772 VanDerWaalsContact CD-NH2 3.29Å; E389-R772 IonicContact OE1-NH2 3.62Å; E389-R772 PolarHBondContact OE1-NH2 3.07Å; E389-R772 VanDerWaalsContact OE1-NH2 3.15Å; E389-R772 IonicContact OE2-CZ 2.83Å; E389-R772 IonicContact OE2-NH1 3.28Å; E389-R772 PolarHBondContact OE2-NH1 2.94Å; E389-R772 IonicContact OE2-NH2 3.66Å; E389-R772 PolarHBondContact OE2-NH2 2.88Å
390	G	25.5	Very low	29.6	Very low	43 Å²	43	122.1 Å²	122.1	44%	0.443	67%	0.666	S	S	.	*			trans	-54.3	142.4	-178.5	0	0	0	0	0	112.7	G388 E392	G388-G390 PolarHBondContact O-N 3.31Å; G390-E392 PolarHBondContact O-N 3.05Å
391	S	32.8	Very low	29.8	Very low	115 Å²	115	124.1 Å²	124.1	80%	0.804	66%	0.662	S	S	*	*			trans	-61.9	99.8	-170.2	-50.9	0	0	0	0	113	S393	S391-S393 PolarHBondContact O-N 3.29Å; S391-S393 VanDerWaalsContact O-N 3.12Å
392	E	37.1	Very low	30	Very low	83 Å²	83	120 Å²	120	39%	0.388	66%	0.655	S	S	.	*			trans	-66.6	108.9	175.1	-66.7	-165.6	164.2	0	0	111.1	G390 E394 I804	G390-E392 PolarHBondContact O-N 3.05Å; E392-E394 VanDerWaalsContact C-N 3.26Å; E392-E394 PolarHBondContact O-N 2.95Å; E392-I804 HydrophobicContact CG-CD1 4.35Å; E392-I804 WeakPolarHBondContact OE1-CD1 3.36Å
393	S	37.4	Very low	30.2	Very low	47 Å²	47	122.6 Å²	122.6	33%	0.329	65%	0.653	S	S	.	*			trans	-73.3	76.5	172.5	43.4	0	0	0	0	111.1	S391 E395 P802	S391-S393 PolarHBondContact O-N 3.29Å; S391-S393 VanDerWaalsContact O-N 3.12Å; S393-E395 PolarHBondContact O-N 2.94Å; S393-P802 PolarHBondContact OG-O 3.31Å
394	E	44.3	Very low	30.2	Very low	25 Å²	25	122.6 Å²	122.6	12%	0.117	65%	0.653	C	S	.	*			trans	-70.5	85.2	175	-68.8	-170.6	115.8	0	0	112.5	E392 E396 R759 R785	E392-E394 VanDerWaalsContact C-N 3.26Å; E392-E394 PolarHBondContact O-N 2.95Å; E394-E396 PolarHBondContact O-N 3.38Å; E394-R759 VanDerWaalsContact CB-NH2 3.26Å; E394-R759 PolarHBondContact O-NH1 3.37Å; E394-R759 IonicContact OE2-CZ 3.08Å; E394-R759 IonicContact OE2-NE 2.73Å; E394-R759 IonicContact OE2-NH2 2.63Å; E394-R759 PolarHBondContact OE2-NH2 3.2Å; E394-R785 IonicContact OE1-CZ 3.45Å; E394-R785 IonicContact OE1-NH1 3.57Å; E394-R785 PolarHBondContact OE1-NH1 3.31Å; E394-R785 IonicContact OE1-NH2 2.7Å
395	E	40.7	Very low	30.3	Very low	66 Å²	66	122.5 Å²	122.5	31%	0.308	65%	0.652	S	S	.	*			trans	-83.9	106.5	172.7	-74.3	172.8	171.5	0	0	111.3	S393 E397 R803 L805	S393-E395 PolarHBondContact O-N 2.94Å; E395-E397 PolarHBondContact O-N 2.81Å; E395-R803 IonicContact OE1-CZ 2.67Å; E395-R803 IonicContact OE1-NH1 3.22Å; E395-R803 PolarHBondContact OE1-NH1 2.96Å; E395-R803 WeakPolarHBondContact OE2-CD 3.22Å; E395-R803 IonicContact OE2-CZ 3.11Å; E395-R803 IonicContact OE2-NE 2.87Å; E395-R803 IonicContact OE2-NH1 3.51Å; E395-R803 PolarHBondContact OE2-NH1 3.2Å; E395-L805 HydrophobicContact CB-CD2 3.81Å; E395-L805 WeakPolarHBondContact O-CD2 3.37Å
396	E	34.4	Very low	30.4	Very low	61 Å²	61	122.4 Å²	122.4	29%	0.285	65%	0.652	S	S	.	*			trans	-90.6	80.4	163.7	-73.5	179.5	-165	0	0	107.7	E394 K751	E394-E396 PolarHBondContact O-N 3.38Å; E396-K751 IonicContact OE1-NZ 2.87Å; E396-K751 PolarHBondContact OE1-NZ 2.63Å; E396-K751 IonicContact OE2-NZ 3.78Å; E396-K751 PolarHBondContact OE2-NZ 2.91Å
397	E	32.6	Very low	30.4	Very low	156 Å²	156	122.4 Å²	122.4	73%	0.729	65%	0.652	S	S	*	*			trans	-69.7	137.4	177.4	-83	-64.1	162.6	0	0	112.9	E395	E395-E397 PolarHBondContact O-N 2.81Å
398	E	28.6	Very low	30.4	Very low	156 Å²	156	118.7 Å²	118.7	73%	0.729	65%	0.647	S	S	*	*			trans	-86.1	117	172.7	-71.9	-166.7	137.4	0	0	110.3	S400	E398-S400 VanDerWaalsContact C-N 3.32Å; E398-S400 PolarHBondContact O-N 3.46Å
399	S	24.3	Very low	30.6	Very low	128 Å²	128	121.3 Å²	121.3	90%	0.895	66%	0.657	S	S	*	*			trans	-70.7	86.3	174	62.9	0	0	0	0	111.1
400	S	28.4	Very low	30.5	Very low	103 Å²	103	123.4 Å²	123.4	72%	0.72	67%	0.667	S	S	*	*			trans	-91.4	122.1	173	47.7	0	0	0	0	110.5	E398 S402	E398-S400 VanDerWaalsContact C-N 3.32Å; E398-S400 PolarHBondContact O-N 3.46Å; S400-S402 PolarHBondContact O-N 3.33Å
401	E	29	Very low	30.5	Very low	162 Å²	162	127.1 Å²	127.1	76%	0.757	69%	0.686	S	S	*	*			trans	-83.9	90.3	-174.5	-172.1	-169.2	163.9	0	0	110.9	K403	E401-K403 WeakPolarHBondContact OE1-CE 3.3Å; E401-K403 IonicContact OE1-NZ 2.74Å
402	S	28.7	Very low	30.1	Very low	113 Å²	113	124.6 Å²	124.6	79%	0.79	68%	0.678	S	S	*	*			trans	-90.5	107.6	172.7	58.5	0	0	0	0	111.4	S400	S400-S402 PolarHBondContact O-N 3.33Å
403	K	29.5	Very low	29.8	Very low	164 Å²	164	129.4 Å²	129.4	71%	0.713	70%	0.701	S	S	*	*			trans	-85.7	126.5	168.1	-64.5	179	-176.1	176.6	0	109.8	E401	E401-K403 WeakPolarHBondContact OE1-CE 3.3Å; E401-K403 IonicContact OE1-NZ 2.74Å
404	E	26.3	Very low	29.3	Very low	192 Å²	192	134.9 Å²	134.9	90%	0.897	72%	0.721	S	S	*	*			trans	-124.2	115.3	157.9	-67.8	-168.9	158.6	0	0	108.2
405	E	27.1	Very low	28.7	Very low	184 Å²	184	141.6 Å²	141.6	86%	0.86	75%	0.752	S	S	*	*			trans	-107.2	126.5	161.8	-70.5	177.7	177.8	0	0	106.6
406	E	27.1	Very low	28.1	Very low	202 Å²	202	146.9 Å²	146.9	94%	0.944	78%	0.777	S	S	*	*			trans	-139.6	146.5	145.3	-78.3	-147.1	150.4	0	0	109.1
407	E	26.7	Very low	27.8	Very low	182 Å²	182	150.7 Å²	150.7	85%	0.85	80%	0.799	S	S	*	*			trans	-100.6	157.1	-175.3	-67.3	-168.5	128.8	0	0	112.7
408	S	25.3	Very low	27.7	Very low	116 Å²	116	148.5 Å²	148.5	81%	0.811	80%	0.802	S	S	*	*			trans	70.3	146.8	159.8	80.2	0	0	0	0	116.2
409	S	26.7	Very low	27.8	Very low	111 Å²	111	144.4 Å²	144.4	78%	0.776	80%	0.801	S	S	*	*			cis	-162.1	155.6	39.8	34.4	0	0	0	0	114.8
410	E	27.2	Very low	28.3	Very low	182 Å²	182	146.5 Å²	146.5	85%	0.85	80%	0.797	S	S	*	*			trans	-8.6	157.3	156.9	-163.9	163.7	-154.3	0	0	122.7
411	S	26.6	Very low	28.7	Very low	121 Å²	121	150 Å²	150	85%	0.846	80%	0.802	S	S	*	*			trans	74.4	144.9	171.9	72.7	0	0	0	0	118.1
412	G	24.9	Very low	28.9	Very low	63 Å²	63	151.1 Å²	151.1	65%	0.649	81%	0.807	S	S	*	*			cis	159.7	148.6	-9.9	0	0	0	0	0	113
413	E	30	Very low	29.4	Very low	184 Å²	184	153.7 Å²	153.7	86%	0.86	81%	0.806	S	S	*	*			trans	63.5	159.1	164.6	-64.6	158.9	-162.7	0	0	115.5
414	E	27.5	Very low	29.7	Very low	162 Å²	162	153 Å²	153	76%	0.757	81%	0.806	S	S	*	*			cis	-158.8	131.5	-20.3	-108.9	179.5	-175.1	0	0	105.8
415	E	30.1	Very low	30.2	Very low	165 Å²	165	149.6 Å²	149.6	77%	0.771	79%	0.794	S	S	*	*				100.1	162.3	102.2	-84.1	-75.6	-166.7	0	0	116.9
416	E	28.3	Very low	30.7	Very low	178 Å²	178	145.5 Å²	145.5	83%	0.832	79%	0.785	S	S	*	*			trans	64.7	150.9	166.3	-65.9	-167.1	-178.1	0	0	121
417	D	28.8	Very low	31	Very low	140 Å²	140	143.9 Å²	143.9	75%	0.749	78%	0.778	S	S	*	*			cis	-167.9	172	-29	-173.2	32.8	0	0	0	110.6
418	S	30.2	Very low	31.3	Very low	111 Å²	111	143.4 Å²	143.4	78%	0.776	78%	0.777	S	S	*	*			trans	72.7	148.8	169	75	0	0	0	0	116.9
419	G	30.7	Very low	31.6	Very low	69 Å²	69	141 Å²	141	71%	0.711	77%	0.771	S	S	*	*			cis	148.8	152.5	5.4	0	0	0	0	0	109
420	E	36.1	Very low	31.8	Very low	173 Å²	173	146.1 Å²	146.1	81%	0.808	78%	0.779	S	S	*	*			cis	-160.3	159.3	4.9	-95.2	171.2	153.1	0	0	110.8
421	E	34.8	Very low	32.1	Very low	176 Å²	176	146 Å²	146	82%	0.822	78%	0.776	S	S	*	*			trans	60.9	161.1	148.9	-65.1	177.4	167.1	0	0	122
422	E	34.8	Very low	32.2	Very low	185 Å²	185	147.5 Å²	147.5	86%	0.864	77%	0.77	S	S	*	*			cis	-128.2	-164.4	5.6	-92.1	179.7	142.6	0	0	109.4
423	E	37.9	Very low	32.4	Very low	168 Å²	168	150.8 Å²	150.8	79%	0.785	78%	0.777	S	S	*	*				-169.1	152.2	-55	-164.4	-138.2	-134.9	0	0	105.1
424	E	37	Very low	32.2	Very low	149 Å²	149	146.3 Å²	146.3	70%	0.696	77%	0.771	S	S	*	*			cis	-139.8	-178.8	-12.5	-146.4	-158.1	-170.6	0	0	104.7
425	N	35.6	Very low	32	Very low	121 Å²	121	143.8 Å²	143.8	65%	0.647	77%	0.771	S	S	*	*			cis	-159	-161.8	-2.4	-151.4	-22.6	0	0	0	104.5
426	S	37.8	Very low	31.9	Very low	98 Å²	98	142.6 Å²	142.6	69%	0.685	77%	0.769	S	S	*	*			cis	-162.2	175	-5.4	53.9	0	0	0	0	106.7
427	E	33.7	Very low	31.7	Very low	168 Å²	168	144.1 Å²	144.1	79%	0.785	77%	0.767	S	S	*	*			cis	-143.8	-145.6	2.4	-155.9	-129.2	80.3	0	0	108.8
428	M	32.4	Very low	31.4	Very low	171 Å²	171	143.3 Å²	143.3	84%	0.842	76%	0.759	S	S	*	*			trans	-90.9	161.2	179.6	-51.5	-131.4	-73.1	0	0	113
429	G	32.6	Very low	31.2	Very low	65 Å²	65	145.7 Å²	145.7	67%	0.67	76%	0.758	S	S	*	*			cis	139	130.8	-5.4	0	0	0	0	0	113.7
430	K	30	Very low	31	Very low	220 Å²	220	148.3 Å²	148.3	96%	0.957	76%	0.759	S	S	*	*			trans	-174.7	163.7	160.2	-106.4	152.5	-169.7	170.1	0	114.8
431	K	34.2	Very low	30.6	Very low	179 Å²	179	148.5 Å²	148.5	78%	0.778	77%	0.765	S	S	*	*			trans	-82.1	179.9	-171.8	-53.6	-179.5	177.3	-179.7	0	113.3
432	E	28.9	Very low	30.1	Very low	153 Å²	153	143.3 Å²	143.3	72%	0.715	76%	0.759	S	S	*	*			cis	-165.2	128.3	27.5	-145.3	147.1	-127.5	0	0	114.2
433	V	28.9	Very low	29.7	Very low	132 Å²	132	140.2 Å²	140.2	80%	0.8	76%	0.758	S	S	*	*				67.1	116.9	124	177.8	0	0	0	0	125.3
434	A	25.8	Very low	29.3	Very low	90 Å²	90	136.4 Å²	136.4	74%	0.744	76%	0.755	S	S	*	*			trans	64.6	110.2	135.7	0	0	0	0	0	126.9
435	S	24.1	Very low	28.7	Very low	109 Å²	109	139.6 Å²	139.6	76%	0.762	77%	0.767	S	S	*	*				66.6	145.7	105.3	-119	0	0	0	0	126.5
436	I	26.4	Very low	28.3	Very low	140 Å²	140	142.3 Å²	142.3	72%	0.718	78%	0.776	S	S	*	*			trans	95.4	130.4	143.1	-74.7	164.9	0	0	0	122.5
437	R	24.6	Very low	27.6	Very low	209 Å²	209	140.5 Å²	140.5	79%	0.789	77%	0.773	S	S	*	*			trans	70.5	164.3	161.3	-75.7	164.8	-166.3	-85.7	7.9	120.3
438	Q	23.9	Very low	27.2	Very low	124 Å²	124	140.6 Å²	140.6	58%	0.579	78%	0.778	S	S	*	*			cis	-179.5	159.5	-35	-162.5	-172	-45.4	0	0	108.8
439	E	25.4	Very low	26.7	Very low	161 Å²	161	136.7 Å²	136.7	75%	0.752	77%	0.773	S	S	*	*			trans	71.2	164.8	164.7	-49	-164.6	158.1	0	0	117.6
440	V	27	Very low	26.3	Very low	123 Å²	123	139.9 Å²	139.9	75%	0.745	78%	0.779	S	S	*	*			cis	163.5	146.6	-46.2	149.5	0	0	0	0	108.5
441	L	26.1	Very low	26	Very low	177 Å²	177	133.2 Å²	133.2	93%	0.927	77%	0.765	S	S	*	*			trans	71.1	156	-177.8	-61.6	152.7	0	0	0	116.3
442	G	24.3	Very low	25.6	Very low	68 Å²	68	133.4 Å²	133.4	70%	0.701	77%	0.769	S	S	*	*			cis	165.5	145.1	-13	0	0	0	0	0	116.1
443	S	27.1	Very low	25.4	Very low	119 Å²	119	135 Å²	135	83%	0.832	78%	0.776	S	S	*	*			trans	58.5	103.7	149.9	-173.8	0	0	0	0	124
444	A	29.8	Very low	25.2	Very low	89 Å²	89	135.3 Å²	135.3	74%	0.736	78%	0.782	S	S	*	*				52.4	145.1	126.8	0	0	0	0	0	125
445	F	24.1	Very low	25.1	Very low	215 Å²	215	134.1 Å²	134.1	94%	0.943	78%	0.779	S	S	*	*			trans	-156.3	174.7	147.5	-121.4	-82.6	0	0	0	112.5
446	Q	26.2	Very low	25	Very low	178 Å²	178	136.6 Å²	136.6	83%	0.832	79%	0.79	S	S	*	*			trans	-150.2	154.7	-151.2	-178.9	-179.7	7.3	0	0	117.1
447	G	24.8	Very low	24.9	Very low	61 Å²	61	133.5 Å²	133.5	63%	0.629	79%	0.792	S	S	*	*			trans	-175.9	138	159.8	0	0	0	0	0	110.7
448	L	23.9	Very low	25	Very low	169 Å²	169	132.9 Å²	132.9	89%	0.885	80%	0.795	S	S	*	*			cis	75.2	133.5	47.8	-69.5	168.1	0	0	0	113.9
449	A	23.1	Very low	25	Very low	89 Å²	89	134 Å²	134	74%	0.736	80%	0.804	S	S	*	*			cis	-165.3	-168.5	-11	0	0	0	0	0	108.6
450	V	23.5	Very low	25.1	Very low	133 Å²	133	131.9 Å²	131.9	81%	0.806	80%	0.802	S	S	*	*			cis	-165.5	165.2	5.5	71.9	0	0	0	0	110.9
451	A	23.5	Very low	25	Very low	79 Å²	79	136.8 Å²	136.8	65%	0.653	81%	0.807	S	S	*	*			trans	65.6	133.3	159.5	0	0	0	0	0	120.3
452	E	25.1	Very low	25	Very low	184 Å²	184	134.1 Å²	134.1	86%	0.86	80%	0.798	S	S	*	*				87.5	141.5	53.7	-98	176.1	155.3	0	0	114
453	E	26.2	Very low	25.1	Very low	186 Å²	186	135 Å²	135	87%	0.869	80%	0.799	S	S	*	*			cis	-135.3	-174.2	19.6	-73.4	-170.4	99.6	0	0	115.5
454	C	24	Very low	25.1	Very low	138 Å²	138	139 Å²	139	93%	0.932	80%	0.804	S	S	*	*			trans	-79	167.9	-179.5	-67.2	0	0	0	0	115.5
455	G	23.6	Very low	24.8	Very low	66 Å²	66	143 Å²	143	68%	0.68	81%	0.808	S	S	*	*			cis	164.2	-161.7	-2.3	0	0	0	0	0	113.8
456	V	22.9	Very low	24.8	Very low	161 Å²	161	140.3 Å²	140.3	98%	0.976	80%	0.802	S	S	*	*			trans	77.2	119.1	176.7	-171.2	0	0	0	0	117.2
457	G	24.1	Very low	24.7	Very low	75 Å²	75	134.8 Å²	134.8	77%	0.773	79%	0.792	S	S	*	*			trans	175.6	37.4	176.5	0	0	0	0	0	122.2
458	K	25.9	Very low	24.5	Very low	195 Å²	195	139.8 Å²	139.8	85%	0.848	80%	0.804	S	S	*	*			trans	0.2	130.2	162.2	-78	-179.8	175.7	176.1	0	120.8
459	I	24.7	Very low	24.4	Very low	149 Å²	149	139 Å²	139	76%	0.764	80%	0.799	S	S	*	*				140.4	125.7	129.4	-80.8	146.7	0	0	0	116.9
460	T	26.4	Very low	24.5	Very low	116 Å²	116	139.6 Å²	139.6	71%	0.712	80%	0.798	S	S	*	*			trans	50.2	127.1	163.9	48.6	0	0	0	0	120.4
461	R	26.6	Very low	24.4	Very low	225 Å²	225	141.1 Å²	141.1	85%	0.849	80%	0.8	S	S	*	*				59.6	134.8	69.5	-67.9	-172.5	173.5	166.2	-4.6	113.5
462	T	26.2	Very low	24.5	Very low	121 Å²	121	142.4 Å²	142.4	74%	0.742	80%	0.8	S	S	*	*			cis	-159.2	130.4	-7.2	15.9	0	0	0	0	105.3
463	A	25.1	Very low	24.5	Very low	87 Å²	87	139.6 Å²	139.6	72%	0.719	80%	0.795	S	S	*	*				61.6	105	78.3	0	0	0	0	0	114.6
464	E	26.4	Very low	24.4	Very low	202 Å²	202	137.6 Å²	137.6	94%	0.944	79%	0.79	S	S	*	*			trans	-174.9	116.6	142.1	-111.2	170.9	-141.5	0	0	111.9
465	Q	24.8	Very low	24.5	Very low	175 Å²	175	136.2 Å²	136.2	82%	0.818	78%	0.782	S	S	*	*			trans	-171.7	135.1	156.5	-119.2	-168.6	4.6	0	0	110.3
466	I	23.9	Very low	24.6	Very low	158 Å²	158	141.8 Å²	141.8	81%	0.81	79%	0.79	S	S	*	*			trans	60.4	130.4	158.2	-50	161.6	0	0	0	116
467	G	23.5	Very low	24.7	Very low	61 Å²	61	138.9 Å²	138.9	63%	0.629	78%	0.777	S	S	*	*			cis	148.1	158.9	-2.2	0	0	0	0	0	111.1
468	L	21.5	Very low	24.8	Very low	166 Å²	166	144.7 Å²	144.7	87%	0.869	78%	0.784	S	S	*	*			trans	64.3	123.5	162.6	-117	167.3	0	0	0	118.5
469	I	22.6	Very low	24.8	Very low	154 Å²	154	144.1 Å²	144.1	79%	0.79	79%	0.785	S	S	*	*				161.9	142.3	124.6	-85.5	163.8	0	0	0	113.2
470	S	23.6	Very low	24.8	Very low	101 Å²	101	144.8 Å²	144.8	71%	0.706	78%	0.784	S	S	*	*			trans	51.4	125.9	164.8	-128.8	0	0	0	0	122.1
471	L	22.7	Very low	24.8	Very low	164 Å²	164	145.2 Å²	145.2	86%	0.859	79%	0.787	S	S	*	*			trans	-65.8	146.3	138.9	-70	158.2	0	0	0	109.3
472	V	25.7	Very low	24.7	Very low	106 Å²	106	139.7 Å²	139.7	64%	0.642	77%	0.774	S	S	*	*			trans	-129	140.2	156.8	175.6	0	0	0	0	106.6
473	V	24.1	Very low	24.7	Very low	126 Å²	126	145 Å²	145	76%	0.764	78%	0.78	S	S	*	*			trans	-101	106.9	175.7	174.6	0	0	0	0	107.3
474	D	24.2	Very low	24.7	Very low	143 Å²	143	149.3 Å²	149.3	77%	0.765	78%	0.783	S	S	*	*			trans	-98.8	123.8	171.8	-65.8	-41.8	0	0	0	109.2
475	S	25.5	Very low	24.6	Very low	109 Å²	109	146 Å²	146	76%	0.762	78%	0.777	S	S	*	*			trans	-117.7	100.7	178.7	-62.7	0	0	0	0	109.6
476	E	26.2	Very low	24.5	Very low	184 Å²	184	142 Å²	142	86%	0.86	77%	0.773	S	S	*	*			trans	-142.7	144.5	174.7	-67.1	-173	158.2	0	0	108.6
477	S	26.1	Very low	24.8	Very low	100 Å²	100	140.1 Å²	140.1	70%	0.699	77%	0.774	S	S	*	*			cis	178.7	139.5	-27.3	46.4	0	0	0	0	104.8
478	E	24.5	Very low	25	Very low	197 Å²	197	145.8 Å²	145.8	92%	0.921	79%	0.785	S	S	*	*			trans	-80.6	132.8	179.1	-60.2	-154.8	156.9	0	0	112.5
479	E	26.6	Very low	25.3	Very low	183 Å²	183	144.9 Å²	144.9	86%	0.855	79%	0.786	S	S	*	*			trans	-116.6	99.6	161.1	-80.9	-160.2	139	0	0	109.4
480	E	24.9	Very low	25.6	Very low	162 Å²	162	146.6 Å²	146.6	76%	0.757	79%	0.788	S	S	*	*			trans	-91.6	121.2	163.2	-163.4	-167.7	-153.5	0	0	110.2
481	V	26.6	Very low	25.8	Very low	125 Å²	125	150 Å²	150	76%	0.758	80%	0.798	S	S	*	*			trans	-120.4	98.6	172.6	179.6	0	0	0	0	110.3
482	N	24.6	Very low	26	Very low	110 Å²	110	151.5 Å²	151.5	59%	0.588	80%	0.797	S	S	*	*			trans	-92.3	120.8	-170.8	-169.7	-26.7	0	0	0	112.7
483	R	25.7	Very low	26.1	Very low	232 Å²	232	155.6 Å²	155.6	88%	0.875	81%	0.81	S	S	*	*			trans	-144.9	119.6	164.5	-74.9	-162.9	175.7	120.6	5.2	113.9
484	K	25.4	Very low	26.2	Very low	178 Å²	178	155.4 Å²	155.4	77%	0.774	81%	0.809	S	S	*	*			trans	-65.7	162.1	161.7	-57.1	171	179.4	169.9	0	109.6
485	T	24.3	Very low	26.2	Very low	133 Å²	133	158.9 Å²	158.9	82%	0.816	82%	0.818	S	S	*	*			cis	-162.1	166.3	17.1	-21	0	0	0	0	111.7
486	A	23.5	Very low	26.3	Very low	89 Å²	89	162.4 Å²	162.4	74%	0.736	82%	0.822	S	S	*	*			trans	65	119.8	155.4	0	0	0	0	0	118.8
487	S	29.3	Very low	26.3	Very low	120 Å²	120	157 Å²	157	84%	0.839	82%	0.816	S	S	*	*				-174.7	170.1	74.3	43.8	0	0	0	0	112.1
488	Q	28.1	Very low	26.4	Very low	180 Å²	180	161 Å²	161	84%	0.841	83%	0.829	S	S	*	*			trans	-80.3	146.5	-177	-62.6	177.4	-5.8	0	0	113.5
489	T	27.9	Very low	26.5	Very low	147 Å²	147	159 Å²	159	90%	0.902	82%	0.817	S	S	*	*			trans	-153.8	144.5	138.9	-4.6	0	0	0	0	110.7
490	K	27.8	Very low	26.4	Very low	189 Å²	189	157.6 Å²	157.6	82%	0.822	81%	0.81	S	S	*	*			trans	-90.1	145	176.9	-63.6	168.5	-179.2	169.9	0	109.5
491	N	27.6	Very low	26.5	Very low	172 Å²	172	158.5 Å²	158.5	92%	0.92	82%	0.819	S	S	*	*			trans	-148.6	147.9	139.5	-99.9	-26.8	0	0	0	110.1
492	K	27.4	Very low	26.4	Very low	196 Å²	196	156.7 Å²	156.7	85%	0.852	82%	0.818	S	S	*	*			trans	-103.4	143.9	173.3	-59.7	175.4	179	-178.7	0	107.7
493	E	27.6	Very low	26.4	Very low	193 Å²	193	160.5 Å²	160.5	90%	0.902	83%	0.829	S	S	*	*			trans	-152.5	146.8	141.9	-127.7	159.6	-147.8	0	0	111
494	T	26.9	Very low	26.4	Very low	121 Å²	121	154.5 Å²	154.5	74%	0.742	82%	0.822	S	S	*	*			trans	-111.1	125	-169	48.4	0	0	0	0	110.5
495	F	24.1	Very low	26.6	Very low	217 Å²	217	156.1 Å²	156.1	95%	0.952	83%	0.825	S	S	*	*			trans	-90.3	120.4	168	-96.4	-88.7	0	0	0	111.4
496	H	27.3	Very low	26.8	Very low	182 Å²	182	157.8 Å²	157.8	84%	0.843	83%	0.828	S	S	*	*			trans	-104.5	125.5	172.3	-113.1	-70.4	0	0	0	109.9
497	G	25.2	Very low	26.8	Very low	72 Å²	72	159.9 Å²	159.9	74%	0.742	83%	0.832	S	S	*	*			trans	68.6	126.8	146.8	0	0	0	0	0	119.5
498	L	28.6	Very low	26.7	Very low	184 Å²	184	166.7 Å²	166.7	96%	0.963	84%	0.839	S	S	*	*			trans	-131.9	145.9	132.6	-97.2	176.2	0	0	0	108.8
499	K	26.3	Very low	26.5	Very low	155 Å²	155	163.3 Å²	163.3	67%	0.674	83%	0.827	S	S	*	*			trans	-133.7	131.3	-176	179.7	176.2	-171.4	-81.7	0	107.9
500	E	26.4	Very low	26.5	Very low	152 Å²	152	161.7 Å²	161.7	71%	0.71	82%	0.822	S	S	*	*			trans	51.5	123.6	165.6	-70.2	151.5	-165.9	0	0	118.3
501	L	25.4	Very low	26.5	Very low	181 Å²	181	160.5 Å²	160.5	95%	0.948	82%	0.816	S	S	*	*				-150.8	138.6	118.7	-108.6	172	0	0	0	109
502	A	24.8	Very low	26.5	Very low	88 Å²	88	162 Å²	162	73%	0.727	82%	0.815	S	S	*	*			trans	-94.1	152.3	-173.6	0	0	0	0	0	111.8
503	F	24.6	Very low	26.5	Very low	190 Å²	190	162.2 Å²	162.2	83%	0.833	82%	0.816	S	S	*	*			trans	-130.1	119.5	159.3	-113.6	-86	0	0	0	110	Y505	F503-Y505 HydrophobicContact CD1-CE2 4.14Å
504	S	26.3	Very low	26.5	Very low	105 Å²	105	162.9 Å²	162.9	73%	0.734	82%	0.816	S	S	*	*			trans	-86.8	145.1	171.8	47.7	0	0	0	0	110.1
505	Y	29.4	Very low	26.3	Very low	213 Å²	213	165.3 Å²	165.3	84%	0.835	82%	0.823	S	S	*	*			trans	-131	146.2	160.4	-98.3	-81.6	0	0	0	111	F503	F503-Y505 HydrophobicContact CD1-CE2 4.14Å
506	L	28.9	Very low	26.3	Very low	167 Å²	167	161 Å²	161	87%	0.874	81%	0.814	S	S	*	*			trans	-90.6	139.8	-164.7	-76.1	145.9	0	0	0	112.1
507	V	23.3	Very low	26.1	Very low	133 Å²	133	162.8 Å²	162.8	81%	0.806	81%	0.814	S	S	*	*			trans	-65	140.2	164.4	175.7	0	0	0	0	109.5
508	W	25.9	Very low	26	Very low	264 Å²	264	165.1 Å²	165.1	100%	1	82%	0.817	S	S	*	*			trans	-118.1	140.4	165	-121.3	27.3	0	0	0	111.2
509	D	25.3	Very low	25.9	Very low	109 Å²	109	163.3 Å²	163.3	58%	0.583	80%	0.804	S	S	*	*			trans	-115.8	125	-155.4	166.9	30.6	0	0	0	111.9	K511	D509-K511 IonicContact OD2-NZ 2.7Å; D509-K511 PolarHBondContact OD2-NZ 3.48Å
510	S	27.3	Very low	25.8	Very low	113 Å²	113	164 Å²	164	79%	0.79	81%	0.81	S	S	*	*			trans	-105.8	76.9	-174.6	-166.7	0	0	0	0	112.1	K512	S510-K512 PolarHBondContact O-N 2.81Å; S510-K512 VanDerWaalsContact O-N 3.08Å
511	K	27.9	Very low	25.6	Very low	164 Å²	164	160.4 Å²	160.4	71%	0.713	81%	0.813	S	S	*	*			trans	-70	99.2	177.7	-74.6	-173.3	166.8	76.7	0	112.6	D509 K513	D509-K511 IonicContact OD2-NZ 2.7Å; D509-K511 PolarHBondContact OD2-NZ 3.48Å; K511-K513 PolarHBondContact O-N 3.15Å
512	K	27.3	Very low	25.5	Very low	204 Å²	204	161.2 Å²	161.2	89%	0.887	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-56.4	133.9	161.9	-67.3	-179.1	179	178.8	0	110.4	S510	S510-K512 PolarHBondContact O-N 2.81Å; S510-K512 VanDerWaalsContact O-N 3.08Å
513	K	28.5	Very low	25.4	Very low	200 Å²	200	161.6 Å²	161.6	87%	0.87	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-103.2	138.3	165.8	-75.9	-169.9	173.5	-174.3	0	110.6	K511	K511-K513 PolarHBondContact O-N 3.15Å
514	K	26.1	Very low	25.4	Very low	207 Å²	207	157.7 Å²	157.7	90%	0.9	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-70.5	142.7	178.4	-69.3	-178.2	175.9	-179.4	0	111
515	L	23.7	Very low	25.3	Very low	171 Å²	171	157.7 Å²	157.7	90%	0.895	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-76.9	141.9	157.6	-170.8	69	0	0	0	108.7
516	V	23.7	Very low	25.2	Very low	128 Å²	128	152 Å²	152	78%	0.776	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-88.7	140	171.2	174.4	0	0	0	0	109
517	R	22.6	Very low	25.2	Very low	218 Å²	218	148.8 Å²	148.8	82%	0.823	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-100.8	139.1	176.9	-179.7	-165.1	-67.6	172.2	-4.3	109.3
518	C	23.4	Very low	25.4	Very low	122 Å²	122	148.4 Å²	148.4	82%	0.824	81%	0.811	S	S	*	*			trans	-113.5	142.7	156.1	-67.1	0	0	0	0	109.8
519	Q	25.9	Very low	25.5	Very low	145 Å²	145	144.5 Å²	144.5	68%	0.678	80%	0.804	S	S	*	*			trans	-85.6	171.9	165.6	-73.4	166.2	-84.9	0	0	108.5
520	E	24.2	Very low	25.5	Very low	170 Å²	170	150.5 Å²	150.5	79%	0.794	82%	0.818	S	S	*	*			cis	-158	174.6	-13.2	-117.4	149.9	-162.1	0	0	107.5
521	G	23.1	Very low	25.6	Very low	76 Å²	76	151.7 Å²	151.7	78%	0.784	82%	0.821	S	S	*	*			trans	178	108.3	173.4	0	0	0	0	0	112.7
522	E	23.6	Very low	25.5	Very low	199 Å²	199	146.7 Å²	146.7	93%	0.93	82%	0.816	S	S	*	*			trans	-86.2	155.4	-179.4	-57.4	174.9	100	0	0	112.4
523	A	23	Very low	25.6	Very low	95 Å²	95	146.2 Å²	146.2	79%	0.785	82%	0.819	S	S	*	*				174.2	135.9	113.9	0	0	0	0	0	114
524	A	24.4	Very low	25.7	Very low	109 Å²	109	142.3 Å²	142.3	90%	0.901	82%	0.815	S	S	*	*			trans	61.5	154.7	151.8	0	0	0	0	0	120.6
525	A	24.5	Very low	25.7	Very low	105 Å²	105	138.1 Å²	138.1	87%	0.868	81%	0.81	S	S	*	*			trans	-144.5	160	-175.6	0	0	0	0	0	111.8
526	A	25.9	Very low	25.9	Very low	92 Å²	92	137.2 Å²	137.2	76%	0.76	81%	0.805	S	S	*	*			trans	-156.2	137.8	159.1	0	0	0	0	0	113.1
527	S	29.1	Very low	26.1	Very low	100 Å²	100	137.5 Å²	137.5	70%	0.699	81%	0.807	S	S	*	*			trans	46	108.6	149.4	60.2	0	0	0	0	121.4
528	T	27.1	Very low	26.3	Very low	126 Å²	126	133.2 Å²	133.2	77%	0.773	80%	0.8	S	S	*	*				40.7	141.5	123.8	57	0	0	0	0	120.9
529	Q	29.5	Very low	26.5	Very low	182 Å²	182	137.9 Å²	137.9	85%	0.85	80%	0.802	S	S	*	*			cis	-157.5	-179.8	36.5	-144.7	168.6	52.4	0	0	113.1
530	R	25.6	Very low	26.6	Very low	234 Å²	234	138.4 Å²	138.4	88%	0.883	81%	0.808	S	S	*	*			trans	-65.1	146.6	175.7	-75	174.2	167	159.4	-7.4	112.7
531	T	28.2	Very low	26.6	Very low	139 Å²	139	136.4 Å²	136.4	85%	0.853	81%	0.808	S	S	*	*				163.4	129.5	129	-67.3	0	0	0	0	105.3
532	G	26.8	Very low	27.1	Very low	59 Å²	59	138.2 Å²	138.2	61%	0.608	81%	0.809	S	S	*	*			cis	115.1	74.7	28.4	0	0	0	0	0	107.4	P534	G532-P534 WeakPolarHBondContact O-CD 3.38Å
533	M	27.8	Very low	27.6	Very low	193 Å²	193	134.6 Å²	134.6	95%	0.951	80%	0.803	S	S	*	*			trans	-75.2	127.3	177.6	-74.4	167.1	55.1	0	0	110.4
534	P	32.3	Very low	27.9	Very low	119 Å²	119	135.4 Å²	135.4	77%	0.773	80%	0.802	S	S	*	*			trans	-123.8	167.6	139.3	37.9	-32.4	0	0	0	112.3	G532	G532-P534 WeakPolarHBondContact O-CD 3.38Å
535	C	26.2	Very low	28.2	Very low	118 Å²	118	139.6 Å²	139.6	80%	0.797	80%	0.803	S	S	*	*			trans	-56.1	151.5	-177.8	-48.8	0	0	0	0	114.2
536	L	27.9	Very low	28.5	Very low	153 Å²	153	139.1 Å²	139.1	80%	0.801	79%	0.793	S	S	*	*			trans	-126.8	92.8	158.2	-79.7	177.5	0	0	0	110.5
537	T	26.4	Very low	28.7	Very low	133 Å²	133	143.2 Å²	143.2	82%	0.816	80%	0.802	S	S	*	*			trans	-65.7	134.7	146.4	23.2	0	0	0	0	108.6
538	L	26.8	Very low	28.5	Very low	128 Å²	128	142.3 Å²	142.3	67%	0.67	81%	0.808	S	S	*	*			trans	-135.7	91.2	170.2	-77	178.4	0	0	0	111.1
539	Y	27.4	Very low	28.6	Very low	221 Å²	221	141.8 Å²	141.8	87%	0.867	82%	0.816	S	S	*	*			trans	-68	130.4	143.3	-108.4	-95.6	0	0	0	107.8
540	L	28.1	Very low	28.4	Very low	155 Å²	155	137 Å²	137	81%	0.812	82%	0.816	S	S	*	*			trans	-145.9	117.7	158.5	-80.5	-175.9	0	0	0	111
541	T	25.2	Very low	28.6	Very low	129 Å²	129	130.9 Å²	130.9	79%	0.791	81%	0.809	S	S	*	*			trans	-95.3	169.1	160.2	41.5	0	0	0	0	110.3
542	S	33.7	Very low	28.6	Very low	114 Å²	114	131.8 Å²	131.8	80%	0.797	81%	0.809	S	S	*	*			trans	-72	156.4	-171.9	-43.2	0	0	0	0	114.6
543	P	34.7	Very low	28.8	Very low	123 Å²	123	132.2 Å²	132.2	80%	0.799	81%	0.813	S	S	*	*			trans	-113.4	171.3	148.5	36.9	-29.1	0	0	0	112.5
544	S	29.1	Very low	30.2	Very low	111 Å²	111	128.9 Å²	128.9	78%	0.776	81%	0.806	S	S	*	*			trans	-140.1	-166.7	176.6	-70.3	0	0	0	0	109.6
545	E	30	Very low	30	Very low	197 Å²	197	132.8 Å²	132.8	92%	0.921	81%	0.811	S	S	*	*			trans	77.3	155	175.4	-42.2	-164.7	138.6	0	0	115.3
546	S	31.6	Very low	30.4	Very low	95 Å²	95	131.3 Å²	131.3	66%	0.664	80%	0.801	S	S	*	*			cis	-144.8	148.7	9.8	70.7	0	0	0	0	115
547	L	29.8	Very low	30.4	Very low	178 Å²	178	131.9 Å²	131.9	93%	0.932	80%	0.8	S	S	*	*			trans	58.4	136	131.4	-69.5	169	0	0	0	124.3
548	G	24.9	Very low	30.5	Very low	81 Å²	81	130.4 Å²	130.4	84%	0.835	80%	0.795	S	S	*	*			trans	160.5	108.9	165.4	0	0	0	0	0	111.6
549	A	28.1	Very low	30.5	Very low	115 Å²	115	129.7 Å²	129.7	95%	0.95	80%	0.799	S	S	*	*			trans	-106.6	152.7	-169.3	0	0	0	0	0	114.5
550	G	26.2	Very low	30.5	Very low	81 Å²	81	124 Å²	124	84%	0.835	79%	0.787	S	S	*	*			trans	-174.2	142.2	173.9	0	0	0	0	0	111.5
551	S	29.6	Very low	30.6	Very low	107 Å²	107	124.9 Å²	124.9	75%	0.748	79%	0.785	S	S	*	*			trans	-96.1	176.1	-161.6	61.1	0	0	0	0	116.6
552	D	28.6	Very low	30.8	Very low	158 Å²	158	126.3 Å²	126.3	85%	0.845	79%	0.787	S	S	*	*			trans	92.5	154	152.7	-71.9	-63.8	0	0	0	121.3
553	G	29.7	Very low	30.6	Very low	67 Å²	67	125.2 Å²	125.2	69%	0.691	78%	0.779	S	S	*	*			trans	-98.2	-170.1	-154.7	0	0	0	0	0	117
554	P	57.5	Low	30.4	Very low	124 Å²	124	123.6 Å²	123.6	81%	0.805	78%	0.776	S	S	*	*			trans	-84.6	149.8	-156.9	32.5	-37.2	0	0	0	115
555	K	29.4	Very low	30.3	Very low	201 Å²	201	126.5 Å²	126.5	87%	0.874	78%	0.782	S	S	*	*			trans	-155.3	156.8	151.7	-105.6	134.6	-172	171.5	0	112.1
556	S	33.1	Very low	30.3	Very low	86 Å²	86	121.3 Å²	121.3	60%	0.601	77%	0.767	S	S	*	*			trans	-68	166.3	169.3	43.4	0	0	0	0	111.9
557	H	28.9	Very low	30.3	Very low	166 Å²	166	124.4 Å²	124.4	77%	0.769	77%	0.772	S	S	*	*				172.4	140.9	111.3	-81.3	-59.5	0	0	0	112.6
558	S	28.7	Very low	30.3	Very low	102 Å²	102	123 Å²	123	71%	0.713	77%	0.77	S	S	*	*			trans	22.9	135.3	151.7	60	0	0	0	0	123.2
559	C	27	Very low	30.5	Very low	112 Å²	112	123.7 Å²	123.7	76%	0.757	76%	0.762	S	S	*	*				35.9	143.1	120.5	-118.9	0	0	0	0	119.8
560	T	27.6	Very low	31	Very low	101 Å²	101	124.3 Å²	124.3	62%	0.62	76%	0.756	S	S	*	*				-176.7	160.8	54.9	-28.4	0	0	0	0	111.8
561	K	28.9	Very low	31.2	Very low	175 Å²	175	129 Å²	129	76%	0.761	76%	0.761	S	S	*	*			trans	69.3	156.9	161	-71.1	146.6	-175	170.6	0	115.2
562	L	29.5	Very low	31.4	Very low	159 Å²	159	131.4 Å²	131.4	83%	0.832	77%	0.765	S	S	*	*			cis	-116.8	150.1	10.5	-61.5	154.6	0	0	0	109.5
563	S	30.7	Very low	31.6	Very low	91 Å²	91	132.3 Å²	132.3	64%	0.636	77%	0.766	S	S	*	*			cis	70	135	28.9	79	0	0	0	0	116.6
564	A	29.8	Very low	31.8	Very low	89 Å²	89	136.1 Å²	136.1	74%	0.736	77%	0.771	S	S	*	*			cis	-172	145.9	-19.1	0	0	0	0	0	109.5
565	L	27.3	Very low	31	Very low	172 Å²	172	138.4 Å²	138.4	90%	0.901	77%	0.774	S	S	*	*			trans	-141.3	120.1	160.4	-79	172.8	0	0	0	106.7
566	S	29.2	Very low	31.4	Very low	87 Å²	87	135.6 Å²	135.6	61%	0.608	76%	0.764	S	S	*	*			cis	72.3	113.2	20.4	-135.8	0	0	0	0	111.8
567	Q	32.6	Very low	31.7	Very low	161 Å²	161	139.7 Å²	139.7	75%	0.752	77%	0.771	S	S	*	*			cis	-151.2	153.3	5.3	-57.3	173.4	12	0	0	111.9
568	V	28.9	Very low	31.8	Very low	149 Å²	149	135.4 Å²	135.4	90%	0.903	77%	0.772	S	S	*	*			trans	-143.7	135.3	138.6	-176.4	0	0	0	0	107.4
569	S	30	Very low	32.1	Very low	94 Å²	94	142.1 Å²	142.1	66%	0.657	78%	0.781	S	S	*	*			trans	-99.9	146.5	-177.2	-58.9	0	0	0	0	113
570	P	38.6	Very low	32.7	Very low	128 Å²	128	147.3 Å²	147.3	83%	0.831	79%	0.787	S	S	*	*			trans	-80	143.1	172.1	33.1	-33.7	0	0	0	111.5
571	L	30.1	Very low	33.5	Very low	181 Å²	181	152.6 Å²	152.6	95%	0.948	80%	0.801	S	S	*	*			trans	-110.8	120.2	167.3	-86.5	171.1	0	0	0	110
572	L	34.3	Very low	34	Very low	156 Å²	156	147 Å²	147	82%	0.817	79%	0.788	S	S	*	*			trans	-99.4	123.6	172.9	-118.9	170.5	0	0	0	109
573	M	31.8	Very low	34.8	Very low	178 Å²	178	145.8 Å²	145.8	88%	0.877	78%	0.781	S	S	*	*			trans	-133.8	124.9	167.3	-103.2	-68.1	178.6	0	0	108.7
574	N	34.1	Very low	35.3	Very low	147 Å²	147	149.4 Å²	149.4	79%	0.786	79%	0.788	S	S	*	*			trans	-78.8	131.6	-174.5	-62.1	-49.9	0	0	0	110.9
575	I	40.5	Very low	35.9	Very low	172 Å²	172	149.8 Å²	149.8	88%	0.882	78%	0.782	S	S	*	*			trans	-122.3	131.3	158.3	-63.3	-177.3	0	0	0	107.9
576	E	38.3	Very low	37	Very low	141 Å²	141	148 Å²	148	66%	0.659	77%	0.769	S	S	*	*			trans	-90.6	161.7	-168.3	-140.2	-164.2	149	0	0	112.7
577	K	38	Very low	37.8	Very low	172 Å²	172	149.5 Å²	149.5	75%	0.748	77%	0.766	S	S	*	*			trans	67.1	85.3	160.7	-66.2	153.9	177	137.3	0	117.1
578	G	32.6	Very low	38.7	Very low	76 Å²	76	147.6 Å²	147.6	78%	0.784	76%	0.76	S	S	*	*			trans	-114.9	-2.7	-177.3	0	0	0	0	0	119.6
579	R	33.9	Very low	39.9	Very low	243 Å²	243	144.4 Å²	144.4	92%	0.917	74%	0.741	S	S	*	*			trans	68.3	132.8	179.1	-51.2	176.8	-175.2	171.1	2.1	117.1	K581	R579-K581 PolarHBondContact O-N 3.46Å
580	Y	39.5	Very low	41.4	Very low	222 Å²	222	142.4 Å²	142.4	87%	0.871	73%	0.731	S	S	*	*	S	Bend	trans	-57.6	111	177	-56.1	-93.6	0	0	0	113.4
581	K	44.1	Very low	42.6	Very low	211 Å²	211	142.2 Å²	142.2	92%	0.917	72%	0.717	S	S	*	*			trans	-163	9.2	159.1	-117	169	-173.3	-174.1	0	117.4	R579	R579-K581 PolarHBondContact O-N 3.46Å
582	A	40.6	Very low	44.1	Very low	59 Å²	59	139.3 Å²	139.3	49%	0.488	70%	0.698	S	S	.	*			trans	-102.8	-15.7	-175.5	0	0	0	0	0	115.8	Q584 T585	A582-Q584 VanDerWaalsContact C-N 3.31Å; A582-Q584 PolarHBondContact O-N 2.82Å; A582-T585 PolarHBondContact O-N 2.98Å; A582-T585 PolarHBondContact O-OG1 2.89Å
583	L	46.2	Very low	45.8	Very low	132 Å²	132	134 Å²	134	69%	0.691	68%	0.677	S	S	*	*	H	α-helix	trans	-70.4	-15.9	-169.7	-92.8	108	0	0	0	116.1
584	Q	41	Very low	47.7	Very low	168 Å²	168	130.7 Å²	130.7	79%	0.785	66%	0.663	S	S	*	*	H	α-helix	trans	-87.9	-12.4	177.8	-74.4	-172.4	-30.6	0	0	113.8	A582 L588	A582-Q584 VanDerWaalsContact C-N 3.31Å; A582-Q584 PolarHBondContact O-N 2.82Å; Q584-L588 WeakPolarHBondContact O-CD1 3.07Å
585	T	43	Very low	49.7	Very low	97 Å²	97	128.7 Å²	128.7	60%	0.595	65%	0.651	S	S	*	*	H	α-helix	trans	-85.4	-36	175.4	33.2	0	0	0	0	112.7	A582 T589	A582-T585 PolarHBondContact O-N 2.98Å; A582-T585 PolarHBondContact O-OG1 2.89Å; T585-T589 PolarHBondContact O-N 2.86Å; T585-T589 PolarHBondContact O-OG1 2.88Å
586	E	49.9	Very low	51.4	Low	135 Å²	135	125.3 Å²	125.3	63%	0.631	63%	0.634	S	S	*	*	H	α-helix	trans	-72.6	-39.9	-178.8	-68.7	177.1	124.7	0	0	112.8	L588 T589 A590	E586-L588 VanDerWaalsContact C-N 3.31Å; E586-L588 PolarHBondContact O-N 3.22Å; E586-T589 WeakPolarHBondContact CA-OG1 3.48Å; E586-T589 PolarHBondContact O-N 3.45Å; E586-T589 PolarHBondContact O-OG1 3.09Å; E586-A590 PolarHBondContact O-N 3.47Å; E586-A590 VanDerWaalsContact O-N 3.07Å
587	E	45	Very low	53.2	Low	118 Å²	118	123.4 Å²	123.4	55%	0.551	63%	0.628	S	S	*	*	H	α-helix	trans	-67.8	-30.1	-179	-156.7	-162.2	131.4	0	0	112.9	K591	E587-K591 IonicContact OE1-NZ 2.9Å; E587-K591 PolarHBondContact OE1-NZ 2.88Å
588	L	51.6	Low	55	Low	120 Å²	120	121.1 Å²	121.1	63%	0.628	62%	0.62	S	S	*	*	H	α-helix	trans	-71.4	-46.2	172.9	-72.1	174.1	0	0	0	111	Q584 E586 A590 K591 E592	Q584-L588 WeakPolarHBondContact O-CD1 3.07Å; E586-L588 VanDerWaalsContact C-N 3.31Å; E586-L588 PolarHBondContact O-N 3.22Å; L588-A590 VanDerWaalsContact C-N 3.28Å; L588-A590 PolarHBondContact O-N 3.39Å; L588-K591 PolarHBondContact O-N 3.28Å; L588-E592 WeakPolarHBondContact O-CB 3.42Å; L588-E592 PolarHBondContact O-N 3.36Å
589	T	55.7	Low	57	Low	82 Å²	82	121.2 Å²	121.2	50%	0.503	61%	0.606	S	S	.	*	H	α-helix	trans	-64.1	-29.2	179.4	48.5	0	0	0	0	113.7	T585 E586 A593	T585-T589 PolarHBondContact O-N 2.86Å; T585-T589 PolarHBondContact O-OG1 2.88Å; E586-T589 WeakPolarHBondContact CA-OG1 3.48Å; E586-T589 PolarHBondContact O-N 3.45Å; E586-T589 PolarHBondContact O-OG1 3.09Å; T589-A593 WeakPolarHBondContact O-CB 3.45Å; T589-A593 PolarHBondContact O-N 3.36Å
590	A	61.3	Low	59.1	Low	53 Å²	53	113.5 Å²	113.5	44%	0.438	58%	0.58	S	S	.	*	H	α-helix	trans	-66.1	-47.9	173.6	0	0	0	0	0	111.7	E586 L588 E592 A593 D594	E586-A590 PolarHBondContact O-N 3.47Å; E586-A590 VanDerWaalsContact O-N 3.07Å; L588-A590 VanDerWaalsContact C-N 3.28Å; L588-A590 PolarHBondContact O-N 3.39Å; A590-E592 VanDerWaalsContact C-N 3.31Å; A590-E592 PolarHBondContact O-N 2.91Å; A590-A593 WeakPolarHBondContact O-CB 3.06Å; A590-A593 PolarHBondContact O-N 3.22Å; A590-D594 PolarHBondContact O-N 3.48Å
591	K	63.5	Low	61.1	Low	123 Å²	123	107.8 Å²	107.8	54%	0.535	56%	0.561	S	S	.	*	H	α-helix	trans	-67.5	-31.9	178.7	-70.3	166.7	176.9	170.9	0	112.6	E587 L588 L595	E587-K591 IonicContact OE1-NZ 2.9Å; E587-K591 PolarHBondContact OE1-NZ 2.88Å; L588-K591 PolarHBondContact O-N 3.28Å; K591-L595 WeakPolarHBondContact O-CB 3.3Å; K591-L595 PolarHBondContact O-N 3.12Å
592	E	62	Low	62.9	Low	121 Å²	121	101.2 Å²	101.2	57%	0.565	54%	0.536	S	S	*	.	H	α-helix	trans	-69	-40.4	172.3	-169.1	167.2	-154.2	0	0	111.4	L588 A590 L595 I596	L588-E592 WeakPolarHBondContact O-CB 3.42Å; L588-E592 PolarHBondContact O-N 3.36Å; A590-E592 VanDerWaalsContact C-N 3.31Å; A590-E592 PolarHBondContact O-N 2.91Å; E592-L595 PolarHBondContact O-N 2.62Å; E592-I596 HydrophobicContact CG-CD1 4.25Å; E592-I596 WeakPolarHBondContact O-CD1 3.36Å; E592-I596 VanDerWaalsContact O-CG1 3.26Å; E592-I596 WeakPolarHBondContact O-CG1 3.22Å; E592-I596 PolarHBondContact O-N 2.89Å
593	A	69	Low	65	Low	44 Å²	44	105.3 Å²	105.3	36%	0.364	54%	0.543	S	S	.	.	H	α-helix	trans	-65.1	-42.6	174.1	0	0	0	0	0	112.9	T589 A590 L595 I596 L597	T589-A593 WeakPolarHBondContact O-CB 3.45Å; T589-A593 PolarHBondContact O-N 3.36Å; A590-A593 WeakPolarHBondContact O-CB 3.06Å; A590-A593 PolarHBondContact O-N 3.22Å; A593-L595 VanDerWaalsContact C-N 3.33Å; A593-L595 PolarHBondContact O-N 3.27Å; A593-I596 PolarHBondContact O-N 2.95Å; A593-L597 WeakPolarHBondContact O-CG 3.21Å; A593-L597 PolarHBondContact O-N 3.22Å
594	D	72.9	Confident	66.8	Low	108 Å²	108	105 Å²	105	58%	0.578	53%	0.533	S	S	*	.	H	α-helix	trans	-60.1	-42.2	175.5	-71.8	-27.9	0	0	0	111.6	A590 L597 E598	A590-D594 PolarHBondContact O-N 3.48Å; D594-L597 PolarHBondContact O-N 3.21Å; D594-E598 PolarHBondContact O-N 3.08Å
595	L	75.8	Confident	69	Low	105 Å²	105	103.6 Å²	103.6	55%	0.55	52%	0.52	S	S	.	.	H	α-helix	trans	-67	-36.2	176.5	-176.4	64	0	0	0	112.5	K591 E592 A593 T599	K591-L595 WeakPolarHBondContact O-CB 3.3Å; K591-L595 PolarHBondContact O-N 3.12Å; E592-L595 PolarHBondContact O-N 2.62Å; A593-L595 VanDerWaalsContact C-N 3.33Å; A593-L595 PolarHBondContact O-N 3.27Å; L595-T599 WeakPolarHBondContact O-CB 3.46Å; L595-T599 WeakPolarHBondContact O-CG2 3.16Å; L595-T599 PolarHBondContact O-N 2.7Å; L595-T599 PolarHBondContact O-OG1 3.16Å
596	I	76.1	Confident	71.3	Confident	102 Å²	102	100.6 Å²	100.6	52%	0.523	51%	0.509	S	S	.	.	H	α-helix	trans	-65.8	-41.7	173.1	-70.9	164.2	0	0	0	110.5	E592 A593 T599 E600	E592-I596 HydrophobicContact CG-CD1 4.25Å; E592-I596 WeakPolarHBondContact O-CD1 3.36Å; E592-I596 VanDerWaalsContact O-CG1 3.26Å; E592-I596 WeakPolarHBondContact O-CG1 3.22Å; E592-I596 PolarHBondContact O-N 2.89Å; A593-I596 PolarHBondContact O-N 2.95Å; I596-T599 WeakPolarHBondContact CA-OG1 3.34Å; I596-T599 PolarHBondContact O-N 3.27Å; I596-T599 PolarHBondContact O-OG1 2.94Å; I596-T599 VanDerWaalsContact O-OG1 3.1Å; I596-E600 WeakPolarHBondContact O-CB 3.15Å; I596-E600 PolarHBondContact O-N 2.7Å
597	L	74.8	Confident	73.2	Confident	101 Å²	101	97 Å²	97	53%	0.529	50%	0.496	S	S	.	.	H	α-helix	trans	-66	-42.6	176.3	-71.5	170.6	0	0	0	112.3	A593 D594 E600 E601	A593-L597 WeakPolarHBondContact O-CG 3.21Å; A593-L597 PolarHBondContact O-N 3.22Å; D594-L597 PolarHBondContact O-N 3.21Å; L597-E600 PolarHBondContact O-N 2.74Å; L597-E601 WeakPolarHBondContact O-CB 3.45Å; L597-E601 PolarHBondContact O-N 3.04Å
598	E	76.4	Confident	75.4	Confident	123 Å²	123	95.1 Å²	95.1	58%	0.575	49%	0.489	S	S	*	.	H	α-helix	trans	-65	-40.9	176.5	-178.4	172.8	-157	0	0	111.9	D594 N602	D594-E598 PolarHBondContact O-N 3.08Å; E598-N602 WeakPolarHBondContact O-CB 3.48Å; E598-N602 VanDerWaalsContact O-CG 3.3Å; E598-N602 PolarHBondContact O-N 3.49Å; E598-N602 PolarHBondContact O-ND2 3.36Å
599	T	75.2	Confident	77.2	Confident	79 Å²	79	92.7 Å²	92.7	49%	0.485	48%	0.482	S	S	.	.	H	α-helix	trans	-70.1	-36.6	176.3	50.6	0	0	0	0	112.6	L595 I596 N602 F603	L595-T599 WeakPolarHBondContact O-CB 3.46Å; L595-T599 WeakPolarHBondContact O-CG2 3.16Å; L595-T599 PolarHBondContact O-N 2.7Å; L595-T599 PolarHBondContact O-OG1 3.16Å; I596-T599 WeakPolarHBondContact CA-OG1 3.34Å; I596-T599 PolarHBondContact O-N 3.27Å; I596-T599 PolarHBondContact O-OG1 2.94Å; I596-T599 VanDerWaalsContact O-OG1 3.1Å; T599-N602 PolarHBondContact O-N 2.9Å; T599-F603 WeakPolarHBondContact O-CB 3.26Å; T599-F603 PolarHBondContact O-N 2.77Å
600	E	77.8	Confident	79	Confident	80 Å²	80	92.8 Å²	92.8	37%	0.374	48%	0.482	S	S	.	.	H	α-helix	trans	-67.4	-42.3	172.7	-156	-155.6	161.2	0	0	111.8	I596 L597 N602 F603 R604	I596-E600 WeakPolarHBondContact O-CB 3.15Å; I596-E600 PolarHBondContact O-N 2.7Å; L597-E600 PolarHBondContact O-N 2.74Å; E600-N602 VanDerWaalsContact C-N 3.33Å; E600-N602 PolarHBondContact O-N 2.84Å; E600-F603 PolarHBondContact O-N 2.88Å; E600-R604 VanDerWaalsContact CD-CZ 3.43Å; E600-R604 VanDerWaalsContact CD-NE 3.32Å; E600-R604 WeakPolarHBondContact O-CB 2.91Å; E600-R604 VanDerWaalsContact O-CG 3.25Å; E600-R604 WeakPolarHBondContact O-CG 3.38Å; E600-R604 PolarHBondContact O-N 3.24Å; E600-R604 IonicContact OE1-CZ 2.7Å; E600-R604 IonicContact OE1-NE 3.21Å; E600-R604 PolarHBondContact OE1-NE 3.44Å; E600-R604 IonicContact OE1-NH2 3.7Å; E600-R604 PolarHBondContact OE1-NH2 2.98Å; E600-R604 IonicContact OE2-CZ 3.8Å; E600-R604 IonicContact OE2-NE 3.91Å; E600-R604 IonicContact OE2-NH2 2.89Å; E600-R604 PolarHBondContact OE2-NH2 3.32Å
601	E	80.4	Confident	80.4	Confident	103 Å²	103	94.6 Å²	94.6	48%	0.481	48%	0.484	S	S	.	.	H	α-helix	trans	-58.3	-45.2	173.2	-93.1	-140.8	-175.2	0	0	111.8	L597 R604 R605	L597-E601 WeakPolarHBondContact O-CB 3.45Å; L597-E601 PolarHBondContact O-N 3.04Å; E601-R604 PolarHBondContact O-N 2.85Å; E601-R605 VanDerWaalsContact O-CB 3.29Å; E601-R605 WeakPolarHBondContact O-CB 3.34Å; E601-R605 PolarHBondContact O-N 3.3Å; E601-R605 IonicContact OE2-CZ 2.86Å; E601-R605 IonicContact OE2-NH1 2.6Å; E601-R605 IonicContact OE2-NH2 3.76Å; E601-R605 PolarHBondContact OE2-NH2 2.68Å
602	N	82.3	Confident	81.7	Confident	73 Å²	73	96.8 Å²	96.8	39%	0.39	49%	0.488	S	S	.	.	H	α-helix	trans	-69.4	-32.7	179.3	-72.9	-37.6	0	0	0	112.3	E598 T599 E600 R605 G606	E598-N602 WeakPolarHBondContact O-CB 3.48Å; E598-N602 VanDerWaalsContact O-CG 3.3Å; E598-N602 PolarHBondContact O-N 3.49Å; E598-N602 PolarHBondContact O-ND2 3.36Å; T599-N602 PolarHBondContact O-N 2.9Å; E600-N602 VanDerWaalsContact C-N 3.33Å; E600-N602 PolarHBondContact O-N 2.84Å; N602-R605 WeakPolarHBondContact O-CB 3.44Å; N602-R605 PolarHBondContact O-N 2.87Å; N602-R605 PolarHBondContact OD1-NE 3.35Å; N602-R605 PolarHBondContact OD1-NH2 2.99Å; N602-G606 PolarHBondContact O-N 2.81Å
603	F	84.3	Confident	83.2	Confident	145 Å²	145	95.3 Å²	95.3	64%	0.636	48%	0.482	S	S	*	.	H	α-helix	trans	-63.4	-49.6	168	179.1	-101.5	0	0	0	111.9	T599 E600 R605 G606 V607	T599-F603 WeakPolarHBondContact O-CB 3.26Å; T599-F603 PolarHBondContact O-N 2.77Å; E600-F603 PolarHBondContact O-N 2.88Å; F603-R605 VanDerWaalsContact C-N 3.29Å; F603-R605 PolarHBondContact O-N 2.99Å; F603-G606 WeakPolarHBondContact O-CA 3.43Å; F603-G606 PolarHBondContact O-N 2.9Å; F603-G606 VanDerWaalsContact O-N 3.1Å; F603-V607 HydrophobicContact CD1-CG2 4.23Å; F603-V607 HydrophobicContact CE1-CG2 3.79Å; F603-V607 HydrophobicContact CE2-CG2 4.15Å; F603-V607 HydrophobicContact CZ-CG2 3.75Å; F603-V607 WeakPolarHBondContact O-CG2 3.2Å; F603-V607 PolarHBondContact O-N 3.15Å
604	R	85.8	Confident	84.3	Confident	126 Å²	126	98.7 Å²	98.7	48%	0.475	49%	0.491	S	S	.	.	H	α-helix	trans	-56.4	-42.4	174.8	-69.4	166.6	179.8	-176.4	1.9	111.2	E600 E601 G606 V607 I608	E600-R604 VanDerWaalsContact CD-CZ 3.43Å; E600-R604 VanDerWaalsContact CD-NE 3.32Å; E600-R604 WeakPolarHBondContact O-CB 2.91Å; E600-R604 VanDerWaalsContact O-CG 3.25Å; E600-R604 WeakPolarHBondContact O-CG 3.38Å; E600-R604 PolarHBondContact O-N 3.24Å; E600-R604 IonicContact OE1-CZ 2.7Å; E600-R604 IonicContact OE1-NE 3.21Å; E600-R604 PolarHBondContact OE1-NE 3.44Å; E600-R604 IonicContact OE1-NH2 3.7Å; E600-R604 PolarHBondContact OE1-NH2 2.98Å; E600-R604 IonicContact OE2-CZ 3.8Å; E600-R604 IonicContact OE2-NE 3.91Å; E600-R604 IonicContact OE2-NH2 2.89Å; E600-R604 PolarHBondContact OE2-NH2 3.32Å; E601-R604 PolarHBondContact O-N 2.85Å; R604-G606 PolarHBondContact O-N 3.46Å; R604-V607 PolarHBondContact O-N 3.16Å; R604-I608 WeakPolarHBondContact O-CB 3.45Å; R604-I608 WeakPolarHBondContact O-CD1 3.24Å; R604-I608 VanDerWaalsContact O-CG1 3.23Å; R604-I608 WeakPolarHBondContact O-CG1 3.49Å; R604-I608 PolarHBondContact O-N 3.09Å
605	R	86.6	Confident	85.2	Confident	137 Å²	137	98.9 Å²	98.9	52%	0.517	49%	0.489	S	S	.	.	H	α-helix	trans	-60.8	-42.5	176	-151.6	-176.2	-46.4	-72.6	-3.7	111.4	E601 N602 F603 S609	E601-R605 VanDerWaalsContact O-CB 3.29Å; E601-R605 WeakPolarHBondContact O-CB 3.34Å; E601-R605 PolarHBondContact O-N 3.3Å; E601-R605 IonicContact OE2-CZ 2.86Å; E601-R605 IonicContact OE2-NH1 2.6Å; E601-R605 IonicContact OE2-NH2 3.76Å; E601-R605 PolarHBondContact OE2-NH2 2.68Å; N602-R605 WeakPolarHBondContact O-CB 3.44Å; N602-R605 PolarHBondContact O-N 2.87Å; N602-R605 PolarHBondContact OD1-NE 3.35Å; N602-R605 PolarHBondContact OD1-NH2 2.99Å; F603-R605 VanDerWaalsContact C-N 3.29Å; F603-R605 PolarHBondContact O-N 2.99Å; R605-S609 PolarHBondContact O-N 2.9Å
606	G	90.7	Very high	86	Confident	35 Å²	35	100.5 Å²	100.5	36%	0.361	49%	0.488	S	S	.	.	H	α-helix	trans	-63.6	-50.3	173.8	0	0	0	0	0	113.1	N602 F603 R604 I608 S609 V610	N602-G606 PolarHBondContact O-N 2.81Å; F603-G606 WeakPolarHBondContact O-CA 3.43Å; F603-G606 PolarHBondContact O-N 2.9Å; F603-G606 VanDerWaalsContact O-N 3.1Å; R604-G606 PolarHBondContact O-N 3.46Å; G606-I608 PolarHBondContact O-N 3.21Å; G606-S609 WeakPolarHBondContact O-CA 2.95Å; G606-S609 VanDerWaalsContact O-CB 3.27Å; G606-S609 WeakPolarHBondContact O-CB 3.46Å; G606-S609 PolarHBondContact O-N 3.14Å; G606-V610 PolarHBondContact O-N 3.04Å
607	V	90.4	Very high	86.8	Confident	60 Å²	60	99.6 Å²	99.6	36%	0.364	48%	0.481	S	S	.	.	H	α-helix	trans	-59	-44.8	177.4	172.3	0	0	0	0	111.3	F603 R604 S609 V610 I611	F603-V607 HydrophobicContact CD1-CG2 4.23Å; F603-V607 HydrophobicContact CE1-CG2 3.79Å; F603-V607 HydrophobicContact CE2-CG2 4.15Å; F603-V607 HydrophobicContact CZ-CG2 3.75Å; F603-V607 WeakPolarHBondContact O-CG2 3.2Å; F603-V607 PolarHBondContact O-N 3.15Å; R604-V607 PolarHBondContact O-N 3.16Å; V607-S609 VanDerWaalsContact C-N 3.28Å; V607-S609 PolarHBondContact O-N 3.13Å; V607-V610 PolarHBondContact O-N 3.12Å; V607-I611 HydrophobicContact CG1-CD1 3.78Å; V607-I611 HydrophobicContact CG1-CG1 4.43Å; V607-I611 WeakPolarHBondContact O-CG1 3.49Å; V607-I611 PolarHBondContact O-N 3.02Å
608	I	91	Very high	87.6	Confident	78 Å²	78	98.9 Å²	98.9	40%	0.4	48%	0.481	S	S	.	.	H	α-helix	trans	-62.1	-35.5	175.4	-70.3	165.4	0	0	0	111.5	R604 G606 R612	R604-I608 WeakPolarHBondContact O-CB 3.45Å; R604-I608 WeakPolarHBondContact O-CD1 3.24Å; R604-I608 VanDerWaalsContact O-CG1 3.23Å; R604-I608 WeakPolarHBondContact O-CG1 3.49Å; R604-I608 PolarHBondContact O-N 3.09Å; G606-I608 PolarHBondContact O-N 3.21Å; I608-R612 HydrophobicContact CG2-CG 4.47Å; I608-R612 WeakPolarHBondContact O-CB 3.41Å; I608-R612 WeakPolarHBondContact O-CD 3.45Å; I608-R612 WeakPolarHBondContact O-CG 3.34Å; I608-R612 PolarHBondContact O-N 2.85Å
609	S	90.1	Very high	88.4	Confident	69 Å²	69	96.3 Å²	96.3	48%	0.483	47%	0.471	S	S	.	.	H	α-helix	trans	-64.5	-45.3	175.2	-165	0	0	0	0	112.1	R605 G606 V607 R612 Q613	R605-S609 PolarHBondContact O-N 2.9Å; G606-S609 WeakPolarHBondContact O-CA 2.95Å; G606-S609 VanDerWaalsContact O-CB 3.27Å; G606-S609 WeakPolarHBondContact O-CB 3.46Å; G606-S609 PolarHBondContact O-N 3.14Å; V607-S609 VanDerWaalsContact C-N 3.28Å; V607-S609 PolarHBondContact O-N 3.13Å; S609-R612 PolarHBondContact O-N 2.99Å; S609-Q613 PolarHBondContact O-N 3.48Å
610	V	92	Very high	89.2	Confident	84 Å²	84	98.9 Å²	98.9	51%	0.509	48%	0.475	S	S	.	.	H	α-helix	trans	-65.1	-45.6	177.3	176.7	0	0	0	0	111.2	G606 V607 R612 Q613 M614	G606-V610 PolarHBondContact O-N 3.04Å; V607-V610 PolarHBondContact O-N 3.12Å; V610-R612 VanDerWaalsContact C-N 3.31Å; V610-R612 PolarHBondContact O-N 2.67Å; V610-Q613 WeakPolarHBondContact O-CA 3.25Å; V610-Q613 WeakPolarHBondContact O-CB 3.24Å; V610-Q613 PolarHBondContact O-N 2.75Å; V610-M614 HydrophobicContact CG1-CG 4.47Å; V610-M614 HydrophobicContact CG1-SD 4.26Å; V610-M614 WeakPolarHBondContact O-CG 3.07Å; V610-M614 PolarHBondContact O-N 3.46Å
611	I	91.2	Very high	90	Very high	91 Å²	91	100.5 Å²	100.5	47%	0.467	49%	0.485	S	S	.	.	H	α-helix	trans	-58.6	-44.8	175.4	-67.8	168.4	0	0	0	110.4	V607 Q613 M614 Q615	V607-I611 HydrophobicContact CG1-CD1 3.78Å; V607-I611 HydrophobicContact CG1-CG1 4.43Å; V607-I611 WeakPolarHBondContact O-CG1 3.49Å; V607-I611 PolarHBondContact O-N 3.02Å; I611-Q613 PolarHBondContact O-N 3.24Å; I611-M614 PolarHBondContact O-N 3.29Å; I611-Q615 WeakPolarHBondContact O-CB 3.22Å; I611-Q615 PolarHBondContact O-N 2.7Å
612	R	91.8	Very high	90.6	Very high	168 Å²	168	101.7 Å²	101.7	63%	0.634	49%	0.489	S	S	*	.	H	α-helix	trans	-64.4	-22.3	174	-74.3	171	178.2	170.4	0.3	113.5	I608 S609 V610 R616	I608-R612 HydrophobicContact CG2-CG 4.47Å; I608-R612 WeakPolarHBondContact O-CB 3.41Å; I608-R612 WeakPolarHBondContact O-CD 3.45Å; I608-R612 WeakPolarHBondContact O-CG 3.34Å; I608-R612 PolarHBondContact O-N 2.85Å; S609-R612 PolarHBondContact O-N 2.99Å; V610-R612 VanDerWaalsContact C-N 3.31Å; V610-R612 PolarHBondContact O-N 2.67Å; R612-R616 WeakPolarHBondContact O-CG 3.45Å; R612-R616 PolarHBondContact O-NE 3.02Å
613	Q	92.4	Very high	91.1	Very high	91 Å²	91	103.4 Å²	103.4	43%	0.425	50%	0.498	S	S	.	.	H	α-helix	trans	-76.9	-50.6	171.1	-179.6	167.8	-19.8	0	0	111.4	S609 V610 I611 Q615 R616 E617	S609-Q613 PolarHBondContact O-N 3.48Å; V610-Q613 WeakPolarHBondContact O-CA 3.25Å; V610-Q613 WeakPolarHBondContact O-CB 3.24Å; V610-Q613 PolarHBondContact O-N 2.75Å; I611-Q613 PolarHBondContact O-N 3.24Å; Q613-Q615 PolarHBondContact O-N 2.62Å; Q613-R616 WeakPolarHBondContact O-CB 3.3Å; Q613-R616 PolarHBondContact O-N 2.85Å; Q613-E617 WeakPolarHBondContact CG-OE1 3.09Å; Q613-E617 PolarHBondContact NE2-OE1 3.29Å; Q613-E617 PolarHBondContact O-N 3.2Å
614	M	92.4	Very high	91.5	Very high	115 Å²	115	101 Å²	101	57%	0.567	49%	0.491	S	S	*	.	H	α-helix	trans	-57.3	-39.7	176.7	-63.5	179.4	76.7	0	0	111.4	V610 I611 R616 E617 V618	V610-M614 HydrophobicContact CG1-CG 4.47Å; V610-M614 HydrophobicContact CG1-SD 4.26Å; V610-M614 WeakPolarHBondContact O-CG 3.07Å; V610-M614 PolarHBondContact O-N 3.46Å; I611-M614 PolarHBondContact O-N 3.29Å; M614-R616 PolarHBondContact O-N 3.06Å; M614-E617 PolarHBondContact O-N 3.1Å; M614-V618 WeakPolarHBondContact O-CB 3.38Å; M614-V618 WeakPolarHBondContact O-CG2 3.45Å; M614-V618 PolarHBondContact O-N 2.67Å
615	Q	92.6	Very high	91.7	Very high	111 Å²	111	102.6 Å²	102.6	52%	0.519	50%	0.498	S	S	.	.	H	α-helix	trans	-57	-50.3	173.6	-156.4	78	37.6	0	0	111.8	I611 Q613 E617 V618 D619	I611-Q615 WeakPolarHBondContact O-CB 3.22Å; I611-Q615 PolarHBondContact O-N 2.7Å; Q613-Q615 PolarHBondContact O-N 2.62Å; Q615-E617 VanDerWaalsContact C-N 3.26Å; Q615-E617 PolarHBondContact O-N 3.09Å; Q615-V618 PolarHBondContact O-N 3.08Å; Q615-D619 PolarHBondContact O-N 3.44Å
616	R	92.4	Very high	92	Very high	140 Å²	140	99.3 Å²	99.3	53%	0.528	49%	0.493	S	S	.	.	H	α-helix	trans	-64.4	-27.9	177.9	-74.8	175.8	-72.1	141.4	-3.5	113.3	R612 Q613 M614 K620	R612-R616 WeakPolarHBondContact O-CG 3.45Å; R612-R616 PolarHBondContact O-NE 3.02Å; Q613-R616 WeakPolarHBondContact O-CB 3.3Å; Q613-R616 PolarHBondContact O-N 2.85Å; M614-R616 PolarHBondContact O-N 3.06Å; R616-K620 WeakPolarHBondContact O-CD 3.44Å; R616-K620 VanDerWaalsContact O-CG 3.24Å; R616-K620 WeakPolarHBondContact O-CG 3.4Å; R616-K620 PolarHBondContact O-N 3.36Å
617	E	92.5	Very high	92	Very high	83 Å²	83	100 Å²	100	39%	0.388	49%	0.493	S	S	.	.	H	α-helix	trans	-79.3	-40.6	176.7	-73.2	165.8	-171.2	0	0	111	Q613 M614 Q615 K620 I621	Q613-E617 WeakPolarHBondContact CG-OE1 3.09Å; Q613-E617 PolarHBondContact NE2-OE1 3.29Å; Q613-E617 PolarHBondContact O-N 3.2Å; M614-E617 PolarHBondContact O-N 3.1Å; Q615-E617 VanDerWaalsContact C-N 3.26Å; Q615-E617 PolarHBondContact O-N 3.09Å; E617-K620 PolarHBondContact O-N 3.02Å; E617-I621 VanDerWaalsContact O-CG1 3.3Å; E617-I621 WeakPolarHBondContact O-CG1 3.49Å; E617-I621 PolarHBondContact O-N 2.85Å
618	V	92.4	Very high	92.1	Very high	85 Å²	85	100.7 Å²	100.7	52%	0.515	49%	0.494	S	S	.	.	H	α-helix	trans	-61.4	-44.1	170.4	169.6	0	0	0	0	111.5	M614 Q615 K620 I621 K622	M614-V618 WeakPolarHBondContact O-CB 3.38Å; M614-V618 WeakPolarHBondContact O-CG2 3.45Å; M614-V618 PolarHBondContact O-N 2.67Å; Q615-V618 PolarHBondContact O-N 3.08Å; V618-K620 VanDerWaalsContact C-N 3.33Å; V618-K620 PolarHBondContact O-N 3.04Å; V618-I621 PolarHBondContact O-N 3.03Å; V618-K622 VanDerWaalsContact O-CB 3.3Å; V618-K622 WeakPolarHBondContact O-CB 3.42Å; V618-K622 PolarHBondContact O-N 3Å
619	D	92.6	Very high	92.2	Very high	69 Å²	69	99.9 Å²	99.9	37%	0.369	49%	0.493	S	S	.	.	H	α-helix	trans	-64.1	-36	177.6	-71.2	-37.5	0	0	0	112.1	Q615 N623	Q615-D619 PolarHBondContact O-N 3.44Å; D619-N623 WeakPolarHBondContact O-CB 3.27Å; D619-N623 PolarHBondContact O-N 3.21Å; D619-N623 PolarHBondContact O-ND2 3.41Å
620	K	92.6	Very high	92.3	Very high	134 Å²	134	101.6 Å²	101.6	58%	0.583	50%	0.496	S	S	*	.	H	α-helix	trans	-64.1	-49.9	171.5	-75.8	168.5	-178.4	-178.1	0	111.9	R616 E617 V618 K622 N623 I624	R616-K620 WeakPolarHBondContact O-CD 3.44Å; R616-K620 VanDerWaalsContact O-CG 3.24Å; R616-K620 WeakPolarHBondContact O-CG 3.4Å; R616-K620 PolarHBondContact O-N 3.36Å; E617-K620 PolarHBondContact O-N 3.02Å; V618-K620 VanDerWaalsContact C-N 3.33Å; V618-K620 PolarHBondContact O-N 3.04Å; K620-K622 VanDerWaalsContact C-N 3.29Å; K620-K622 PolarHBondContact O-N 3.08Å; K620-N623 PolarHBondContact O-N 2.82Å; K620-I624 WeakPolarHBondContact O-CG1 3.47Å; K620-I624 PolarHBondContact O-N 3.37Å
621	I	93	Very high	92.4	Very high	114 Å²	114	101.7 Å²	101.7	59%	0.585	49%	0.494	S	S	*	.	H	α-helix	trans	-59.9	-42.9	179.5	-68.7	163.2	0	0	0	110.3	E617 V618 I624 Y625	E617-I621 VanDerWaalsContact O-CG1 3.3Å; E617-I621 WeakPolarHBondContact O-CG1 3.49Å; E617-I621 PolarHBondContact O-N 2.85Å; V618-I621 PolarHBondContact O-N 3.03Å; I621-I624 PolarHBondContact O-N 3.33Å; I621-Y625 WeakPolarHBondContact O-CB 3.47Å; I621-Y625 PolarHBondContact O-N 3.48Å
622	K	93.8	Very high	92.5	Very high	128 Å²	128	102.4 Å²	102.4	56%	0.557	50%	0.496	S	S	*	.	H	α-helix	trans	-59.5	-46.3	174.8	-179.2	-176.3	174.8	-173.1	0	111.9	V618 K620 Y625 V626	V618-K622 VanDerWaalsContact O-CB 3.3Å; V618-K622 WeakPolarHBondContact O-CB 3.42Å; V618-K622 PolarHBondContact O-N 3Å; K620-K622 VanDerWaalsContact C-N 3.29Å; K620-K622 PolarHBondContact O-N 3.08Å; K622-Y625 PolarHBondContact O-N 2.95Å; K622-V626 WeakPolarHBondContact O-CB 3.35Å; K622-V626 VanDerWaalsContact O-CG2 3.28Å; K622-V626 WeakPolarHBondContact O-CG2 3.45Å; K622-V626 PolarHBondContact O-N 3.05Å
623	N	91.6	Very high	92.6	Very high	108 Å²	108	99.8 Å²	99.8	58%	0.578	49%	0.489	S	S	*	.	H	α-helix	trans	-66.7	-38.6	-179.8	-71.3	-14	0	0	0	112.2	D619 K620 V626 S627	D619-N623 WeakPolarHBondContact O-CB 3.27Å; D619-N623 PolarHBondContact O-N 3.21Å; D619-N623 PolarHBondContact O-ND2 3.41Å; K620-N623 PolarHBondContact O-N 2.82Å; N623-V626 PolarHBondContact O-N 3.23Å; N623-S627 PolarHBondContact O-N 3.1Å; N623-S627 PolarHBondContact O-OG 2.83Å
624	I	92.9	Very high	92.7	Very high	96 Å²	96	98 Å²	98	49%	0.492	49%	0.487	S	S	.	.	H	α-helix	trans	-61.4	-51.1	173.3	-67	163.2	0	0	0	110.1	K620 I621 V626 S627 D628	K620-I624 WeakPolarHBondContact O-CG1 3.47Å; K620-I624 PolarHBondContact O-N 3.37Å; I621-I624 PolarHBondContact O-N 3.33Å; I624-V626 VanDerWaalsContact C-N 3.27Å; I624-V626 PolarHBondContact O-N 3.42Å; I624-S627 WeakPolarHBondContact CA-OG 3.42Å; I624-S627 PolarHBondContact O-N 3Å; I624-S627 VanDerWaalsContact O-N 3.08Å; I624-S627 PolarHBondContact O-OG 3.07Å; I624-D628 WeakPolarHBondContact CG2-OD2 3.45Å; I624-D628 PolarHBondContact O-N 2.98Å
625	Y	91.1	Very high	92.8	Very high	158 Å²	158	98.3 Å²	98.3	62%	0.62	49%	0.487	S	S	*	.	H	α-helix	trans	-60.3	-36.2	178.5	-174.3	-103.3	0	0	0	112.7	I621 K622 D628 V629	I621-Y625 WeakPolarHBondContact O-CB 3.47Å; I621-Y625 PolarHBondContact O-N 3.48Å; K622-Y625 PolarHBondContact O-N 2.95Å; Y625-D628 PolarHBondContact O-N 3.29Å; Y625-V629 HydrophobicContact CD1-CG2 4.23Å; Y625-V629 HydrophobicContact CE1-CG2 3.84Å; Y625-V629 HydrophobicContact CE2-CG2 4.2Å; Y625-V629 WeakPolarHBondContact O-CB 3.48Å; Y625-V629 VanDerWaalsContact O-CG2 3.25Å; Y625-V629 WeakPolarHBondContact O-CG2 3.4Å; Y625-V629 PolarHBondContact O-N 3.26Å
626	V	92.3	Very high	92.9	Very high	69 Å²	69	98.4 Å²	98.4	42%	0.418	49%	0.491	S	S	.	.	H	α-helix	trans	-68.1	-40.5	174.1	168.8	0	0	0	0	111.8	K622 N623 I624 L630	K622-V626 WeakPolarHBondContact O-CB 3.35Å; K622-V626 VanDerWaalsContact O-CG2 3.28Å; K622-V626 WeakPolarHBondContact O-CG2 3.45Å; K622-V626 PolarHBondContact O-N 3.05Å; N623-V626 PolarHBondContact O-N 3.23Å; I624-V626 VanDerWaalsContact C-N 3.27Å; I624-V626 PolarHBondContact O-N 3.42Å; V626-L630 HydrophobicContact CG1-CD1 4Å; V626-L630 WeakPolarHBondContact O-CB 3.47Å; V626-L630 VanDerWaalsContact O-CG 3.25Å; V626-L630 WeakPolarHBondContact O-CG 3.38Å; V626-L630 PolarHBondContact O-N 3.5Å
627	S	90.8	Very high	93	Very high	50 Å²	50	95.7 Å²	95.7	35%	0.35	49%	0.487	S	S	.	.	H	α-helix	trans	-65.9	-40.1	173.4	49.5	0	0	0	0	112.3	N623 I624 V629 L630 N631	N623-S627 PolarHBondContact O-N 3.1Å; N623-S627 PolarHBondContact O-OG 2.83Å; I624-S627 WeakPolarHBondContact CA-OG 3.42Å; I624-S627 PolarHBondContact O-N 3Å; I624-S627 VanDerWaalsContact O-N 3.08Å; I624-S627 PolarHBondContact O-OG 3.07Å; S627-V629 PolarHBondContact O-N 3.16Å; S627-L630 PolarHBondContact O-N 2.82Å; S627-N631 WeakPolarHBondContact O-CB 3.25Å; S627-N631 PolarHBondContact O-N 2.67Å; S627-N631 PolarHBondContact O-ND2 3.38Å; S627-N631 PolarHBondContact O-OD1 3.16Å
628	D	92.9	Very high	93.1	Very high	73 Å²	73	97.2 Å²	97.2	39%	0.39	50%	0.498	S	S	.	.	H	α-helix	trans	-64.6	-42.9	179.1	-60.9	-17.3	0	0	0	110.9	I624 Y625 N631 M632	I624-D628 WeakPolarHBondContact CG2-OD2 3.45Å; I624-D628 PolarHBondContact O-N 2.98Å; Y625-D628 PolarHBondContact O-N 3.29Å; D628-N631 PolarHBondContact O-N 3.48Å; D628-M632 WeakPolarHBondContact O-CB 3.36Å; D628-M632 WeakPolarHBondContact O-CG 3.41Å; D628-M632 PolarHBondContact O-N 2.97Å
629	V	92.9	Very high	93.2	Very high	62 Å²	62	98.4 Å²	98.4	38%	0.376	50%	0.5	S	S	.	.	H	α-helix	trans	-66.1	-35.2	175.3	169	0	0	0	0	112.4	Y625 S627 M632 K633	Y625-V629 HydrophobicContact CD1-CG2 4.23Å; Y625-V629 HydrophobicContact CE1-CG2 3.84Å; Y625-V629 HydrophobicContact CE2-CG2 4.2Å; Y625-V629 WeakPolarHBondContact O-CB 3.48Å; Y625-V629 VanDerWaalsContact O-CG2 3.25Å; Y625-V629 WeakPolarHBondContact O-CG2 3.4Å; Y625-V629 PolarHBondContact O-N 3.26Å; S627-V629 PolarHBondContact O-N 3.16Å; V629-M632 HydrophobicContact CB-CE 4.5Å; V629-M632 HydrophobicContact CG2-CE 3.98Å; V629-K633 PolarHBondContact O-N 3.34Å
630	L	92.9	Very high	93.4	Very high	105 Å²	105	99.9 Å²	99.9	55%	0.55	51%	0.508	S	S	.	.	H	α-helix	trans	-69.4	-42.2	174.1	-73.8	169.1	0	0	0	111.9	V626 S627 K633 S634	V626-L630 HydrophobicContact CG1-CD1 4Å; V626-L630 WeakPolarHBondContact O-CB 3.47Å; V626-L630 VanDerWaalsContact O-CG 3.25Å; V626-L630 WeakPolarHBondContact O-CG 3.38Å; V626-L630 PolarHBondContact O-N 3.5Å; S627-L630 PolarHBondContact O-N 2.82Å; L630-K633 WeakPolarHBondContact O-CB 3.38Å; L630-K633 PolarHBondContact O-N 2.91Å; L630-K633 VanDerWaalsContact O-N 3.15Å; L630-S634 PolarHBondContact O-N 3.5Å; L630-S634 PolarHBondContact O-OG 3.1Å
631	N	92.8	Very high	93.5	Very high	86 Å²	86	96.5 Å²	96.5	46%	0.46	50%	0.502	S	S	.	.	H	α-helix	trans	-62.5	-48.3	176.8	-66.7	-13.4	0	0	0	111.1	S627 D628 K633 S634 E635	S627-N631 WeakPolarHBondContact O-CB 3.25Å; S627-N631 PolarHBondContact O-N 2.67Å; S627-N631 PolarHBondContact O-ND2 3.38Å; S627-N631 PolarHBondContact O-OD1 3.16Å; D628-N631 PolarHBondContact O-N 3.48Å; N631-K633 PolarHBondContact O-N 3.26Å; N631-S634 WeakPolarHBondContact CA-OG 3.34Å; N631-S634 PolarHBondContact O-N 3.49Å; N631-S634 VanDerWaalsContact O-N 3.13Å; N631-S634 PolarHBondContact O-OG 2.85Å; N631-E635 WeakPolarHBondContact O-CG 3.35Å; N631-E635 PolarHBondContact O-N 3.33Å
632	M	93.5	Very high	93.6	Very high	106 Å²	106	95.2 Å²	95.2	52%	0.522	50%	0.496	S	S	.	.	H	α-helix	trans	-59.9	-30.4	173.9	-72.5	-174.2	-65.3	0	0	112.5	D628 V629 L636	D628-M632 WeakPolarHBondContact O-CB 3.36Å; D628-M632 WeakPolarHBondContact O-CG 3.41Å; D628-M632 PolarHBondContact O-N 2.97Å; V629-M632 HydrophobicContact CB-CE 4.5Å; V629-M632 HydrophobicContact CG2-CE 3.98Å; M632-L636 VanDerWaalsContact O-CB 3.31Å; M632-L636 WeakPolarHBondContact O-CB 3.28Å; M632-L636 PolarHBondContact O-N 3.31Å
633	K	94.6	Very high	93.7	Very high	112 Å²	112	91 Å²	91	49%	0.487	49%	0.485	S	S	.	.	H	α-helix	trans	-68.6	-47.4	173.1	-165.5	-167.3	177.7	-69.8	0	111.4	V629 L630 N631 E635 L636 D637	V629-K633 PolarHBondContact O-N 3.34Å; L630-K633 WeakPolarHBondContact O-CB 3.38Å; L630-K633 PolarHBondContact O-N 2.91Å; L630-K633 VanDerWaalsContact O-N 3.15Å; N631-K633 PolarHBondContact O-N 3.26Å; K633-E635 VanDerWaalsContact C-N 3.34Å; K633-E635 PolarHBondContact O-N 3.2Å; K633-L636 PolarHBondContact O-N 2.84Å; K633-L636 VanDerWaalsContact O-N 3.16Å; K633-D637 VanDerWaalsContact NZ-CG 3.29Å; K633-D637 IonicContact NZ-OD1 2.88Å; K633-D637 PolarHBondContact NZ-OD1 2.98Å; K633-D637 VanDerWaalsContact NZ-OD1 3.08Å; K633-D637 IonicContact NZ-OD2 3.44Å; K633-D637 PolarHBondContact NZ-OD2 3.09Å; K633-D637 VanDerWaalsContact O-CG 3.25Å; K633-D637 PolarHBondContact O-N 3.36Å
634	S	93.6	Very high	93.7	Very high	55 Å²	55	88.8 Å²	88.8	39%	0.385	48%	0.477	S	S	.	.	H	α-helix	trans	-61.2	-41.6	176.5	36.9	0	0	0	0	112.3	L630 N631 L636 D637 D638	L630-S634 PolarHBondContact O-N 3.5Å; L630-S634 PolarHBondContact O-OG 3.1Å; N631-S634 WeakPolarHBondContact CA-OG 3.34Å; N631-S634 PolarHBondContact O-N 3.49Å; N631-S634 VanDerWaalsContact O-N 3.13Å; N631-S634 PolarHBondContact O-OG 2.85Å; S634-L636 VanDerWaalsContact C-N 3.28Å; S634-L636 PolarHBondContact O-N 3.14Å; S634-D637 PolarHBondContact O-N 3.04Å; S634-D638 WeakPolarHBondContact O-CB 3.38Å; S634-D638 PolarHBondContact O-N 3.05Å
635	E	95.1	Very high	93.7	Very high	120 Å²	120	89.2 Å²	89.2	56%	0.561	48%	0.478	S	S	*	.	H	α-helix	trans	-61.6	-36.3	174.4	-70.2	172.8	-167.6	0	0	112.1	N631 K633 L639	N631-E635 WeakPolarHBondContact O-CG 3.35Å; N631-E635 PolarHBondContact O-N 3.33Å; K633-E635 VanDerWaalsContact C-N 3.34Å; K633-E635 PolarHBondContact O-N 3.2Å; E635-L639 WeakPolarHBondContact O-CB 3.44Å; E635-L639 WeakPolarHBondContact O-CG 3.47Å; E635-L639 PolarHBondContact O-N 2.83Å
636	L	94.9	Very high	93.8	Very high	114 Å²	114	85.9 Å²	85.9	60%	0.597	47%	0.47	S	S	*	.	H	α-helix	trans	-72.3	-39.9	175.2	-176.9	63.6	0	0	0	112.6	M632 K633 S634 D638 L639 N640	M632-L636 VanDerWaalsContact O-CB 3.31Å; M632-L636 WeakPolarHBondContact O-CB 3.28Å; M632-L636 PolarHBondContact O-N 3.31Å; K633-L636 PolarHBondContact O-N 2.84Å; K633-L636 VanDerWaalsContact O-N 3.16Å; S634-L636 VanDerWaalsContact C-N 3.28Å; S634-L636 PolarHBondContact O-N 3.14Å; L636-D638 VanDerWaalsContact C-N 3.35Å; L636-L639 PolarHBondContact O-N 3.33Å; L636-N640 WeakPolarHBondContact O-CB 3.5Å; L636-N640 PolarHBondContact O-N 3.06Å
637	D	94.2	Very high	93.9	Very high	83 Å²	83	88.7 Å²	88.7	44%	0.444	48%	0.479	S	S	.	.	H	α-helix	trans	-64	-40.5	175.2	-65.6	-35.8	0	0	0	110.3	K633 S634 N640 S641	K633-D637 VanDerWaalsContact NZ-CG 3.29Å; K633-D637 IonicContact NZ-OD1 2.88Å; K633-D637 PolarHBondContact NZ-OD1 2.98Å; K633-D637 VanDerWaalsContact NZ-OD1 3.08Å; K633-D637 IonicContact NZ-OD2 3.44Å; K633-D637 PolarHBondContact NZ-OD2 3.09Å; K633-D637 VanDerWaalsContact O-CG 3.25Å; K633-D637 PolarHBondContact O-N 3.36Å; S634-D637 PolarHBondContact O-N 3.04Å; D637-N640 PolarHBondContact O-N 3Å; D637-S641 PolarHBondContact O-N 2.81Å
638	D	95.1	Very high	94	Very high	115 Å²	115	88.7 Å²	88.7	62%	0.615	48%	0.482	S	S	*	.	H	α-helix	trans	-64.8	-44.6	173.5	-76.9	-26.4	0	0	0	112.3	S634 L636 N640 S641 L642	S634-D638 WeakPolarHBondContact O-CB 3.38Å; S634-D638 PolarHBondContact O-N 3.05Å; L636-D638 VanDerWaalsContact C-N 3.35Å; D638-N640 VanDerWaalsContact C-N 3.31Å; D638-N640 PolarHBondContact O-N 2.9Å; D638-S641 WeakPolarHBondContact O-CB 3.26Å; D638-S641 PolarHBondContact O-N 3.49Å; D638-L642 PolarHBondContact O-N 3.02Å
639	L	95.3	Very high	93.9	Very high	109 Å²	109	93.7 Å²	93.7	57%	0.571	50%	0.495	S	S	*	.	H	α-helix	trans	-63.1	-36.8	174.6	-78.1	169.3	0	0	0	112.2	E635 L636 L642 A643	E635-L639 WeakPolarHBondContact O-CB 3.44Å; E635-L639 WeakPolarHBondContact O-CG 3.47Å; E635-L639 PolarHBondContact O-N 2.83Å; L636-L639 PolarHBondContact O-N 3.33Å; L639-L642 PolarHBondContact O-N 3.25Å; L639-A643 WeakPolarHBondContact O-CB 3.18Å; L639-A643 PolarHBondContact O-N 3.33Å
640	N	94.7	Very high	93.8	Very high	101 Å²	101	93.5 Å²	93.5	54%	0.54	49%	0.494	S	S	.	.	H	α-helix	trans	-68.8	-40.2	175.2	-169.6	96.9	0	0	0	111.4	L636 D637 D638 L642 A643 C644	L636-N640 WeakPolarHBondContact O-CB 3.5Å; L636-N640 PolarHBondContact O-N 3.06Å; D637-N640 PolarHBondContact O-N 3Å; D638-N640 VanDerWaalsContact C-N 3.31Å; D638-N640 PolarHBondContact O-N 2.9Å; N640-L642 VanDerWaalsContact C-N 3.33Å; N640-L642 PolarHBondContact O-N 2.93Å; N640-A643 WeakPolarHBondContact O-CB 3.4Å; N640-A643 PolarHBondContact O-N 3.19Å; N640-C644 PolarHBondContact O-N 3.49Å; N640-C644 PolarHBondContact O-SG 3.49Å; N640-C644 VanDerWaalsContact O-SG 3.42Å
641	S	95.4	Very high	93.7	Very high	63 Å²	63	91.4 Å²	91.4	44%	0.441	49%	0.488	S	S	.	.	H	α-helix	trans	-58.8	-44.5	172.1	-174.8	0	0	0	0	111.6	D637 D638 A643 C644 M645	D637-S641 PolarHBondContact O-N 2.81Å; D638-S641 WeakPolarHBondContact O-CB 3.26Å; D638-S641 PolarHBondContact O-N 3.49Å; S641-A643 PolarHBondContact O-N 2.73Å; S641-C644 PolarHBondContact O-N 2.59Å; S641-M645 WeakPolarHBondContact O-CG 3.46Å; S641-M645 PolarHBondContact O-N 3.48Å
642	L	95.2	Very high	93.5	Very high	87 Å²	87	93.5 Å²	93.5	46%	0.455	50%	0.495	S	S	.	.	H	α-helix	trans	-63	-39.6	173.8	-179.8	60.5	0	0	0	112.5	D638 L639 N640 M645 I646	D638-L642 PolarHBondContact O-N 3.02Å; L639-L642 PolarHBondContact O-N 3.25Å; N640-L642 VanDerWaalsContact C-N 3.33Å; N640-L642 PolarHBondContact O-N 2.93Å; L642-M645 HydrophobicContact CD1-CE 4.25Å; L642-M645 PolarHBondContact O-N 3.08Å; L642-I646 HydrophobicContact CD1-CD1 4.11Å; L642-I646 HydrophobicContact CD1-CG1 4.38Å; L642-I646 HydrophobicContact CG-CD1 3.98Å; L642-I646 VanDerWaalsContact O-CG1 3.3Å; L642-I646 WeakPolarHBondContact O-CG1 3.39Å; L642-I646 PolarHBondContact O-N 2.85Å
643	A	95.5	Very high	93.1	Very high	40 Å²	40	94 Å²	94	33%	0.331	50%	0.496	S	S	.	.	H	α-helix	trans	-60.4	-50.3	175.4	0	0	0	0	0	111.4	L639 N640 S641 M645 I646 E647	L639-A643 WeakPolarHBondContact O-CB 3.18Å; L639-A643 PolarHBondContact O-N 3.33Å; N640-A643 WeakPolarHBondContact O-CB 3.4Å; N640-A643 PolarHBondContact O-N 3.19Å; S641-A643 PolarHBondContact O-N 2.73Å; A643-M645 VanDerWaalsContact C-N 3.31Å; A643-M645 PolarHBondContact O-N 2.74Å; A643-I646 CarbonylContact O-C 3.54Å; A643-I646 WeakPolarHBondContact O-CA 3.23Å; A643-I646 WeakPolarHBondContact O-CB 3.41Å; A643-I646 PolarHBondContact O-N 2.95Å; A643-E647 WeakPolarHBondContact O-CG 3.36Å; A643-E647 PolarHBondContact O-N 3.08Å
644	C	92.9	Very high	92.7	Very high	61 Å²	61	93.8 Å²	93.8	41%	0.412	50%	0.497	S	S	.	.	H	α-helix	trans	-61.9	-36.1	177.9	-63.5	0	0	0	0	112.9	N640 S641 I646 E647 A648	N640-C644 PolarHBondContact O-N 3.49Å; N640-C644 PolarHBondContact O-SG 3.49Å; N640-C644 VanDerWaalsContact O-SG 3.42Å; S641-C644 PolarHBondContact O-N 2.59Å; C644-I646 VanDerWaalsContact C-N 3.32Å; C644-I646 PolarHBondContact O-N 3.42Å; C644-E647 PolarHBondContact O-N 2.92Å; C644-A648 WeakPolarHBondContact O-CB 3.45Å; C644-A648 PolarHBondContact O-N 3.36Å
645	M	93.2	Very high	92.2	Very high	105 Å²	105	95.8 Å²	95.8	52%	0.517	50%	0.503	S	S	.	.	H	α-helix	trans	-67.3	-30	172.7	-73.5	-170.2	-68.1	0	0	113.2	S641 L642 A643 R649	S641-M645 WeakPolarHBondContact O-CG 3.46Å; S641-M645 PolarHBondContact O-N 3.48Å; L642-M645 HydrophobicContact CD1-CE 4.25Å; L642-M645 PolarHBondContact O-N 3.08Å; A643-M645 VanDerWaalsContact C-N 3.31Å; A643-M645 PolarHBondContact O-N 2.74Å; M645-R649 WeakPolarHBondContact O-CB 3.34Å; M645-R649 WeakPolarHBondContact O-CD 3.47Å; M645-R649 VanDerWaalsContact O-CG 3.25Å; M645-R649 WeakPolarHBondContact O-CG 3.39Å; M645-R649 PolarHBondContact O-N 3.3Å
646	I	92.6	Very high	91.4	Very high	88 Å²	88	92.7 Å²	92.7	45%	0.451	50%	0.498	S	S	.	.	H	α-helix	trans	-75.4	-45.3	174	-70.4	166.1	0	0	0	110	L642 A643 C644 A648 R649 V650	L642-I646 HydrophobicContact CD1-CD1 4.11Å; L642-I646 HydrophobicContact CD1-CG1 4.38Å; L642-I646 HydrophobicContact CG-CD1 3.98Å; L642-I646 VanDerWaalsContact O-CG1 3.3Å; L642-I646 WeakPolarHBondContact O-CG1 3.39Å; L642-I646 PolarHBondContact O-N 2.85Å; A643-I646 CarbonylContact O-C 3.54Å; A643-I646 WeakPolarHBondContact O-CA 3.23Å; A643-I646 WeakPolarHBondContact O-CB 3.41Å; A643-I646 PolarHBondContact O-N 2.95Å; C644-I646 VanDerWaalsContact C-N 3.32Å; C644-I646 PolarHBondContact O-N 3.42Å; I646-A648 PolarHBondContact O-N 2.83Å; I646-R649 PolarHBondContact O-N 2.81Å; I646-V650 HydrophobicContact CG2-CG2 4.26Å; I646-V650 WeakPolarHBondContact O-CB 3.42Å; I646-V650 VanDerWaalsContact O-CG2 3.31Å; I646-V650 WeakPolarHBondContact O-CG2 3.24Å; I646-V650 PolarHBondContact O-N 3.35Å
647	E	93	Very high	90.5	Very high	128 Å²	128	90.8 Å²	90.8	60%	0.598	49%	0.485	S	S	*	.	H	α-helix	trans	-58.4	-47.7	178.1	-71.1	171.6	156.1	0	0	111.9	A643 C644 R649 V650 S651	A643-E647 WeakPolarHBondContact O-CG 3.36Å; A643-E647 PolarHBondContact O-N 3.08Å; C644-E647 PolarHBondContact O-N 2.92Å; E647-R649 PolarHBondContact O-N 3.47Å; E647-V650 PolarHBondContact O-N 3.49Å; E647-S651 PolarHBondContact O-N 2.99Å
648	A	92.9	Very high	89.9	Confident	50 Å²	50	91.6 Å²	91.6	41%	0.413	49%	0.489	S	S	.	.	H	α-helix	trans	-58.3	-47.5	175.8	0	0	0	0	0	112	C644 I646 V650 S651 E652	C644-A648 WeakPolarHBondContact O-CB 3.45Å; C644-A648 PolarHBondContact O-N 3.36Å; I646-A648 PolarHBondContact O-N 2.83Å; A648-V650 VanDerWaalsContact C-N 3.29Å; A648-V650 PolarHBondContact O-N 2.88Å; A648-S651 WeakPolarHBondContact O-CB 3.37Å; A648-S651 PolarHBondContact O-N 2.89Å; A648-E652 WeakPolarHBondContact O-CG 3.23Å; A648-E652 PolarHBondContact O-N 3.03Å
649	R	91.3	Very high	89.1	Confident	177 Å²	177	90.6 Å²	90.6	67%	0.668	49%	0.487	S	S	*	.	H	α-helix	trans	-69.2	-24	178.3	-71.8	178.4	64.3	-153.6	-4.1	113.7	M645 I646 E647 Q653	M645-R649 WeakPolarHBondContact O-CB 3.34Å; M645-R649 WeakPolarHBondContact O-CD 3.47Å; M645-R649 VanDerWaalsContact O-CG 3.25Å; M645-R649 WeakPolarHBondContact O-CG 3.39Å; M645-R649 PolarHBondContact O-N 3.3Å; I646-R649 PolarHBondContact O-N 2.81Å; E647-R649 PolarHBondContact O-N 3.47Å; R649-Q653 VanDerWaalsContact O-CB 3.29Å; R649-Q653 WeakPolarHBondContact O-CB 3.25Å; R649-Q653 PolarHBondContact O-N 3.26Å
650	V	91.5	Very high	88.2	Confident	58 Å²	58	91.6 Å²	91.6	35%	0.352	49%	0.491	S	S	.	.	H	α-helix	trans	-73	-46.5	171.4	166.9	0	0	0	0	109.6	I646 E647 A648 Q653 E654	I646-V650 HydrophobicContact CG2-CG2 4.26Å; I646-V650 WeakPolarHBondContact O-CB 3.42Å; I646-V650 VanDerWaalsContact O-CG2 3.31Å; I646-V650 WeakPolarHBondContact O-CG2 3.24Å; I646-V650 PolarHBondContact O-N 3.35Å; E647-V650 PolarHBondContact O-N 3.49Å; A648-V650 VanDerWaalsContact C-N 3.29Å; A648-V650 PolarHBondContact O-N 2.88Å; V650-Q653 CarbonylContact O-C 3.49Å; V650-Q653 PolarHBondContact O-N 3.02Å; V650-Q653 VanDerWaalsContact O-N 3.11Å; V650-E654 HydrophobicContact CG1-CG 4.31Å; V650-E654 WeakPolarHBondContact O-CG 2.99Å; V650-E654 PolarHBondContact O-N 3.11Å
651	S	90.6	Very high	87.4	Confident	62 Å²	62	92.2 Å²	92.2	43%	0.434	49%	0.49	S	S	.	.	H	α-helix	trans	-55.7	-54.5	174.3	-165.7	0	0	0	0	111.2	E647 A648 Q653 E654 D655	E647-S651 PolarHBondContact O-N 2.99Å; A648-S651 WeakPolarHBondContact O-CB 3.37Å; A648-S651 PolarHBondContact O-N 2.89Å; S651-Q653 PolarHBondContact O-N 2.83Å; S651-Q653 VanDerWaalsContact O-N 3.11Å; S651-E654 PolarHBondContact O-N 3.39Å; S651-D655 PolarHBondContact O-N 3.44Å; S651-D655 PolarHBondContact OG-OD2 3.11Å
652	E	89.4	Confident	86.5	Confident	130 Å²	130	94.2 Å²	94.2	61%	0.607	50%	0.496	S	S	*	.	H	α-helix	trans	-52.6	-37.7	176.4	-71.3	171.4	176.8	0	0	112.5	A648 A656	A648-E652 WeakPolarHBondContact O-CG 3.23Å; A648-E652 PolarHBondContact O-N 3.03Å; E652-A656 WeakPolarHBondContact O-CB 3.39Å; E652-A656 PolarHBondContact O-N 3.42Å; E652-A656 VanDerWaalsContact O-N 3.14Å
653	Q	85.3	Confident	85.8	Confident	116 Å²	116	92.3 Å²	92.3	54%	0.542	49%	0.492	S	S	.	.	H	α-helix	trans	-83	-16.5	179.1	-152.8	-155.8	22.4	0	0	113.5	R649 V650 S651 K657	R649-Q653 VanDerWaalsContact O-CB 3.29Å; R649-Q653 WeakPolarHBondContact O-CB 3.25Å; R649-Q653 PolarHBondContact O-N 3.26Å; V650-Q653 CarbonylContact O-C 3.49Å; V650-Q653 PolarHBondContact O-N 3.02Å; V650-Q653 VanDerWaalsContact O-N 3.11Å; S651-Q653 PolarHBondContact O-N 2.83Å; S651-Q653 VanDerWaalsContact O-N 3.11Å; Q653-K657 VanDerWaalsContact CD-NZ 3.32Å; Q653-K657 WeakPolarHBondContact O-CB 3.47Å; Q653-K657 WeakPolarHBondContact O-CD 3.44Å; Q653-K657 WeakPolarHBondContact O-CE 3.5Å; Q653-K657 WeakPolarHBondContact O-CG 3.15Å; Q653-K657 PolarHBondContact O-N 3.24Å; Q653-K657 PolarHBondContact O-NZ 3.28Å; Q653-K657 VanDerWaalsContact O-NZ 3.11Å
654	E	85.1	Confident	85.2	Confident	107 Å²	107	98.5 Å²	98.5	50%	0.5	51%	0.507	S	S	.	.	H	α-helix	trans	-85.5	-46.7	173.4	-74.5	177.8	166.6	0	0	109.5	V650 S651 A656 K657 D658	V650-E654 HydrophobicContact CG1-CG 4.31Å; V650-E654 WeakPolarHBondContact O-CG 2.99Å; V650-E654 PolarHBondContact O-N 3.11Å; S651-E654 PolarHBondContact O-N 3.39Å; E654-A656 VanDerWaalsContact C-N 3.29Å; E654-A656 PolarHBondContact O-N 3.11Å; E654-K657 WeakPolarHBondContact O-CA 3.07Å; E654-K657 WeakPolarHBondContact O-CB 3.5Å; E654-K657 PolarHBondContact O-N 3.11Å; E654-D658 PolarHBondContact O-N 2.9Å
655	D	83.4	Confident	84.6	Confident	98 Å²	98	100.5 Å²	100.5	52%	0.524	51%	0.51	S	S	.	.	H	α-helix	trans	-53.9	-44.6	170.6	-65.1	-49.4	0	0	0	111.7	S651 K657 D658 T659	S651-D655 PolarHBondContact O-N 3.44Å; S651-D655 PolarHBondContact OG-OD2 3.11Å; D655-K657 PolarHBondContact O-N 3.04Å; D655-D658 PolarHBondContact O-N 3.03Å; D655-T659 WeakPolarHBondContact O-CB 3.49Å; D655-T659 WeakPolarHBondContact O-CG2 3.19Å; D655-T659 PolarHBondContact O-N 2.97Å; D655-T659 VanDerWaalsContact O-N 3.08Å; D655-T659 PolarHBondContact O-OG1 3.02Å
656	A	78	Confident	84	Confident	54 Å²	54	100.1 Å²	100.1	45%	0.446	51%	0.51	S	S	.	.	H	α-helix	trans	-70.1	-25.7	175.9	0	0	0	0	0	114.2	E652 E654 T659 M660	E652-A656 WeakPolarHBondContact O-CB 3.39Å; E652-A656 PolarHBondContact O-N 3.42Å; E652-A656 VanDerWaalsContact O-N 3.14Å; E654-A656 VanDerWaalsContact C-N 3.29Å; E654-A656 PolarHBondContact O-N 3.11Å; A656-T659 WeakPolarHBondContact CA-OG1 3.49Å; A656-T659 PolarHBondContact O-OG1 3.19Å; A656-M660 VanDerWaalsContact O-CB 3.29Å; A656-M660 WeakPolarHBondContact O-CB 3.48Å; A656-M660 PolarHBondContact O-N 2.96Å
657	K	76.9	Confident	83.5	Confident	74 Å²	74	99.8 Å²	99.8	32%	0.322	51%	0.508	S	S	.	.	H	α-helix	trans	-77.7	-41.6	173.5	-78.7	164.8	-156	130.8	0	110.9	Q653 E654 D655 M660 Q661	Q653-K657 VanDerWaalsContact CD-NZ 3.32Å; Q653-K657 WeakPolarHBondContact O-CB 3.47Å; Q653-K657 WeakPolarHBondContact O-CD 3.44Å; Q653-K657 WeakPolarHBondContact O-CE 3.5Å; Q653-K657 WeakPolarHBondContact O-CG 3.15Å; Q653-K657 PolarHBondContact O-N 3.24Å; Q653-K657 PolarHBondContact O-NZ 3.28Å; Q653-K657 VanDerWaalsContact O-NZ 3.11Å; E654-K657 WeakPolarHBondContact O-CA 3.07Å; E654-K657 WeakPolarHBondContact O-CB 3.5Å; E654-K657 PolarHBondContact O-N 3.11Å; D655-K657 PolarHBondContact O-N 3.04Å; K657-M660 PolarHBondContact O-N 2.84Å; K657-Q661 WeakPolarHBondContact O-CB 3.49Å; K657-Q661 VanDerWaalsContact O-CG 3.23Å; K657-Q661 WeakPolarHBondContact O-CG 3.17Å; K657-Q661 PolarHBondContact O-N 3.38Å; K657-Q661 PolarHBondContact O-NE2 2.97Å
658	D	79.8	Confident	82.9	Confident	101 Å²	101	96.3 Å²	96.3	54%	0.54	49%	0.493	S	S	.	.	H	α-helix	trans	-74.6	-40.2	-173.5	-75	0.7	0	0	0	111.1	E654 D655 M660 Q661 L662	E654-D658 PolarHBondContact O-N 2.9Å; D655-D658 PolarHBondContact O-N 3.03Å; D658-M660 PolarHBondContact O-N 2.96Å; D658-Q661 PolarHBondContact O-N 3.11Å; D658-Q661 PolarHBondContact OD1-NE2 2.87Å; D658-L662 WeakPolarHBondContact O-CB 3.22Å; D658-L662 PolarHBondContact O-N 3.42Å
659	T	78.3	Confident	82.4	Confident	93 Å²	93	98.6 Å²	98.6	57%	0.571	49%	0.494	S	S	*	.	H	α-helix	trans	-58.6	-44.2	167.9	49.1	0	0	0	0	112.5	D655 A656 L662 A663	D655-T659 WeakPolarHBondContact O-CB 3.49Å; D655-T659 WeakPolarHBondContact O-CG2 3.19Å; D655-T659 PolarHBondContact O-N 2.97Å; D655-T659 VanDerWaalsContact O-N 3.08Å; D655-T659 PolarHBondContact O-OG1 3.02Å; A656-T659 WeakPolarHBondContact CA-OG1 3.49Å; A656-T659 PolarHBondContact O-OG1 3.19Å; T659-L662 PolarHBondContact O-N 3.14Å; T659-A663 WeakPolarHBondContact O-CB 3.29Å; T659-A663 PolarHBondContact O-N 3.29Å
660	M	76.9	Confident	81.9	Confident	130 Å²	130	92.9 Å²	92.9	64%	0.64	48%	0.475	S	S	*	.	H	α-helix	trans	-69.5	-33.8	177.3	-172.3	177.8	64.3	0	0	113.1	A656 K657 D658 R664	A656-M660 VanDerWaalsContact O-CB 3.29Å; A656-M660 WeakPolarHBondContact O-CB 3.48Å; A656-M660 PolarHBondContact O-N 2.96Å; K657-M660 PolarHBondContact O-N 2.84Å; D658-M660 PolarHBondContact O-N 2.96Å; M660-R664 VanDerWaalsContact O-CB 3.25Å; M660-R664 WeakPolarHBondContact O-CB 3.45Å; M660-R664 PolarHBondContact O-N 3.38Å
661	Q	78.1	Confident	81.6	Confident	114 Å²	114	96 Å²	96	53%	0.533	48%	0.48	S	S	.	.	H	α-helix	trans	-67.1	-46	174	-79.4	169	106.5	0	0	111.1	K657 D658 R664 E665	K657-Q661 WeakPolarHBondContact O-CB 3.49Å; K657-Q661 VanDerWaalsContact O-CG 3.23Å; K657-Q661 WeakPolarHBondContact O-CG 3.17Å; K657-Q661 PolarHBondContact O-N 3.38Å; K657-Q661 PolarHBondContact O-NE2 2.97Å; D658-Q661 PolarHBondContact O-N 3.11Å; D658-Q661 PolarHBondContact OD1-NE2 2.87Å; Q661-R664 PolarHBondContact O-N 3.33Å; Q661-E665 PolarHBondContact O-N 3.47Å
662	L	77.6	Confident	81.3	Confident	105 Å²	105	98.2 Å²	98.2	55%	0.55	49%	0.487	S	S	.	.	H	α-helix	trans	-61.7	-48.9	177.3	-179.1	63.1	0	0	0	111.5	D658 T659 R664 E665 I666	D658-L662 WeakPolarHBondContact O-CB 3.22Å; D658-L662 PolarHBondContact O-N 3.42Å; T659-L662 PolarHBondContact O-N 3.14Å; L662-R664 VanDerWaalsContact C-N 3.27Å; L662-R664 PolarHBondContact O-N 3.06Å; L662-E665 PolarHBondContact O-N 3Å; L662-E665 VanDerWaalsContact O-N 3.14Å; L662-I666 HydrophobicContact CD1-CD1 4.38Å; L662-I666 HydrophobicContact CG-CD1 4.13Å; L662-I666 WeakPolarHBondContact O-CG1 3.47Å; L662-I666 PolarHBondContact O-N 3.41Å
663	A	79.8	Confident	81.1	Confident	47 Å²	47	95.2 Å²	95.2	39%	0.388	47%	0.47	S	S	.	.	H	α-helix	trans	-58	-40.5	175.6	0	0	0	0	0	111.8	T659 I666 I667	T659-A663 WeakPolarHBondContact O-CB 3.29Å; T659-A663 PolarHBondContact O-N 3.29Å; A663-I666 PolarHBondContact O-N 3Å; A663-I667 WeakPolarHBondContact O-CD1 3.4Å; A663-I667 VanDerWaalsContact O-CG1 3.24Å; A663-I667 WeakPolarHBondContact O-CG1 3.43Å; A663-I667 PolarHBondContact O-N 3.38Å
664	R	81.7	Confident	81.2	Confident	170 Å²	170	93.4 Å²	93.4	64%	0.642	46%	0.461	S	S	*	.	H	α-helix	trans	-66.2	-41.7	175.1	-177.6	176.4	-177.6	165.9	4	112.6	M660 Q661 L662 I666 I667 D668	M660-R664 VanDerWaalsContact O-CB 3.25Å; M660-R664 WeakPolarHBondContact O-CB 3.45Å; M660-R664 PolarHBondContact O-N 3.38Å; Q661-R664 PolarHBondContact O-N 3.33Å; L662-R664 VanDerWaalsContact C-N 3.27Å; L662-R664 PolarHBondContact O-N 3.06Å; R664-I666 VanDerWaalsContact C-N 3.33Å; R664-I666 PolarHBondContact O-N 3.41Å; R664-I667 PolarHBondContact O-N 3.25Å; R664-D668 WeakPolarHBondContact CG-OD2 3.47Å; R664-D668 IonicContact NE-OD2 3.81Å; R664-D668 PolarHBondContact NE-OD2 3.5Å; R664-D668 WeakPolarHBondContact O-CB 3.4Å; R664-D668 PolarHBondContact O-N 3.49Å
665	E	81.8	Confident	81.4	Confident	103 Å²	103	94.1 Å²	94.1	48%	0.481	46%	0.46	S	S	.	.	H	α-helix	trans	-63.5	-39.9	178	-167.9	-176.6	150	0	0	111.4	Q661 L662 K669	Q661-E665 PolarHBondContact O-N 3.47Å; L662-E665 PolarHBondContact O-N 3Å; L662-E665 VanDerWaalsContact O-N 3.14Å; E665-K669 HydrophobicContact CG-CD 4.31Å; E665-K669 VanDerWaalsContact O-CB 3.3Å; E665-K669 WeakPolarHBondContact O-CB 3.26Å; E665-K669 WeakPolarHBondContact O-CG 3.45Å; E665-K669 PolarHBondContact O-N 2.99Å; E665-K669 WeakPolarHBondContact OE1-CE 3.4Å; E665-K669 IonicContact OE1-NZ 3.59Å; E665-K669 PolarHBondContact OE1-NZ 2.84Å
666	I	80.4	Confident	81.7	Confident	98 Å²	98	93.1 Å²	93.1	50%	0.503	45%	0.452	S	S	.	.	H	α-helix	trans	-60.5	-50.5	173.6	-66.9	163.5	0	0	0	110.6	L662 A663 R664 K669 E670	L662-I666 HydrophobicContact CD1-CD1 4.38Å; L662-I666 HydrophobicContact CG-CD1 4.13Å; L662-I666 WeakPolarHBondContact O-CG1 3.47Å; L662-I666 PolarHBondContact O-N 3.41Å; A663-I666 PolarHBondContact O-N 3Å; R664-I666 VanDerWaalsContact C-N 3.33Å; R664-I666 PolarHBondContact O-N 3.41Å; I666-K669 PolarHBondContact O-N 3.27Å; I666-E670 PolarHBondContact O-N 3.45Å
667	I	81.4	Confident	82.3	Confident	81 Å²	81	90.9 Å²	90.9	42%	0.415	43%	0.432	S	S	.	.	H	α-helix	trans	-63.4	-44.2	-180	-69.4	165.2	0	0	0	111.7	A663 R664 K669 E670 R671	A663-I667 WeakPolarHBondContact O-CD1 3.4Å; A663-I667 VanDerWaalsContact O-CG1 3.24Å; A663-I667 WeakPolarHBondContact O-CG1 3.43Å; A663-I667 PolarHBondContact O-N 3.38Å; R664-I667 PolarHBondContact O-N 3.25Å; I667-K669 VanDerWaalsContact C-N 3.34Å; I667-E670 PolarHBondContact O-N 3.02Å; I667-R671 WeakPolarHBondContact O-CB 3.5Å; I667-R671 VanDerWaalsContact O-CG 3.28Å; I667-R671 WeakPolarHBondContact O-CG 3.31Å; I667-R671 PolarHBondContact O-N 2.81Å
668	D	81.4	Confident	82.9	Confident	54 Å²	54	95.9 Å²	95.9	29%	0.289	45%	0.449	S	S	.	.	H	α-helix	trans	-74.7	-24.5	-178.2	-72.3	-22.3	0	0	0	111.7	R664 R671 L672	R664-D668 WeakPolarHBondContact CG-OD2 3.47Å; R664-D668 IonicContact NE-OD2 3.81Å; R664-D668 PolarHBondContact NE-OD2 3.5Å; R664-D668 WeakPolarHBondContact O-CB 3.4Å; R664-D668 PolarHBondContact O-N 3.49Å; D668-R671 WeakPolarHBondContact OD1-CD 3.46Å; D668-R671 IonicContact OD1-CZ 3.92Å; D668-R671 IonicContact OD1-NH1 3.64Å; D668-R671 PolarHBondContact OD1-NH1 2.86Å; D668-L672 WeakPolarHBondContact O-CD1 3.29Å; D668-L672 VanDerWaalsContact O-CG 3.26Å; D668-L672 WeakPolarHBondContact O-CG 3.49Å; D668-L672 PolarHBondContact O-N 3.29Å
669	K	81	Confident	83.3	Confident	99 Å²	99	98.5 Å²	98.5	43%	0.43	46%	0.456	S	S	.	.	H	α-helix	trans	-66.4	-45.8	165.3	-79.5	170.2	-177.6	166	0	112.5	E665 I666 I667 L672 R673	E665-K669 HydrophobicContact CG-CD 4.31Å; E665-K669 VanDerWaalsContact O-CB 3.3Å; E665-K669 WeakPolarHBondContact O-CB 3.26Å; E665-K669 WeakPolarHBondContact O-CG 3.45Å; E665-K669 PolarHBondContact O-N 2.99Å; E665-K669 WeakPolarHBondContact OE1-CE 3.4Å; E665-K669 IonicContact OE1-NZ 3.59Å; E665-K669 PolarHBondContact OE1-NZ 2.84Å; I666-K669 PolarHBondContact O-N 3.27Å; I667-K669 VanDerWaalsContact C-N 3.34Å; K669-L672 WeakPolarHBondContact O-CB 3.25Å; K669-L672 PolarHBondContact O-N 2.84Å; K669-L672 VanDerWaalsContact O-N 3.08Å; K669-R673 PolarHBondContact O-N 2.85Å; K669-R673 VanDerWaalsContact O-N 3.09Å
670	E	81.3	Confident	83.9	Confident	56 Å²	56	96.6 Å²	96.6	26%	0.262	44%	0.438	S	S	.	.	H	α-helix	trans	-61.9	-46.5	177.1	-174.8	66.9	174.2	0	0	111.1	I666 I667 L672 R673 E674	I666-E670 PolarHBondContact O-N 3.45Å; I667-E670 PolarHBondContact O-N 3.02Å; E670-L672 PolarHBondContact O-N 3.21Å; E670-L672 VanDerWaalsContact O-N 3.09Å; E670-R673 WeakPolarHBondContact O-CB 3.42Å; E670-R673 PolarHBondContact O-N 3.44Å; E670-R673 IonicContact OE2-CZ 2.91Å; E670-R673 IonicContact OE2-NE 3.72Å; E670-R673 PolarHBondContact OE2-NE 3.37Å; E670-R673 IonicContact OE2-NH2 2.75Å; E670-R673 PolarHBondContact OE2-NH2 3.48Å; E670-E674 HydrophobicContact CG-CG 4.46Å; E670-E674 WeakPolarHBondContact O-CG 3.25Å; E670-E674 PolarHBondContact O-N 3.03Å
671	R	84.9	Confident	84.5	Confident	125 Å²	125	92.5 Å²	92.5	47%	0.472	42%	0.422	S	S	.	.	H	α-helix	trans	-61.6	-17	173.6	-70.3	167.2	172.7	165.1	-0.4	114.3	I667 D668 R675	I667-R671 WeakPolarHBondContact O-CB 3.5Å; I667-R671 VanDerWaalsContact O-CG 3.28Å; I667-R671 WeakPolarHBondContact O-CG 3.31Å; I667-R671 PolarHBondContact O-N 2.81Å; D668-R671 WeakPolarHBondContact OD1-CD 3.46Å; D668-R671 IonicContact OD1-CZ 3.92Å; D668-R671 IonicContact OD1-NH1 3.64Å; D668-R671 PolarHBondContact OD1-NH1 2.86Å; R671-R675 WeakPolarHBondContact O-CB 3.42Å; R671-R675 VanDerWaalsContact O-CZ 3.31Å; R671-R675 PolarHBondContact O-NH1 3.39Å; R671-R675 PolarHBondContact O-NH2 2.85Å
672	L	85.8	Confident	85.2	Confident	108 Å²	108	88 Å²	88	57%	0.565	40%	0.403	S	S	*	.	H	α-helix	trans	-82.2	-46.5	171.2	-78.3	162.6	0	0	0	110.5	D668 K669 E670 R675 E676	D668-L672 WeakPolarHBondContact O-CD1 3.29Å; D668-L672 VanDerWaalsContact O-CG 3.26Å; D668-L672 WeakPolarHBondContact O-CG 3.49Å; D668-L672 PolarHBondContact O-N 3.29Å; K669-L672 WeakPolarHBondContact O-CB 3.25Å; K669-L672 PolarHBondContact O-N 2.84Å; K669-L672 VanDerWaalsContact O-N 3.08Å; E670-L672 PolarHBondContact O-N 3.21Å; E670-L672 VanDerWaalsContact O-N 3.09Å; L672-R675 PolarHBondContact O-N 3.01Å; L672-E676 PolarHBondContact O-N 2.96Å
673	R	85.1	Confident	86	Confident	66 Å²	66	83.7 Å²	83.7	25%	0.249	38%	0.381	C	S	.	.	H	α-helix	trans	-54.7	-57.3	172.6	-71.4	-174.8	-74.5	-116.4	3.3	111.8	K669 E670 R675 E676 D677 G780	K669-R673 PolarHBondContact O-N 2.85Å; K669-R673 VanDerWaalsContact O-N 3.09Å; E670-R673 WeakPolarHBondContact O-CB 3.42Å; E670-R673 PolarHBondContact O-N 3.44Å; E670-R673 IonicContact OE2-CZ 2.91Å; E670-R673 IonicContact OE2-NE 3.72Å; E670-R673 PolarHBondContact OE2-NE 3.37Å; E670-R673 IonicContact OE2-NH2 2.75Å; E670-R673 PolarHBondContact OE2-NH2 3.48Å; R673-R675 PolarHBondContact O-N 3.09Å; R673-R675 VanDerWaalsContact O-N 3.1Å; R673-E676 PolarHBondContact O-N 3.44Å; R673-D677 WeakPolarHBondContact O-CB 3.35Å; R673-D677 PolarHBondContact O-N 3.26Å; R673-G780 VanDerWaalsContact CD-C 3.44Å; R673-G780 VanDerWaalsContact CD-O 3.3Å; R673-G780 WeakPolarHBondContact CD-O 3.21Å
674	E	87.3	Confident	86.7	Confident	78 Å²	78	81.6 Å²	81.6	36%	0.364	36%	0.363	S	S	.	.	H	α-helix	trans	-52.1	-37.9	178.5	-70.6	-177.3	146.4	0	0	113.3	E670 R678	E670-E674 HydrophobicContact CG-CG 4.46Å; E670-E674 WeakPolarHBondContact O-CG 3.25Å; E670-E674 PolarHBondContact O-N 3.03Å; E674-R678 WeakPolarHBondContact O-CB 3.42Å; E674-R678 PolarHBondContact O-N 3.21Å
675	R	88	Confident	87.3	Confident	123 Å²	123	76.7 Å²	76.7	46%	0.464	34%	0.344	S	S	.	.	H	α-helix	trans	-75.3	-40.5	-178.4	-171.5	-173.6	-61.7	92.6	5.7	111.3	R671 L672 R673 F679	R671-R675 WeakPolarHBondContact O-CB 3.42Å; R671-R675 VanDerWaalsContact O-CZ 3.31Å; R671-R675 PolarHBondContact O-NH1 3.39Å; R671-R675 PolarHBondContact O-NH2 2.85Å; L672-R675 PolarHBondContact O-N 3.01Å; R673-R675 PolarHBondContact O-N 3.09Å; R673-R675 VanDerWaalsContact O-N 3.1Å; R675-F679 HydrophobicContact CG-CD2 4.31Å; R675-F679 HydrophobicContact CG-CE2 3.78Å; R675-F679 HydrophobicContact CG-CZ 4.49Å; R675-F679 WeakPolarHBondContact O-CD2 3.46Å; R675-F679 PolarHBondContact O-N 3.22Å
676	E	90.1	Very high	87.9	Confident	77 Å²	77	71.9 Å²	71.9	36%	0.36	32%	0.322	S	S	.	.	H	α-helix	trans	-69.5	-45.9	177.1	-165.6	-176.7	149.2	0	0	111.2	L672 R673 R678 F679 R680 S778 P779	L672-E676 PolarHBondContact O-N 2.96Å; R673-E676 PolarHBondContact O-N 3.44Å; E676-R678 VanDerWaalsContact C-N 3.28Å; E676-R678 PolarHBondContact O-N 3.49Å; E676-F679 WeakPolarHBondContact O-CA 3.46Å; E676-F679 WeakPolarHBondContact O-CB 3.46Å; E676-F679 PolarHBondContact O-N 2.64Å; E676-R680 WeakPolarHBondContact O-CG 3.25Å; E676-R680 PolarHBondContact O-N 3.08Å; E676-R680 IonicContact OE1-CZ 3.77Å; E676-R680 IonicContact OE1-NE 3.77Å; E676-R680 PolarHBondContact OE1-NE 3.42Å; E676-R680 IonicContact OE1-NH2 3.63Å; E676-R680 PolarHBondContact OE1-NH2 3.5Å; E676-S778 VanDerWaalsContact CD-CB 3.43Å; E676-P779 WeakPolarHBondContact OE1-CD 3.5Å
677	D	90.2	Very high	88.5	Confident	6 Å²	6	69 Å²	69	3%	0.032	31%	0.308	C	S	.	.	H	α-helix	trans	-58.8	-39.8	174.6	-70	-15.5	0	0	0	111.1	R673 F679 R680 S681 S778 T781 Y806	R673-D677 WeakPolarHBondContact O-CB 3.35Å; R673-D677 PolarHBondContact O-N 3.26Å; D677-F679 VanDerWaalsContact C-N 3.32Å; D677-F679 PolarHBondContact O-N 2.83Å; D677-R680 CarbonylContact O-C 3.56Å; D677-R680 VanDerWaalsContact O-C 3.31Å; D677-R680 WeakPolarHBondContact O-CA 3.31Å; D677-R680 PolarHBondContact O-N 2.94Å; D677-S681 PolarHBondContact O-N 3.29Å; D677-S778 WeakPolarHBondContact OD1-CA 3.23Å; D677-S778 WeakPolarHBondContact OD1-CB 3.4Å; D677-S778 PolarHBondContact OD1-N 2.9Å; D677-S778 PolarHBondContact OD1-OG 2.77Å; D677-T781 WeakPolarHBondContact OD2-CB 3.33Å; D677-T781 PolarHBondContact OD2-OG1 2.96Å; D677-Y806 HydrophobicContact CB-CE2 4.09Å; D677-Y806 VanDerWaalsContact CB-OH 3.25Å; D677-Y806 WeakPolarHBondContact CB-OH 3.5Å
678	R	89.4	Confident	89	Confident	180 Å²	180	66.9 Å²	66.9	68%	0.679	31%	0.305	S	S	*	.	H	α-helix	trans	-62	-35.3	173	-168.3	179.2	-55.8	-164.3	1.5	113	E674 E676 R680 S681	E674-R678 WeakPolarHBondContact O-CB 3.42Å; E674-R678 PolarHBondContact O-N 3.21Å; E676-R678 VanDerWaalsContact C-N 3.28Å; E676-R678 PolarHBondContact O-N 3.49Å; R678-R680 VanDerWaalsContact C-N 3.31Å; R678-S681 WeakPolarHBondContact O-CB 3.3Å; R678-S681 PolarHBondContact O-N 3.39Å; R678-S681 PolarHBondContact O-OG 2.94Å
679	F	88.4	Confident	89.4	Confident	155 Å²	155	64.4 Å²	64.4	68%	0.68	29%	0.292	S	S	*	.	H	α-helix	trans	-72.7	-23.9	173	-70.8	-53.4	0	0	0	113.4	R675 E676 D677	R675-F679 HydrophobicContact CG-CD2 4.31Å; R675-F679 HydrophobicContact CG-CE2 3.78Å; R675-F679 HydrophobicContact CG-CZ 4.49Å; R675-F679 WeakPolarHBondContact O-CD2 3.46Å; R675-F679 PolarHBondContact O-N 3.22Å; E676-F679 WeakPolarHBondContact O-CA 3.46Å; E676-F679 WeakPolarHBondContact O-CB 3.46Å; E676-F679 PolarHBondContact O-N 2.64Å; D677-F679 VanDerWaalsContact C-N 3.32Å; D677-F679 PolarHBondContact O-N 2.83Å
680	R	90.7	Very high	89.7	Confident	54 Å²	54	62.1 Å²	62.1	20%	0.204	29%	0.287	C	S	.	.	H	α-helix	trans	-93.8	0.7	174.7	-59.4	167.2	175.2	-101.7	16.4	113.6	E676 D677 R678 S682 N683 D776	E676-R680 WeakPolarHBondContact O-CG 3.25Å; E676-R680 PolarHBondContact O-N 3.08Å; E676-R680 IonicContact OE1-CZ 3.77Å; E676-R680 IonicContact OE1-NE 3.77Å; E676-R680 PolarHBondContact OE1-NE 3.42Å; E676-R680 IonicContact OE1-NH2 3.63Å; E676-R680 PolarHBondContact OE1-NH2 3.5Å; D677-R680 CarbonylContact O-C 3.56Å; D677-R680 VanDerWaalsContact O-C 3.31Å; D677-R680 WeakPolarHBondContact O-CA 3.31Å; D677-R680 PolarHBondContact O-N 2.94Å; R678-R680 VanDerWaalsContact C-N 3.31Å; R680-S682 PolarHBondContact O-N 3.41Å; R680-N683 WeakPolarHBondContact O-CB 3.33Å; R680-N683 PolarHBondContact O-N 2.9Å; R680-D776 WeakPolarHBondContact CB-O 3.41Å; R680-D776 WeakPolarHBondContact CD-O 3.46Å; R680-D776 IonicContact CZ-OD2 2.59Å; R680-D776 IonicContact NH1-OD1 3.46Å; R680-D776 PolarHBondContact NH1-OD1 2.94Å; R680-D776 IonicContact NH1-OD2 2.91Å; R680-D776 PolarHBondContact NH1-OD2 2.8Å
681	S	89.4	Confident	89.8	Confident	44 Å²	44	62.2 Å²	62.2	31%	0.308	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.2	-171.2	58.3	0	0	0	0	116	D677 R678 A748 K751	D677-S681 PolarHBondContact O-N 3.29Å; R678-S681 WeakPolarHBondContact O-CB 3.3Å; R678-S681 PolarHBondContact O-N 3.39Å; R678-S681 PolarHBondContact O-OG 2.94Å; S681-A748 WeakPolarHBondContact O-CB 3.1Å; S681-K751 WeakPolarHBondContact O-CD 3.39Å
682	S	92.8	Very high	89.2	Confident	18 Å²	18	64.6 Å²	64.6	13%	0.126	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	12.4	171.8	-42.9	0	0	0	0	113.8	R680 F745	R680-S682 PolarHBondContact O-N 3.41Å; S682-F745 VanDerWaalsContact CB-O 3.26Å; S682-F745 WeakPolarHBondContact CB-O 3.28Å; S682-F745 PolarHBondContact O-N 2.89Å
683	N	94.8	Very high	88.1	Confident	15 Å²	15	61.1 Å²	61.1	8%	0.08	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	143.5	-174.8	-64.1	-2.7	0	0	0	112.8	R680 L742 V743 D776	R680-N683 WeakPolarHBondContact O-CB 3.33Å; R680-N683 PolarHBondContact O-N 2.9Å; N683-L742 HydrophobicContact CB-CD1 3.95Å; N683-V743 CarbonylContact C-O 3.4Å; N683-V743 VanDerWaalsContact CA-O 3.22Å; N683-V743 WeakPolarHBondContact CA-O 3.37Å; N683-D776 HydrophobicContact CB-CB 3.7Å; N683-D776 PolarHBondContact ND2-OD2 3.13Å; N683-D776 VanDerWaalsContact ND2-OD2 3.12Å
684	I	94.7	Very high	86.8	Confident	3 Å²	3	60 Å²	60	2%	0.015	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	143.3	164.3	-67.2	-174.1	0	0	0	108.9	V686 V743 F745 K751 V754 L755 L773 T774	I684-V686 HydrophobicContact CG2-CG2 4.07Å; I684-V743 PolarHBondContact N-O 3Å; I684-V743 PolarHBondContact O-N 2.93Å; I684-F745 HydrophobicContact CB-CE2 4.16Å; I684-F745 HydrophobicContact CD1-CE2 3.72Å; I684-F745 HydrophobicContact CD1-CZ 4.31Å; I684-F745 HydrophobicContact CG1-CD2 4.46Å; I684-F745 HydrophobicContact CG1-CE2 3.88Å; I684-K751 HydrophobicContact CD1-CB 4.49Å; I684-K751 HydrophobicContact CD1-CG 4.27Å; I684-K751 HydrophobicContact CG1-CB 4.25Å; I684-K751 HydrophobicContact CG1-CG 3.8Å; I684-V754 HydrophobicContact CD1-CB 3.8Å; I684-V754 HydrophobicContact CD1-CG1 3.59Å; I684-L755 HydrophobicContact CD1-CD2 3.93Å; I684-L755 HydrophobicContact CD1-CG 3.85Å; I684-L755 HydrophobicContact CG1-CD2 4.27Å; I684-L755 HydrophobicContact CG1-CG 4.26Å; I684-L773 HydrophobicContact CG2-CB 4.28Å; I684-L773 HydrophobicContact CG2-CD2 4.4Å; I684-T774 WeakPolarHBondContact CG2-O 3.5Å
685	R	94.6	Very high	85.6	Confident	67 Å²	67	66.6 Å²	66.6	25%	0.253	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	125.6	172.1	175.8	174.8	-70.3	-110.7	-0.9	109.3	I687 H740 I741 T774 D776	R685-I687 HydrophobicContact CG-CG1 4.35Å; R685-H740 HydrophobicContact CG-CB 3.99Å; R685-I741 WeakPolarHBondContact CA-O 3.14Å; R685-T774 PolarHBondContact N-O 3.26Å; R685-T774 PolarHBondContact O-N 2.65Å; R685-D776 HydrophobicContact CB-CB 4.28Å; R685-D776 IonicContact CZ-OD1 2.84Å; R685-D776 IonicContact NE-OD1 2.84Å; R685-D776 PolarHBondContact NE-OD1 2.63Å; R685-D776 IonicContact NH2-OD1 2.68Å; R685-D776 PolarHBondContact NH2-OD1 2.85Å
686	V	94.1	Very high	84.1	Confident	3 Å²	3	69 Å²	69	2%	0.018	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	132	-178.9	-171.1	0	0	0	0	110.6	I684 I689 I703 H740 I741 V743 I771 R772 L773	I684-V686 HydrophobicContact CG2-CG2 4.07Å; V686-I689 HydrophobicContact CB-CD1 4.29Å; V686-I689 HydrophobicContact CG1-CD1 3.46Å; V686-I689 VanDerWaalsContact CG1-CD1 3.46Å; V686-I689 HydrophobicContact CG1-CG1 4.06Å; V686-I703 HydrophobicContact CB-CD1 4.32Å; V686-I703 HydrophobicContact CG1-CD1 4.46Å; V686-I703 HydrophobicContact CG2-CD1 3.74Å; V686-H740 CarbonylContact O-C 3.57Å; V686-H740 VanDerWaalsContact O-CA 3.29Å; V686-H740 WeakPolarHBondContact O-CA 3.3Å; V686-H740 WeakPolarHBondContact O-CB 3.47Å; V686-I741 HydrophobicContact CB-CB 4.32Å; V686-I741 PolarHBondContact N-O 2.73Å; V686-I741 PolarHBondContact O-N 3.24Å; V686-V743 HydrophobicContact CG2-CG2 3.98Å; V686-I771 HydrophobicContact CG1-CD1 4.32Å; V686-R772 WeakPolarHBondContact CA-O 3.25Å; V686-L773 HydrophobicContact CB-CD2 4.02Å; V686-L773 HydrophobicContact CG1-CD2 3.65Å; V686-L773 HydrophobicContact CG2-CD2 3.43Å; V686-L773 VanDerWaalsContact CG2-CD2 3.43Å
687	I	93.6	Very high	82.9	Confident	38 Å²	38	68.2 Å²	68.2	20%	0.195	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	143.8	-169.4	-39.8	-175.2	0	0	0	109	R685 I771 R772 T774	R685-I687 HydrophobicContact CG-CG1 4.35Å; I687-I771 WeakPolarHBondContact O-CA 3.44Å; I687-I771 WeakPolarHBondContact O-CB 3.39Å; I687-R772 HydrophobicContact CB-CB 4.35Å; I687-R772 PolarHBondContact N-O 3.46Å; I687-R772 PolarHBondContact O-N 3.03Å; I687-T774 HydrophobicContact CD1-CG2 4.2Å
688	G	90.7	Very high	82.4	Confident	35 Å²	35	69.5 Å²	69.5	36%	0.361	33%	0.332	S	S	.	.			trans	102.3	-27.1	176.8	0	0	0	0	0	115.6
689	I	90.7	Very high	82.3	Confident	2 Å²	2	61.7 Å²	61.7	1%	0.01	31%	0.306	C	S	.	.			trans	-59.7	126.8	-176.6	-58.6	171.8	0	0	0	111	V686 I702 I703 V706 R726 P738 I741 Y766 I771	V686-I689 HydrophobicContact CB-CD1 4.29Å; V686-I689 HydrophobicContact CG1-CD1 3.46Å; V686-I689 VanDerWaalsContact CG1-CD1 3.46Å; V686-I689 HydrophobicContact CG1-CG1 4.06Å; I689-I702 HydrophobicContact CD1-CG2 3.93Å; I689-I702 HydrophobicContact CG2-CG2 4Å; I689-I703 HydrophobicContact CD1-CD1 4.39Å; I689-V706 HydrophobicContact CD1-CG2 4.47Å; I689-R726 PolarHBondContact O-NH1 3.12Å; I689-R726 PolarHBondContact O-NH2 2.8Å; I689-R726 VanDerWaalsContact O-NH2 3.15Å; I689-P738 VanDerWaalsContact O-CB 3.23Å; I689-P738 WeakPolarHBondContact O-CB 3.39Å; I689-I741 HydrophobicContact CD1-CD1 3.78Å; I689-I741 HydrophobicContact CD1-CG1 4.49Å; I689-I741 HydrophobicContact CG2-CD1 4.42Å; I689-Y766 HydrophobicContact CG2-CD1 4.12Å; I689-Y766 HydrophobicContact CG2-CE1 4.15Å; I689-I771 HydrophobicContact CG1-CG2 3.89Å
690	P	87.1	Confident	82.4	Confident	52 Å²	52	56.4 Å²	56.4	34%	0.338	29%	0.287	S	S	.	.			trans	-65.7	145.1	-176	25.7	-34.9	0	0	0	113.4	K692 R726	P690-K692 PolarHBondContact O-N 3.29Å; P690-R726 PolarHBondContact O-NH2 2.81Å
691	E	84.6	Confident	82.3	Confident	57 Å²	57	57.3 Å²	57.3	27%	0.266	30%	0.296	S	S	.	.	S	Bend	trans	-59.6	-38.9	-177.2	-75.4	-83.9	143.1	0	0	113.8	E693 N694 P738 R739	E691-E693 VanDerWaalsContact C-N 3.32Å; E691-E693 PolarHBondContact O-N 2.86Å; E691-N694 PolarHBondContact O-N 3Å; E691-P738 HydrophobicContact CG-CB 4.42Å; E691-R739 VanDerWaalsContact OE1-CB 3.27Å; E691-R739 WeakPolarHBondContact OE1-CB 3.49Å; E691-R739 VanDerWaalsContact OE1-CG 3.29Å; E691-R739 WeakPolarHBondContact OE1-CG 3.44Å; E691-R739 IonicContact OE1-CZ 2.62Å; E691-R739 PolarHBondContact OE1-N 2.81Å; E691-R739 IonicContact OE1-NE 2.73Å; E691-R739 PolarHBondContact OE1-NE 2.89Å; E691-R739 IonicContact OE1-NH2 3.23Å; E691-R739 IonicContact OE2-CZ 2.85Å; E691-R739 IonicContact OE2-NE 3.85Å; E691-R739 PolarHBondContact OE2-NE 3.11Å; E691-R739 IonicContact OE2-NH2 2.59Å; E691-R739 PolarHBondContact OE2-NH2 3.49Å
692	K	71.8	Confident	82.3	Confident	176 Å²	176	55.2 Å²	55.2	77%	0.765	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-61.8	-38.9	-169.2	-64.8	177.9	-178	174.1	0	112.8	P690 N694 R695	P690-K692 PolarHBondContact O-N 3.29Å; K692-N694 PolarHBondContact O-N 3.01Å; K692-R695 WeakPolarHBondContact O-CB 3.41Å; K692-R695 PolarHBondContact O-N 2.77Å; K692-R695 VanDerWaalsContact O-N 3.16Å
693	E	62.5	Low	82.3	Confident	35 Å²	35	54.7 Å²	54.7	16%	0.164	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-57	-34.4	-176.4	-163.5	62.3	-141	0	0	113.3	E691 R695 E696 N697 I702 Y766 R767	E691-E693 VanDerWaalsContact C-N 3.32Å; E691-E693 PolarHBondContact O-N 2.86Å; E693-R695 PolarHBondContact O-N 3.2Å; E693-E696 PolarHBondContact O-N 3.28Å; E693-E696 VanDerWaalsContact O-N 3.13Å; E693-N697 PolarHBondContact O-N 3.08Å; E693-I702 HydrophobicContact CB-CD1 4.16Å; E693-I702 HydrophobicContact CG-CD1 3.7Å; E693-I702 HydrophobicContact CG-CG1 4.2Å; E693-Y766 HydrophobicContact CG-CE1 4.12Å; E693-Y766 WeakPolarHBondContact CG-OH 3.44Å; E693-R767 IonicContact OE1-CZ 3.26Å; E693-R767 IonicContact OE1-NH1 2.69Å; E693-R767 PolarHBondContact OE1-NH1 3.43Å; E693-R767 IonicContact OE1-NH2 2.71Å; E693-R767 PolarHBondContact OE1-NH2 3.26Å; E693-R767 IonicContact OE2-CZ 3.15Å; E693-R767 IonicContact OE2-NH1 2.72Å; E693-R767 PolarHBondContact OE2-NH1 3.33Å
694	N	58.3	Low	82	Confident	41 Å²	41	58.2 Å²	58.2	22%	0.219	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-73.4	3.7	-176.6	-77	-141.3	0	0	0	113.5	E691 K692 N697 I702 R726	E691-N694 PolarHBondContact O-N 3Å; K692-N694 PolarHBondContact O-N 3.01Å; N694-N697 WeakPolarHBondContact CA-O 3.39Å; N694-I702 WeakPolarHBondContact ND2-CD1 3.35Å; N694-R726 PolarHBondContact ND2-NH2 3.01Å; N694-R726 WeakPolarHBondContact OD1-CG 3.32Å; N694-R726 PolarHBondContact OD1-NE 2.87Å
695	R	60.9	Low	81.8	Confident	218 Å²	218	60.4 Å²	60.4	82%	0.823	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-92.8	-20.9	171.6	-61.8	-173.6	178.1	-155	-0.4	113	K692 E693	K692-R695 WeakPolarHBondContact O-CB 3.41Å; K692-R695 PolarHBondContact O-N 2.77Å; K692-R695 VanDerWaalsContact O-N 3.16Å; E693-R695 PolarHBondContact O-N 3.2Å
696	E	56.3	Low	81.7	Confident	174 Å²	174	57.3 Å²	57.3	81%	0.813	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	-49	-176	-65.4	179.4	-161.6	0	0	110.2	E693	E693-E696 PolarHBondContact O-N 3.28Å; E693-E696 VanDerWaalsContact O-N 3.13Å
697	N	64.3	Low	81.5	Confident	59 Å²	59	57.9 Å²	57.9	32%	0.316	29%	0.293	S	S	.	.	S	Bend	trans	-99.2	143.7	173.3	-72.8	-7.9	0	0	0	111.7	E693 N694 I702 R767	E693-N697 PolarHBondContact O-N 3.08Å; N694-N697 WeakPolarHBondContact CA-O 3.39Å; N697-I702 HydrophobicContact CB-CD1 4.06Å; N697-I702 HydrophobicContact CB-CG1 3.75Å; N697-R767 PolarHBondContact ND2-NH2 3.4Å; N697-R767 VanDerWaalsContact ND2-NH2 3.18Å
698	G	81.6	Confident	81.3	Confident	33 Å²	33	61.6 Å²	61.6	34%	0.34	31%	0.309	S	S	.	.			trans	-66.8	147.5	172.5	0	0	0	0	0	111.4	V700 D701 I702	G698-V700 PolarHBondContact O-N 3.15Å; G698-V700 VanDerWaalsContact O-N 3.07Å; G698-D701 WeakPolarHBondContact CA-OD2 3.34Å; G698-D701 PolarHBondContact N-OD2 3.13Å; G698-D701 PolarHBondContact O-N 2.7Å; G698-I702 PolarHBondContact O-N 3.26Å
699	A	86.7	Confident	81.3	Confident	17 Å²	17	63.1 Å²	63.1	14%	0.14	31%	0.307	C	S	.	.	H	α-helix	trans	-60.8	-19.3	177.2	0	0	0	0	0	113.4	I703 A724 I741	A699-I703 VanDerWaalsContact O-CG1 3.22Å; A699-I703 WeakPolarHBondContact O-CG1 3.26Å; A699-A724 HydrophobicContact CB-CB 4.21Å; A699-A724 VanDerWaalsContact O-CB 3.28Å; A699-A724 WeakPolarHBondContact O-CB 3.42Å; A699-I741 HydrophobicContact CB-CD1 4.41Å; A699-I741 HydrophobicContact CB-CG2 4.48Å
700	V	90.1	Very high	81.3	Confident	44 Å²	44	63.8 Å²	63.8	27%	0.267	31%	0.31	S	S	.	.	H	α-helix	trans	-77	-39.4	171.4	173.1	0	0	0	0	111.3	G698 I703 K704 I721 A724	G698-V700 PolarHBondContact O-N 3.15Å; G698-V700 VanDerWaalsContact O-N 3.07Å; V700-I703 PolarHBondContact O-N 3.15Å; V700-K704 PolarHBondContact O-N 2.88Å; V700-K704 VanDerWaalsContact O-N 3.14Å; V700-I721 HydrophobicContact CG1-CG2 4.15Å; V700-I721 HydrophobicContact CG2-CG2 4.4Å; V700-A724 HydrophobicContact CG2-CB 3.84Å
701	D	89.2	Confident	81.4	Confident	73 Å²	73	61.7 Å²	61.7	39%	0.39	30%	0.296	S	S	.	.	H	α-helix	trans	-74.1	-36.1	-175.5	-50.2	-57.7	0	0	0	111.2	G698 I703 K704 E705	G698-D701 WeakPolarHBondContact CA-OD2 3.34Å; G698-D701 PolarHBondContact N-OD2 3.13Å; G698-D701 PolarHBondContact O-N 2.7Å; D701-I703 PolarHBondContact O-N 2.7Å; D701-K704 WeakPolarHBondContact O-CB 3.36Å; D701-K704 PolarHBondContact O-N 2.59Å; D701-K704 IonicContact OD1-NZ 3.58Å; D701-K704 PolarHBondContact OD1-NZ 3.03Å; D701-E705 PolarHBondContact O-N 3.16Å
702	I	90.1	Very high	81.3	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-59.4	-34.8	169.8	-67.5	171.2	0	0	0	111.7	I689 E693 N694 N697 G698 E705 V706 I741 Y766	I689-I702 HydrophobicContact CD1-CG2 3.93Å; I689-I702 HydrophobicContact CG2-CG2 4Å; E693-I702 HydrophobicContact CB-CD1 4.16Å; E693-I702 HydrophobicContact CG-CD1 3.7Å; E693-I702 HydrophobicContact CG-CG1 4.2Å; N694-I702 WeakPolarHBondContact ND2-CD1 3.35Å; N697-I702 HydrophobicContact CB-CD1 4.06Å; N697-I702 HydrophobicContact CB-CG1 3.75Å; G698-I702 PolarHBondContact O-N 3.26Å; I702-E705 PolarHBondContact O-N 3.47Å; I702-V706 WeakPolarHBondContact O-CG2 3.48Å; I702-V706 PolarHBondContact O-N 3.06Å; I702-I741 HydrophobicContact CG2-CD1 4.43Å; I702-Y766 HydrophobicContact CG2-CE1 4.3Å; I702-Y766 HydrophobicContact CG2-CE2 3.89Å
703	I	91.3	Very high	81.8	Confident	6 Å²	6	61.3 Å²	61.3	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-77.6	-29.5	178.7	-65.2	-66.8	0	0	0	111.8	V686 I689 A699 V700 D701 I707 I721 A724 I741 V743	V686-I703 HydrophobicContact CB-CD1 4.32Å; V686-I703 HydrophobicContact CG1-CD1 4.46Å; V686-I703 HydrophobicContact CG2-CD1 3.74Å; I689-I703 HydrophobicContact CD1-CD1 4.39Å; A699-I703 VanDerWaalsContact O-CG1 3.22Å; A699-I703 WeakPolarHBondContact O-CG1 3.26Å; V700-I703 PolarHBondContact O-N 3.15Å; D701-I703 PolarHBondContact O-N 2.7Å; I703-I707 HydrophobicContact CG2-CD1 4.06Å; I703-I707 WeakPolarHBondContact O-CD1 3.43Å; I703-I707 VanDerWaalsContact O-CG1 3.24Å; I703-I707 WeakPolarHBondContact O-CG1 3.4Å; I703-I707 PolarHBondContact O-N 3.05Å; I703-I721 HydrophobicContact CB-CD1 4.48Å; I703-I721 HydrophobicContact CG2-CD1 3.83Å; I703-A724 HydrophobicContact CG1-CB 4.32Å; I703-I741 HydrophobicContact CD1-CG2 4.41Å; I703-I741 HydrophobicContact CG1-CG2 4.4Å; I703-V743 HydrophobicContact CD1-CG2 3.63Å; I703-V743 HydrophobicContact CG1-CG2 3.67Å; I703-V743 HydrophobicContact CG2-CG1 4.15Å; I703-V743 HydrophobicContact CG2-CG2 4.21Å
704	K	89.9	Confident	82.8	Confident	89 Å²	89	60.1 Å²	60.1	39%	0.387	30%	0.303	S	S	.	.	H	α-helix	trans	-65.3	-48.5	167.2	-62.2	171.5	-167.1	150.3	0	110.7	V700 D701 V706 I707 E708 I721	V700-K704 PolarHBondContact O-N 2.88Å; V700-K704 VanDerWaalsContact O-N 3.14Å; D701-K704 WeakPolarHBondContact O-CB 3.36Å; D701-K704 PolarHBondContact O-N 2.59Å; D701-K704 IonicContact OD1-NZ 3.58Å; D701-K704 PolarHBondContact OD1-NZ 3.03Å; K704-V706 VanDerWaalsContact C-N 3.27Å; K704-V706 PolarHBondContact O-N 3.26Å; K704-I707 CarbonylContact O-C 3.6Å; K704-I707 WeakPolarHBondContact O-CA 3.02Å; K704-I707 PolarHBondContact O-N 2.96Å; K704-E708 WeakPolarHBondContact O-CB 3.28Å; K704-E708 VanDerWaalsContact O-CG 3.31Å; K704-E708 WeakPolarHBondContact O-CG 3.38Å; K704-E708 PolarHBondContact O-N 3.37Å; K704-I721 HydrophobicContact CG-CD1 4.37Å
705	E	90.4	Very high	83.2	Confident	49 Å²	49	63.7 Å²	63.7	23%	0.229	32%	0.318	C	S	.	.	H	α-helix	trans	-56.7	-39.8	176.3	-173.2	176.8	-163.3	0	0	111.5	D701 I702 E709 Y766 R767	D701-E705 PolarHBondContact O-N 3.16Å; I702-E705 PolarHBondContact O-N 3.47Å; E705-E709 WeakPolarHBondContact O-CB 3.25Å; E705-E709 PolarHBondContact O-N 3.46Å; E705-Y766 HydrophobicContact CB-CE2 4.03Å; E705-Y766 HydrophobicContact CG-CD2 4.47Å; E705-Y766 HydrophobicContact CG-CE2 3.71Å; E705-Y766 VanDerWaalsContact OE2-CE2 3.25Å; E705-Y766 WeakPolarHBondContact OE2-CE2 3.43Å; E705-Y766 PolarHBondContact OE2-OH 2.84Å; E705-R767 IonicContact OE1-CZ 3.71Å; E705-R767 VanDerWaalsContact OE1-CZ 3.26Å; E705-R767 IonicContact OE1-NE 3.71Å; E705-R767 PolarHBondContact OE1-NE 2.96Å; E705-R767 IonicContact OE1-NH2 2.75Å; E705-R767 PolarHBondContact OE1-NH2 3.26Å; E705-R767 IonicContact OE2-CZ 2.75Å; E705-R767 IonicContact OE2-NE 3.88Å; E705-R767 IonicContact OE2-NH2 3.13Å; E705-R767 PolarHBondContact OE2-NH2 3.01Å
706	V	91.7	Very high	83.2	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.012	32%	0.322	C	S	.	.	H	α-helix	trans	-63	-40.7	170.1	165.4	0	0	0	0	112.8	I689 I702 K704 N710 Y766 I771	I689-V706 HydrophobicContact CD1-CG2 4.47Å; I702-V706 WeakPolarHBondContact O-CG2 3.48Å; I702-V706 PolarHBondContact O-N 3.06Å; K704-V706 VanDerWaalsContact C-N 3.27Å; K704-V706 PolarHBondContact O-N 3.26Å; V706-N710 VanDerWaalsContact O-CB 3.29Å; V706-N710 WeakPolarHBondContact O-CB 3.39Å; V706-N710 PolarHBondContact O-N 2.95Å; V706-N710 PolarHBondContact O-ND2 3.42Å; V706-Y766 HydrophobicContact CG2-CD2 3.43Å; V706-Y766 VanDerWaalsContact CG2-CD2 3.43Å; V706-Y766 HydrophobicContact CG2-CE2 4.21Å; V706-Y766 HydrophobicContact CG2-CG 4.03Å; V706-I771 HydrophobicContact CB-CD1 4.39Å; V706-I771 HydrophobicContact CG1-CD1 3.69Å; V706-I771 HydrophobicContact CG2-CD1 3.69Å
707	I	90.6	Very high	83.8	Confident	16 Å²	16	56.4 Å²	56.4	8%	0.082	30%	0.299	C	S	.	.	H	α-helix	trans	-70.7	-43.6	-179.8	-70.2	161.9	0	0	0	110.7	I703 K704 N710 F711 L714 L719 I721	I703-I707 HydrophobicContact CG2-CD1 4.06Å; I703-I707 WeakPolarHBondContact O-CD1 3.43Å; I703-I707 VanDerWaalsContact O-CG1 3.24Å; I703-I707 WeakPolarHBondContact O-CG1 3.4Å; I703-I707 PolarHBondContact O-N 3.05Å; K704-I707 CarbonylContact O-C 3.6Å; K704-I707 WeakPolarHBondContact O-CA 3.02Å; K704-I707 PolarHBondContact O-N 2.96Å; I707-N710 PolarHBondContact O-N 3.26Å; I707-F711 HydrophobicContact CG1-CD2 4.39Å; I707-F711 WeakPolarHBondContact O-CA 3.25Å; I707-F711 PolarHBondContact O-N 3.43Å; I707-L714 HydrophobicContact CG2-CB 4.46Å; I707-L719 HydrophobicContact CD1-CD1 4.02Å; I707-L719 HydrophobicContact CG2-CD1 4.2Å; I707-I721 HydrophobicContact CD1-CD1 4.22Å
708	E	89.3	Confident	84.2	Confident	115 Å²	115	59.3 Å²	59.3	54%	0.537	32%	0.324	S	S	.	.	H	α-helix	trans	-63.2	-43.9	176.3	-67.2	161.3	-159.7	0	0	111	K704 N710 E715	K704-E708 WeakPolarHBondContact O-CB 3.28Å; K704-E708 VanDerWaalsContact O-CG 3.31Å; K704-E708 WeakPolarHBondContact O-CG 3.38Å; K704-E708 PolarHBondContact O-N 3.37Å; E708-N710 VanDerWaalsContact C-N 3.3Å; E708-N710 PolarHBondContact O-N 2.82Å; E708-E715 WeakPolarHBondContact CA-OE1 3.36Å
709	E	90.7	Very high	84.3	Confident	67 Å²	67	59.2 Å²	59.2	31%	0.313	32%	0.316	S	S	.	.	H	α-helix	trans	-66.7	-26.5	176.3	-176.5	175.6	162.4	0	0	113.3	E705 T765 Y766 R767 G768	E705-E709 WeakPolarHBondContact O-CB 3.25Å; E705-E709 PolarHBondContact O-N 3.46Å; E709-T765 VanDerWaalsContact OE1-C 3.3Å; E709-T765 WeakPolarHBondContact OE1-CB 3.5Å; E709-T765 PolarHBondContact OE1-OG1 3.42Å; E709-Y766 WeakPolarHBondContact OE2-CA 3.3Å; E709-R767 PolarHBondContact OE1-N 3.27Å; E709-R767 PolarHBondContact OE2-N 2.99Å; E709-G768 PolarHBondContact OE1-N 3.22Å
710	N	90.9	Very high	84.4	Confident	16 Å²	16	64.4 Å²	64.4	9%	0.086	34%	0.337	C	S	.	.	H	α-helix	trans	-116.6	-30.9	-168.4	-67.8	-82.7	0	0	0	117.1	V706 I707 E708 K761 I764 T765	V706-N710 VanDerWaalsContact O-CB 3.29Å; V706-N710 WeakPolarHBondContact O-CB 3.39Å; V706-N710 PolarHBondContact O-N 2.95Å; V706-N710 PolarHBondContact O-ND2 3.42Å; I707-N710 PolarHBondContact O-N 3.26Å; E708-N710 VanDerWaalsContact C-N 3.3Å; E708-N710 PolarHBondContact O-N 2.82Å; N710-K761 HydrophobicContact CB-CD 4.36Å; N710-K761 PolarHBondContact OD1-NZ 3.32Å; N710-I764 HydrophobicContact CB-CG2 4.24Å; N710-I764 WeakPolarHBondContact OD1-CA 3.46Å; N710-I764 WeakPolarHBondContact OD1-CG2 3.34Å; N710-T765 PolarHBondContact ND2-O 2.96Å; N710-T765 PolarHBondContact OD1-N 3Å; N710-T765 VanDerWaalsContact OD1-N 3.08Å
711	F	88.6	Confident	84.4	Confident	9 Å²	9	64 Å²	64	4%	0.039	33%	0.333	C	S	.	.			trans	-135.4	61.9	-161.4	-51.1	-53.3	0	0	0	111.7	I707 E713 L714 V754 A757 K761 I764 L773	I707-F711 HydrophobicContact CG1-CD2 4.39Å; I707-F711 WeakPolarHBondContact O-CA 3.25Å; I707-F711 PolarHBondContact O-N 3.43Å; F711-E713 PolarHBondContact O-N 3.43Å; F711-E713 VanDerWaalsContact O-N 3.08Å; F711-L714 HydrophobicContact CB-CB 4.17Å; F711-L714 HydrophobicContact CB-CD1 3.79Å; F711-L714 HydrophobicContact CB-CG 3.96Å; F711-L714 HydrophobicContact CD2-CD1 4.35Å; F711-L714 HydrophobicContact CG-CD1 4.17Å; F711-L714 WeakPolarHBondContact O-CA 3.46Å; F711-L714 WeakPolarHBondContact O-CB 3.22Å; F711-L714 PolarHBondContact O-N 2.93Å; F711-V754 HydrophobicContact CE2-CG1 4.27Å; F711-A757 HydrophobicContact CD1-CB 3.59Å; F711-A757 HydrophobicContact CE1-CB 3.93Å; F711-A757 HydrophobicContact CG-CB 4.15Å; F711-K761 HydrophobicContact CE1-CD 4.49Å; F711-I764 HydrophobicContact CZ-CD1 4.46Å; F711-I764 HydrophobicContact CZ-CG2 4.35Å; F711-L773 HydrophobicContact CE2-CD1 3.74Å; F711-L773 HydrophobicContact CZ-CD1 3.77Å
712	A	82.9	Confident	84.5	Confident	67 Å²	67	64.5 Å²	64.5	55%	0.554	34%	0.338	S	S	*	.	H	α-helix	trans	-50.1	-34	175	0	0	0	0	0	113.3	L714 E715	A712-L714 PolarHBondContact O-N 3.35Å; A712-L714 VanDerWaalsContact O-N 3.1Å; A712-E715 PolarHBondContact O-N 3.46Å; A712-E715 VanDerWaalsContact O-N 3.14Å
713	E	82.4	Confident	84.6	Confident	158 Å²	158	66.7 Å²	66.7	74%	0.738	35%	0.354	S	S	*	.	H	α-helix	trans	-57.6	-21.6	173.4	-61.7	-179.8	-169.8	0	0	114.3	F711 Q717	F711-E713 PolarHBondContact O-N 3.43Å; F711-E713 VanDerWaalsContact O-N 3.08Å; E713-Q717 PolarHBondContact O-NE2 2.81Å
714	L	81.8	Confident	84.7	Confident	9 Å²	9	67.1 Å²	67.1	5%	0.047	36%	0.358	C	S	.	.	H	α-helix	trans	-102	-9	-178.9	-56.9	-177.9	0	0	0	113.2	I707 F711 A712 Q717 L719 R753 V754 A757	I707-L714 HydrophobicContact CG2-CB 4.46Å; F711-L714 HydrophobicContact CB-CB 4.17Å; F711-L714 HydrophobicContact CB-CD1 3.79Å; F711-L714 HydrophobicContact CB-CG 3.96Å; F711-L714 HydrophobicContact CD2-CD1 4.35Å; F711-L714 HydrophobicContact CG-CD1 4.17Å; F711-L714 WeakPolarHBondContact O-CA 3.46Å; F711-L714 WeakPolarHBondContact O-CB 3.22Å; F711-L714 PolarHBondContact O-N 2.93Å; A712-L714 PolarHBondContact O-N 3.35Å; A712-L714 VanDerWaalsContact O-N 3.1Å; L714-Q717 WeakPolarHBondContact O-CB 3.41Å; L714-Q717 PolarHBondContact O-N 3.43Å; L714-L719 HydrophobicContact CB-CD1 4.1Å; L714-L719 HydrophobicContact CD1-CD1 4.27Å; L714-R753 HydrophobicContact CD2-CB 4.28Å; L714-V754 HydrophobicContact CD1-CG2 3.87Å; L714-A757 HydrophobicContact CD1-CB 4.15Å
715	E	67.6	Low	84.7	Confident	116 Å²	116	66.3 Å²	66.3	54%	0.542	36%	0.356	S	S	.	.	H	α-helix	trans	-65.9	-39.5	178.8	-68.5	-174.1	145.6	0	0	112.2	E708 A712 Q717	E708-E715 WeakPolarHBondContact CA-OE1 3.36Å; A712-E715 PolarHBondContact O-N 3.46Å; A712-E715 VanDerWaalsContact O-N 3.14Å; E715-Q717 PolarHBondContact O-N 2.94Å
716	D	61.6	Low	84.7	Confident	167 Å²	167	64.7 Å²	64.7	89%	0.893	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-8.5	172.7	-83.3	-32.2	0	0	0	113.1
717	Q	68.8	Low	84.6	Confident	73 Å²	73	66.4 Å²	66.4	34%	0.341	36%	0.358	S	S	.	.	S	Bend	trans	-110	118.2	-173.9	-55.9	-173.3	50.4	0	0	110.5	E713 L714 E715 L719	E713-Q717 PolarHBondContact O-NE2 2.81Å; L714-Q717 WeakPolarHBondContact O-CB 3.41Å; L714-Q717 PolarHBondContact O-N 3.43Å; E715-Q717 PolarHBondContact O-N 2.94Å; Q717-L719 PolarHBondContact O-N 3.48Å
718	S	72.1	Confident	84.4	Confident	119 Å²	119	69 Å²	69	83%	0.832	38%	0.375	S	S	*	.			trans	-68.5	87.1	-178.4	62.8	0	0	0	0	112.5
719	L	83.9	Confident	84	Confident	32 Å²	32	69.7 Å²	69.7	17%	0.168	38%	0.383	C	S	.	.			trans	-75.2	120.3	173.6	-67.2	174.2	0	0	0	110.4	I707 L714 Q717 I721 D750 V754	I707-L719 HydrophobicContact CD1-CD1 4.02Å; I707-L719 HydrophobicContact CG2-CD1 4.2Å; L714-L719 HydrophobicContact CB-CD1 4.1Å; L714-L719 HydrophobicContact CD1-CD1 4.27Å; Q717-L719 PolarHBondContact O-N 3.48Å; L719-I721 PolarHBondContact O-N 3.23Å; L719-D750 HydrophobicContact CD2-CB 3.9Å; L719-V754 HydrophobicContact CD1-CG2 3.91Å; L719-V754 HydrophobicContact CD2-CG2 4.37Å
720	E	87.8	Confident	83.6	Confident	126 Å²	126	70.4 Å²	70.4	59%	0.589	40%	0.395	S	S	*	.			trans	-88.8	99.8	178.5	-172.3	176.1	-161.2	0	0	110.6	V722 F745 G746 D750	E720-V722 HydrophobicContact CG-CG2 4.36Å; E720-V722 PolarHBondContact O-N 2.91Å; E720-F745 CarbonylContact O-C 3.47Å; E720-F745 WeakPolarHBondContact O-CA 3.47Å; E720-G746 PolarHBondContact O-N 3.31Å; E720-D750 PolarHBondContact N-OD2 3.42Å
721	I	90.6	Very high	83	Confident	36 Å²	36	73.6 Å²	73.6	19%	0.185	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	108.7	170.3	-57.7	170.2	0	0	0	108.8	V700 I703 K704 I707 L719 V743 F745	V700-I721 HydrophobicContact CG1-CG2 4.15Å; V700-I721 HydrophobicContact CG2-CG2 4.4Å; I703-I721 HydrophobicContact CB-CD1 4.48Å; I703-I721 HydrophobicContact CG2-CD1 3.83Å; K704-I721 HydrophobicContact CG-CD1 4.37Å; I707-I721 HydrophobicContact CD1-CD1 4.22Å; L719-I721 PolarHBondContact O-N 3.23Å; I721-V743 HydrophobicContact CG2-CG1 4.14Å; I721-F745 HydrophobicContact CG1-CD1 4.19Å; I721-F745 HydrophobicContact CG1-CE1 3.89Å
722	V	92.3	Very high	82.4	Confident	82 Å²	82	77.3 Å²	77.3	50%	0.497	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-39.3	179.5	172.9	0	0	0	0	111.3	E720 K744	E720-V722 HydrophobicContact CG-CG2 4.36Å; E720-V722 PolarHBondContact O-N 2.91Å; V722-K744 HydrophobicContact CB-CG 4.45Å; V722-K744 PolarHBondContact N-O 2.92Å
723	S	91.6	Very high	82.2	Confident	46 Å²	46	82.9 Å²	82.9	32%	0.322	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	157.2	171.8	63.7	0	0	0	0	112.5	K744	S723-K744 PolarHBondContact N-O 3.34Å; S723-K744 PolarHBondContact O-N 3.38Å
724	A	92.9	Very high	82.1	Confident	15 Å²	15	82.4 Å²	82.4	12%	0.124	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	138	166.9	0	0	0	0	0	109.2	A699 V700 I703 I741 L742 V743	A699-A724 HydrophobicContact CB-CB 4.21Å; A699-A724 VanDerWaalsContact O-CB 3.28Å; A699-A724 WeakPolarHBondContact O-CB 3.42Å; V700-A724 HydrophobicContact CG2-CB 3.84Å; I703-A724 HydrophobicContact CG1-CB 4.32Å; A724-I741 HydrophobicContact CB-CG2 4.08Å; A724-L742 WeakPolarHBondContact CA-O 3.46Å; A724-V743 HydrophobicContact CB-CG2 4.19Å
725	H	90.8	Very high	82	Confident	73 Å²	73	86 Å²	86	34%	0.338	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	153.8	-177.8	61.7	-61.5	0	0	0	112.3	I741 L742	H725-I741 CarbonylContact O-C 3.31Å; H725-I741 WeakPolarHBondContact O-CA 3.46Å; H725-L742 PolarHBondContact N-O 2.9Å; H725-L742 PolarHBondContact ND1-O 2.79Å; H725-L742 PolarHBondContact O-N 2.95Å
726	R	90	Very high	82.7	Confident	15 Å²	15	87.4 Å²	87.4	6%	0.057	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	137.3	174.9	-69.3	-78.5	177.9	153.3	7.8	110.9	I689 P690 N694 P728 N729 R739 H740 I741	I689-R726 PolarHBondContact O-NH1 3.12Å; I689-R726 PolarHBondContact O-NH2 2.8Å; I689-R726 VanDerWaalsContact O-NH2 3.15Å; P690-R726 PolarHBondContact O-NH2 2.81Å; N694-R726 PolarHBondContact ND2-NH2 3.01Å; N694-R726 WeakPolarHBondContact OD1-CG 3.32Å; N694-R726 PolarHBondContact OD1-NE 2.87Å; R726-P728 CarbonylContact O-C 3.45Å; R726-N729 PolarHBondContact O-N 3.25Å; R726-N729 PolarHBondContact O-OD1 3.43Å; R726-R739 HydrophobicContact CB-CB 4.46Å; R726-R739 VanDerWaalsContact CD-O 3.32Å; R726-R739 WeakPolarHBondContact CD-O 3.33Å; R726-R739 PolarHBondContact NH1-O 3.49Å; R726-H740 CarbonylContact C-O 3.53Å; R726-H740 WeakPolarHBondContact CA-O 3.28Å; R726-I741 HydrophobicContact CG-CG1 4.36Å
727	V	89.8	Confident	83.9	Confident	38 Å²	38	83.1 Å²	83.1	23%	0.23	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.4	178.4	-179.3	0	0	0	0	110.3	H740 L742	V727-H740 PolarHBondContact N-O 2.88Å; V727-L742 HydrophobicContact CG2-CB 3.53Å; V727-L742 HydrophobicContact CG2-CD2 4.09Å; V727-L742 HydrophobicContact CG2-CG 4.47Å
728	P	85.5	Confident	84.9	Confident	69 Å²	69	81.8 Å²	81.8	45%	0.448	45%	0.454	S	S	.	.	S	Bend	cis	-65.2	159.4	-5.7	-20.6	34.4	0	0	0	113.7	R726 S730 R739	R726-P728 CarbonylContact O-C 3.45Å; P728-S730 VanDerWaalsContact C-N 3.31Å; P728-S730 PolarHBondContact O-N 2.82Å; P728-R739 WeakPolarHBondContact O-CD 3.45Å; P728-R739 PolarHBondContact O-NH1 2.86Å
729	N	82.3	Confident	85.8	Confident	131 Å²	131	77.2 Å²	77.2	70%	0.701	42%	0.419	S	S	*	.	S	Bend	trans	-62	-37.3	178.8	-74	-11.3	0	0	0	112.6	R726 R739	R726-N729 PolarHBondContact O-N 3.25Å; R726-N729 PolarHBondContact O-OD1 3.43Å; N729-R739 PolarHBondContact O-NH1 3.42Å
730	S	80.6	Confident	86.2	Confident	82 Å²	82	77.5 Å²	77.5	57%	0.573	42%	0.419	S	S	*	.	S	Bend	trans	-69.1	138.8	172.9	47.4	0	0	0	0	111.2	P728 R739	P728-S730 VanDerWaalsContact C-N 3.31Å; P728-S730 PolarHBondContact O-N 2.82Å; S730-R739 VanDerWaalsContact C-NH1 3.32Å; S730-R739 VanDerWaalsContact O-CD 3.24Å; S730-R739 WeakPolarHBondContact O-CD 3.44Å; S730-R739 PolarHBondContact O-NH1 2.93Å; S730-R739 VanDerWaalsContact O-NH1 3.1Å
731	V	78.6	Confident	86.5	Confident	82 Å²	82	71.5 Å²	71.5	50%	0.497	39%	0.391	S	S	.	.			trans	-68.9	141.3	158.8	-178.6	0	0	0	0	107.5
732	D	77.3	Confident	86.7	Confident	87 Å²	87	71 Å²	71	47%	0.465	39%	0.389	S	S	.	.			trans	-112.4	119.2	163.7	174.1	2.9	0	0	0	106.5	H734 R735	D732-H734 PolarHBondContact O-N 2.85Å; D732-H734 IonicContact OD1-CD2 2.93Å; D732-H734 IonicContact OD1-CG 3Å; D732-H734 PolarHBondContact OD1-N 2.78Å; D732-R735 HydrophobicContact CB-CB 4.03Å; D732-R735 PolarHBondContact O-N 2.92Å
733	E	77.4	Confident	86.8	Confident	184 Å²	184	67.1 Å²	67.1	86%	0.86	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-15.8	-175.4	-61.7	-171.8	164.2	0	0	112.5
734	H	79.8	Confident	86.9	Confident	149 Å²	149	68.9 Å²	68.9	69%	0.69	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-8.8	177	-54.6	-84.3	0	0	0	112.9	D732 V736	D732-H734 PolarHBondContact O-N 2.85Å; D732-H734 IonicContact OD1-CD2 2.93Å; D732-H734 IonicContact OD1-CG 3Å; D732-H734 PolarHBondContact OD1-N 2.78Å; H734-V736 PolarHBondContact O-N 3.36Å
735	R	80.8	Confident	87	Confident	83 Å²	83	68.4 Å²	68.4	31%	0.313	36%	0.362	S	S	.	.			trans	-81.1	106.8	-175.2	-168.5	-172.7	163.9	152.6	2	111.7	D732 T737 P738 H740	D732-R735 HydrophobicContact CB-CB 4.03Å; D732-R735 PolarHBondContact O-N 2.92Å; R735-T737 VanDerWaalsContact CD-O 3.26Å; R735-T737 WeakPolarHBondContact CD-O 3.4Å; R735-T737 WeakPolarHBondContact CG-O 3.41Å; R735-T737 PolarHBondContact NE-O 2.94Å; R735-T737 PolarHBondContact NE-OG1 3.5Å; R735-T737 PolarHBondContact NH2-OG1 2.97Å; R735-T737 PolarHBondContact O-N 3.41Å; R735-P738 PolarHBondContact NH2-O 3.39Å; R735-H740 PolarHBondContact NH2-CD2 3.27Å; R735-H740 VanDerWaalsContact NH2-CD2 3.34Å; R735-H740 PolarHBondContact NH2-NE2 3.08Å; R735-H740 VanDerWaalsContact NH2-NE2 3.17Å
736	V	82.3	Confident	86.9	Confident	146 Å²	146	66.7 Å²	66.7	89%	0.885	37%	0.365	S	S	*	.			trans	-67.4	-27	177.6	-66.7	0	0	0	0	114.7	H734	H734-V736 PolarHBondContact O-N 3.36Å
737	T	86.3	Confident	87	Confident	78 Å²	78	68.4 Å²	68.4	48%	0.479	38%	0.379	S	S	.	.	S	Bend	trans	-92.7	139.1	176.6	58	0	0	0	0	111.5	R735	R735-T737 VanDerWaalsContact CD-O 3.26Å; R735-T737 WeakPolarHBondContact CD-O 3.4Å; R735-T737 WeakPolarHBondContact CG-O 3.41Å; R735-T737 PolarHBondContact NE-O 2.94Å; R735-T737 PolarHBondContact NE-OG1 3.5Å; R735-T737 PolarHBondContact NH2-OG1 2.97Å; R735-T737 PolarHBondContact O-N 3.41Å
738	P	89.2	Confident	87	Confident	45 Å²	45	68.5 Å²	68.5	29%	0.292	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-57.7	142.9	174.4	-23.2	33.1	0	0	0	112.5	I689 E691 R735	I689-P738 VanDerWaalsContact O-CB 3.23Å; I689-P738 WeakPolarHBondContact O-CB 3.39Å; E691-P738 HydrophobicContact CG-CB 4.42Å; R735-P738 PolarHBondContact NH2-O 3.39Å
739	R	91.3	Very high	87.2	Confident	22 Å²	22	67.6 Å²	67.6	8%	0.083	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-67.2	147.5	175.1	-65.3	171.7	-62.5	145.3	0.2	110.5	E691 R726 P728 N729 S730	E691-R739 VanDerWaalsContact OE1-CB 3.27Å; E691-R739 WeakPolarHBondContact OE1-CB 3.49Å; E691-R739 VanDerWaalsContact OE1-CG 3.29Å; E691-R739 WeakPolarHBondContact OE1-CG 3.44Å; E691-R739 IonicContact OE1-CZ 2.62Å; E691-R739 PolarHBondContact OE1-N 2.81Å; E691-R739 IonicContact OE1-NE 2.73Å; E691-R739 PolarHBondContact OE1-NE 2.89Å; E691-R739 IonicContact OE1-NH2 3.23Å; E691-R739 IonicContact OE2-CZ 2.85Å; E691-R739 IonicContact OE2-NE 3.85Å; E691-R739 PolarHBondContact OE2-NE 3.11Å; E691-R739 IonicContact OE2-NH2 2.59Å; E691-R739 PolarHBondContact OE2-NH2 3.49Å; R726-R739 HydrophobicContact CB-CB 4.46Å; R726-R739 VanDerWaalsContact CD-O 3.32Å; R726-R739 WeakPolarHBondContact CD-O 3.33Å; R726-R739 PolarHBondContact NH1-O 3.49Å; P728-R739 WeakPolarHBondContact O-CD 3.45Å; P728-R739 PolarHBondContact O-NH1 2.86Å; N729-R739 PolarHBondContact O-NH1 3.42Å; S730-R739 VanDerWaalsContact C-NH1 3.32Å; S730-R739 VanDerWaalsContact O-CD 3.24Å; S730-R739 WeakPolarHBondContact O-CD 3.44Å; S730-R739 PolarHBondContact O-NH1 2.93Å; S730-R739 VanDerWaalsContact O-NH1 3.1Å
740	H	93	Very high	87.7	Confident	38 Å²	38	61.9 Å²	61.9	18%	0.176	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	146.6	-172.3	-54.9	-150.5	0	0	0	108.4	R685 V686 R726 V727 R735	R685-H740 HydrophobicContact CG-CB 3.99Å; V686-H740 CarbonylContact O-C 3.57Å; V686-H740 VanDerWaalsContact O-CA 3.29Å; V686-H740 WeakPolarHBondContact O-CA 3.3Å; V686-H740 WeakPolarHBondContact O-CB 3.47Å; R726-H740 CarbonylContact C-O 3.53Å; R726-H740 WeakPolarHBondContact CA-O 3.28Å; V727-H740 PolarHBondContact N-O 2.88Å; R735-H740 PolarHBondContact NH2-CD2 3.27Å; R735-H740 VanDerWaalsContact NH2-CD2 3.34Å; R735-H740 PolarHBondContact NH2-NE2 3.08Å; R735-H740 VanDerWaalsContact NH2-NE2 3.17Å
741	I	93.4	Very high	88.1	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	124.1	169.9	-59.4	-176.4	0	0	0	108.2	R685 V686 I689 A699 I702 I703 A724 H725 R726 V743	R685-I741 WeakPolarHBondContact CA-O 3.14Å; V686-I741 HydrophobicContact CB-CB 4.32Å; V686-I741 PolarHBondContact N-O 2.73Å; V686-I741 PolarHBondContact O-N 3.24Å; I689-I741 HydrophobicContact CD1-CD1 3.78Å; I689-I741 HydrophobicContact CD1-CG1 4.49Å; I689-I741 HydrophobicContact CG2-CD1 4.42Å; A699-I741 HydrophobicContact CB-CD1 4.41Å; A699-I741 HydrophobicContact CB-CG2 4.48Å; I702-I741 HydrophobicContact CG2-CD1 4.43Å; I703-I741 HydrophobicContact CD1-CG2 4.41Å; I703-I741 HydrophobicContact CG1-CG2 4.4Å; A724-I741 HydrophobicContact CB-CG2 4.08Å; H725-I741 CarbonylContact O-C 3.31Å; H725-I741 WeakPolarHBondContact O-CA 3.46Å; R726-I741 HydrophobicContact CG-CG1 4.36Å; I741-V743 HydrophobicContact CG2-CG2 3.93Å
742	L	94.6	Very high	88.7	Confident	25 Å²	25	58.4 Å²	58.4	13%	0.131	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	114.3	167.9	-178	60.8	0	0	0	108.6	N683 A724 H725 V727 D776	N683-L742 HydrophobicContact CB-CD1 3.95Å; A724-L742 WeakPolarHBondContact CA-O 3.46Å; H725-L742 PolarHBondContact N-O 2.9Å; H725-L742 PolarHBondContact ND1-O 2.79Å; H725-L742 PolarHBondContact O-N 2.95Å; V727-L742 HydrophobicContact CG2-CB 3.53Å; V727-L742 HydrophobicContact CG2-CD2 4.09Å; V727-L742 HydrophobicContact CG2-CG 4.47Å; L742-D776 HydrophobicContact CD1-CB 3.75Å; L742-D776 VanDerWaalsContact CD1-CG 3.44Å
743	V	94.9	Very high	89.4	Confident	1 Å²	1	58 Å²	58	1%	0.006	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	135.6	177.6	-173	0	0	0	0	108.4	N683 I684 V686 I703 I721 A724 I741 F745	N683-V743 CarbonylContact C-O 3.4Å; N683-V743 VanDerWaalsContact CA-O 3.22Å; N683-V743 WeakPolarHBondContact CA-O 3.37Å; I684-V743 PolarHBondContact N-O 3Å; I684-V743 PolarHBondContact O-N 2.93Å; V686-V743 HydrophobicContact CG2-CG2 3.98Å; I703-V743 HydrophobicContact CD1-CG2 3.63Å; I703-V743 HydrophobicContact CG1-CG2 3.67Å; I703-V743 HydrophobicContact CG2-CG1 4.15Å; I703-V743 HydrophobicContact CG2-CG2 4.21Å; I721-V743 HydrophobicContact CG2-CG1 4.14Å; A724-V743 HydrophobicContact CB-CG2 4.19Å; I741-V743 HydrophobicContact CG2-CG2 3.93Å; V743-F745 HydrophobicContact CB-CE2 4.29Å; V743-F745 HydrophobicContact CG1-CD2 4.22Å; V743-F745 HydrophobicContact CG1-CE2 3.65Å; V743-F745 HydrophobicContact CG1-CZ 3.86Å
744	K	94.8	Very high	90	Very high	83 Å²	83	49.5 Å²	49.5	36%	0.361	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	124.2	171.8	178.3	165	-178.9	157	0	110.3	V722 S723	V722-K744 HydrophobicContact CB-CG 4.45Å; V722-K744 PolarHBondContact N-O 2.92Å; S723-K744 PolarHBondContact N-O 3.34Å; S723-K744 PolarHBondContact O-N 3.38Å
745	F	93.7	Very high	90.6	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	162.6	173.2	-63.6	-91.5	0	0	0	111.8	S682 I684 E720 I721 V743 S747 D750 K751 V754	S682-F745 VanDerWaalsContact CB-O 3.26Å; S682-F745 WeakPolarHBondContact CB-O 3.28Å; S682-F745 PolarHBondContact O-N 2.89Å; I684-F745 HydrophobicContact CB-CE2 4.16Å; I684-F745 HydrophobicContact CD1-CE2 3.72Å; I684-F745 HydrophobicContact CD1-CZ 4.31Å; I684-F745 HydrophobicContact CG1-CD2 4.46Å; I684-F745 HydrophobicContact CG1-CE2 3.88Å; E720-F745 CarbonylContact O-C 3.47Å; E720-F745 WeakPolarHBondContact O-CA 3.47Å; I721-F745 HydrophobicContact CG1-CD1 4.19Å; I721-F745 HydrophobicContact CG1-CE1 3.89Å; V743-F745 HydrophobicContact CB-CE2 4.29Å; V743-F745 HydrophobicContact CG1-CD2 4.22Å; V743-F745 HydrophobicContact CG1-CE2 3.65Å; V743-F745 HydrophobicContact CG1-CZ 3.86Å; F745-S747 VanDerWaalsContact C-N 3.33Å; F745-D750 HydrophobicContact CB-CB 3.81Å; F745-D750 HydrophobicContact CD1-CB 3.82Å; F745-D750 HydrophobicContact CG-CB 3.97Å; F745-K751 HydrophobicContact CD2-CB 4.47Å; F745-V754 HydrophobicContact CE1-CG2 4.26Å; F745-V754 HydrophobicContact CZ-CG2 4.11Å
746	G	90.3	Very high	91.1	Very high	38 Å²	38	46.3 Å²	46.3	39%	0.392	26%	0.257	S	S	.	.	S	Bend	trans	-66.2	-35.2	174.4	0	0	0	0	0	112.4	E720	E720-G746 PolarHBondContact O-N 3.31Å
747	S	91.1	Very high	91.5	Very high	50 Å²	50	40 Å²	40	35%	0.35	22%	0.22	S	C	.	.	S	Bend	trans	-128.5	151.4	-179.9	-175.8	0	0	0	0	112.6	F745 S749 D750	F745-S747 VanDerWaalsContact C-N 3.33Å; S747-S749 VanDerWaalsContact CB-OG 3.24Å; S747-S749 WeakPolarHBondContact CB-OG 3.37Å; S747-S749 PolarHBondContact O-N 3.14Å; S747-S749 PolarHBondContact OG-N 3.33Å; S747-S749 PolarHBondContact OG-OG 3.43Å; S747-D750 WeakPolarHBondContact O-CB 3.35Å; S747-D750 PolarHBondContact O-N 2.99Å
748	A	89.8	Confident	91.7	Very high	40 Å²	40	37 Å²	37	33%	0.331	20%	0.202	S	C	.	.	H	α-helix	trans	-66.1	-27.5	170.1	0	0	0	0	0	112.2	S681 D750 K751 Q752	S681-A748 WeakPolarHBondContact O-CB 3.1Å; A748-D750 PolarHBondContact O-N 3.12Å; A748-K751 WeakPolarHBondContact O-CB 3.44Å; A748-K751 PolarHBondContact O-N 3.19Å; A748-Q752 WeakPolarHBondContact O-CB 3.36Å; A748-Q752 PolarHBondContact O-N 2.93Å
749	S	90.7	Very high	91.7	Very high	51 Å²	51	40.3 Å²	40.3	36%	0.357	21%	0.209	S	C	.	.	H	α-helix	trans	-58.3	-29.4	171.8	56.3	0	0	0	0	112.9	S747 R753	S747-S749 VanDerWaalsContact CB-OG 3.24Å; S747-S749 WeakPolarHBondContact CB-OG 3.37Å; S747-S749 PolarHBondContact O-N 3.14Å; S747-S749 PolarHBondContact OG-N 3.33Å; S747-S749 PolarHBondContact OG-OG 3.43Å; S749-R753 WeakPolarHBondContact O-CB 3.48Å; S749-R753 VanDerWaalsContact O-CG 3.3Å; S749-R753 WeakPolarHBondContact O-CG 3.47Å; S749-R753 PolarHBondContact O-N 3.5Å; S749-R753 PolarHBondContact O-NE 3.25Å
750	D	91	Very high	91.6	Very high	10 Å²	10	43.6 Å²	43.6	5%	0.053	24%	0.241	C	C	.	.	H	α-helix	trans	-81.4	-42.4	-175.3	-64.2	16.1	0	0	0	109.4	L719 E720 F745 S747 A748 Q752 R753 V754	L719-D750 HydrophobicContact CD2-CB 3.9Å; E720-D750 PolarHBondContact N-OD2 3.42Å; F745-D750 HydrophobicContact CB-CB 3.81Å; F745-D750 HydrophobicContact CD1-CB 3.82Å; F745-D750 HydrophobicContact CG-CB 3.97Å; S747-D750 WeakPolarHBondContact O-CB 3.35Å; S747-D750 PolarHBondContact O-N 2.99Å; A748-D750 PolarHBondContact O-N 3.12Å; D750-Q752 VanDerWaalsContact C-N 3.33Å; D750-Q752 PolarHBondContact O-N 2.93Å; D750-R753 VanDerWaalsContact CG-NH2 3.35Å; D750-R753 PolarHBondContact O-N 3.42Å; D750-R753 IonicContact OD1-CZ 2.7Å; D750-R753 IonicContact OD1-NE 2.79Å; D750-R753 IonicContact OD1-NH2 3.4Å; D750-R753 PolarHBondContact OD1-NH2 2.97Å; D750-R753 IonicContact OD2-NH2 3.47Å; D750-V754 WeakPolarHBondContact O-CG2 3.43Å; D750-V754 PolarHBondContact O-N 2.83Å
751	K	91	Very high	91.3	Very high	14 Å²	14	45.4 Å²	45.4	6%	0.061	25%	0.248	C	C	.	.	H	α-helix	trans	-50.5	-53.8	164	169.3	-147.8	163.1	-146.4	0	110	E396 S681 I684 F745 A748 R753 V754 L755	E396-K751 IonicContact OE1-NZ 2.87Å; E396-K751 PolarHBondContact OE1-NZ 2.63Å; E396-K751 IonicContact OE2-NZ 3.78Å; E396-K751 PolarHBondContact OE2-NZ 2.91Å; S681-K751 WeakPolarHBondContact O-CD 3.39Å; I684-K751 HydrophobicContact CD1-CB 4.49Å; I684-K751 HydrophobicContact CD1-CG 4.27Å; I684-K751 HydrophobicContact CG1-CB 4.25Å; I684-K751 HydrophobicContact CG1-CG 3.8Å; F745-K751 HydrophobicContact CD2-CB 4.47Å; A748-K751 WeakPolarHBondContact O-CB 3.44Å; A748-K751 PolarHBondContact O-N 3.19Å; K751-R753 PolarHBondContact O-N 3.44Å; K751-V754 PolarHBondContact O-N 3.25Å; K751-L755 HydrophobicContact CD-CD1 4.3Å; K751-L755 HydrophobicContact CG-CD1 3.85Å; K751-L755 HydrophobicContact CG-CG 4.36Å; K751-L755 WeakPolarHBondContact O-CB 3.44Å; K751-L755 WeakPolarHBondContact O-CG 3.35Å; K751-L755 PolarHBondContact O-N 2.87Å
752	Q	90.8	Very high	90.6	Very high	77 Å²	77	55 Å²	55	36%	0.36	29%	0.292	S	S	.	.	H	α-helix	trans	-66.6	-38.6	-172.5	-160.7	-178.4	11	0	0	112.3	A748 D750 K756	A748-Q752 WeakPolarHBondContact O-CB 3.36Å; A748-Q752 PolarHBondContact O-N 2.93Å; D750-Q752 VanDerWaalsContact C-N 3.33Å; D750-Q752 PolarHBondContact O-N 2.93Å; Q752-K756 VanDerWaalsContact O-CB 3.28Å; Q752-K756 WeakPolarHBondContact O-CB 3.38Å; Q752-K756 PolarHBondContact O-N 3.44Å
753	R	90.7	Very high	90.4	Very high	80 Å²	80	57.8 Å²	57.8	30%	0.302	31%	0.305	S	S	.	.	H	α-helix	trans	-60.8	-49.4	171.7	-78.4	-175.5	-69	172.5	-0.5	112.1	L714 S749 D750 K751 K756 A757	L714-R753 HydrophobicContact CD2-CB 4.28Å; S749-R753 WeakPolarHBondContact O-CB 3.48Å; S749-R753 VanDerWaalsContact O-CG 3.3Å; S749-R753 WeakPolarHBondContact O-CG 3.47Å; S749-R753 PolarHBondContact O-N 3.5Å; S749-R753 PolarHBondContact O-NE 3.25Å; D750-R753 VanDerWaalsContact CG-NH2 3.35Å; D750-R753 PolarHBondContact O-N 3.42Å; D750-R753 IonicContact OD1-CZ 2.7Å; D750-R753 IonicContact OD1-NE 2.79Å; D750-R753 IonicContact OD1-NH2 3.4Å; D750-R753 PolarHBondContact OD1-NH2 2.97Å; D750-R753 IonicContact OD2-NH2 3.47Å; K751-R753 PolarHBondContact O-N 3.44Å; R753-K756 PolarHBondContact O-N 3.22Å; R753-A757 PolarHBondContact O-N 3.23Å
754	V	91.6	Very high	90.4	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.024	31%	0.308	C	S	.	.	H	α-helix	trans	-62.9	-43	178.6	173.1	0	0	0	0	111.2	I684 F711 L714 L719 F745 D750 K751 S758 L773	I684-V754 HydrophobicContact CD1-CB 3.8Å; I684-V754 HydrophobicContact CD1-CG1 3.59Å; F711-V754 HydrophobicContact CE2-CG1 4.27Å; L714-V754 HydrophobicContact CD1-CG2 3.87Å; L719-V754 HydrophobicContact CD1-CG2 3.91Å; L719-V754 HydrophobicContact CD2-CG2 4.37Å; F745-V754 HydrophobicContact CE1-CG2 4.26Å; F745-V754 HydrophobicContact CZ-CG2 4.11Å; D750-V754 WeakPolarHBondContact O-CG2 3.43Å; D750-V754 PolarHBondContact O-N 2.83Å; K751-V754 PolarHBondContact O-N 3.25Å; V754-S758 WeakPolarHBondContact O-CB 3.46Å; V754-S758 PolarHBondContact O-N 3.24Å; V754-L773 HydrophobicContact CG1-CD1 4.14Å
755	L	91.5	Very high	90.3	Very high	6 Å²	6	55.7 Å²	55.7	3%	0.031	30%	0.299	C	S	.	.	H	α-helix	trans	-68	-33.1	176	-69	-179.8	0	0	0	112.9	I684 K751 S758 R759 L773 A775	I684-L755 HydrophobicContact CD1-CD2 3.93Å; I684-L755 HydrophobicContact CD1-CG 3.85Å; I684-L755 HydrophobicContact CG1-CD2 4.27Å; I684-L755 HydrophobicContact CG1-CG 4.26Å; K751-L755 HydrophobicContact CD-CD1 4.3Å; K751-L755 HydrophobicContact CG-CD1 3.85Å; K751-L755 HydrophobicContact CG-CG 4.36Å; K751-L755 WeakPolarHBondContact O-CB 3.44Å; K751-L755 WeakPolarHBondContact O-CG 3.35Å; K751-L755 PolarHBondContact O-N 2.87Å; L755-S758 WeakPolarHBondContact O-CB 3.39Å; L755-S758 PolarHBondContact O-N 3.49Å; L755-R759 VanDerWaalsContact O-CG 3.26Å; L755-R759 WeakPolarHBondContact O-CG 3.49Å; L755-R759 PolarHBondContact O-N 2.95Å; L755-R759 VanDerWaalsContact O-N 3.07Å; L755-L773 HydrophobicContact CD2-CB 4.4Å; L755-A775 HydrophobicContact CD1-CB 4.2Å
756	K	91.3	Very high	90.2	Very high	160 Å²	160	55.7 Å²	55.7	70%	0.696	30%	0.298	S	S	*	.	H	α-helix	trans	-67.1	-47	175.1	-175.5	166.6	-178.5	169.1	0	111.5	Q752 R753 S758 R759 A760	Q752-K756 VanDerWaalsContact O-CB 3.28Å; Q752-K756 WeakPolarHBondContact O-CB 3.38Å; Q752-K756 PolarHBondContact O-N 3.44Å; R753-K756 PolarHBondContact O-N 3.22Å; K756-S758 VanDerWaalsContact C-N 3.32Å; K756-S758 PolarHBondContact O-N 3.06Å; K756-R759 PolarHBondContact O-N 2.83Å; K756-A760 PolarHBondContact O-N 2.87Å
757	A	90.8	Very high	90.1	Very high	14 Å²	14	59.6 Å²	59.6	12%	0.116	30%	0.301	C	S	.	.	H	α-helix	trans	-61.9	-40.6	173.4	0	0	0	0	0	111.8	F711 L714 R753 R759 A760 K761	F711-A757 HydrophobicContact CD1-CB 3.59Å; F711-A757 HydrophobicContact CE1-CB 3.93Å; F711-A757 HydrophobicContact CG-CB 4.15Å; L714-A757 HydrophobicContact CD1-CB 4.15Å; R753-A757 PolarHBondContact O-N 3.23Å; A757-R759 PolarHBondContact O-N 3.42Å; A757-A760 PolarHBondContact O-N 3.05Å; A757-K761 PolarHBondContact O-N 3.49Å
758	S	91.3	Very high	89.8	Confident	14 Å²	14	60 Å²	60	10%	0.098	31%	0.314	C	S	.	.	H	α-helix	trans	-60.5	-25.4	174.5	178.3	0	0	0	0	114.8	V754 L755 K756 I764	V754-S758 WeakPolarHBondContact O-CB 3.46Å; V754-S758 PolarHBondContact O-N 3.24Å; L755-S758 WeakPolarHBondContact O-CB 3.39Å; L755-S758 PolarHBondContact O-N 3.49Å; K756-S758 VanDerWaalsContact C-N 3.32Å; K756-S758 PolarHBondContact O-N 3.06Å; S758-I764 WeakPolarHBondContact OG-CD1 3.49Å
759	R	88.9	Confident	89.9	Confident	115 Å²	115	61 Å²	61	43%	0.434	32%	0.318	S	S	.	.	H	α-helix	trans	-95.5	-27	177.2	-67.4	169.2	-163.8	161.2	0.4	112.3	E394 L755 K756 A757 K761	E394-R759 VanDerWaalsContact CB-NH2 3.26Å; E394-R759 PolarHBondContact O-NH1 3.37Å; E394-R759 IonicContact OE2-CZ 3.08Å; E394-R759 IonicContact OE2-NE 2.73Å; E394-R759 IonicContact OE2-NH2 2.63Å; E394-R759 PolarHBondContact OE2-NH2 3.2Å; L755-R759 VanDerWaalsContact O-CG 3.26Å; L755-R759 WeakPolarHBondContact O-CG 3.49Å; L755-R759 PolarHBondContact O-N 2.95Å; L755-R759 VanDerWaalsContact O-N 3.07Å; K756-R759 PolarHBondContact O-N 2.83Å; A757-R759 PolarHBondContact O-N 3.42Å; R759-K761 VanDerWaalsContact C-N 3.33Å
760	A	88.6	Confident	90	Very high	91 Å²	91	65.4 Å²	65.4	75%	0.752	33%	0.331	S	S	*	.	H	α-helix	trans	-71.9	-28.2	172.8	0	0	0	0	0	112.3	K756 A757	K756-A760 PolarHBondContact O-N 2.87Å; A757-A760 PolarHBondContact O-N 3.05Å
761	K	87.4	Confident	90.1	Very high	76 Å²	76	65.7 Å²	65.7	33%	0.33	33%	0.332	S	S	.	.	S	Bend	trans	-88.9	125.4	175.1	-160.6	-178.4	179.8	-175.6	0	110.9	N710 F711 A757 R759 E763	N710-K761 HydrophobicContact CB-CD 4.36Å; N710-K761 PolarHBondContact OD1-NZ 3.32Å; F711-K761 HydrophobicContact CE1-CD 4.49Å; A757-K761 PolarHBondContact O-N 3.49Å; R759-K761 VanDerWaalsContact C-N 3.33Å; K761-E763 VanDerWaalsContact C-N 3.33Å; K761-E763 WeakPolarHBondContact CD-O 3.43Å; K761-E763 WeakPolarHBondContact CE-O 3.43Å; K761-E763 VanDerWaalsContact CG-O 3.32Å; K761-E763 WeakPolarHBondContact CG-O 3.4Å; K761-E763 PolarHBondContact O-N 3.29Å
762	Q	78.7	Confident	90.3	Very high	201 Å²	201	70.3 Å²	70.3	94%	0.939	35%	0.349	S	S	*	.	S	Bend	trans	-67.4	-29.1	-177.6	-172.4	176.2	5	0	0	113.9
763	E	90.2	Very high	90.4	Very high	84 Å²	84	67.5 Å²	67.5	39%	0.393	34%	0.336	S	S	.	.			trans	-141.4	140.2	178.1	-175.3	165.2	149	0	0	111.1	K761 T765 K770	K761-E763 VanDerWaalsContact C-N 3.33Å; K761-E763 WeakPolarHBondContact CD-O 3.43Å; K761-E763 WeakPolarHBondContact CE-O 3.43Å; K761-E763 VanDerWaalsContact CG-O 3.32Å; K761-E763 WeakPolarHBondContact CG-O 3.4Å; K761-E763 PolarHBondContact O-N 3.29Å; E763-T765 HydrophobicContact CG-CG2 4.25Å; E763-K770 VanDerWaalsContact CD-CE 3.46Å; E763-K770 VanDerWaalsContact CD-NZ 3.27Å; E763-K770 HydrophobicContact CG-CD 4.3Å; E763-K770 VanDerWaalsContact OE1-CD 3.26Å; E763-K770 WeakPolarHBondContact OE1-CD 3.4Å; E763-K770 WeakPolarHBondContact OE1-CE 3.09Å; E763-K770 WeakPolarHBondContact OE1-CG 3.33Å; E763-K770 IonicContact OE1-NZ 3.91Å; E763-K770 PolarHBondContact OE1-NZ 3.29Å; E763-K770 WeakPolarHBondContact OE2-CE 3.35Å; E763-K770 IonicContact OE2-NZ 3.28Å; E763-K770 PolarHBondContact OE2-NZ 2.86Å
764	I	93.7	Very high	90.5	Very high	14 Å²	14	65.5 Å²	65.5	7%	0.072	33%	0.333	C	S	.	.			trans	-121.3	124.8	-179.1	-46.5	172.2	0	0	0	107.7	N710 F711 S758 I771 L773	N710-I764 HydrophobicContact CB-CG2 4.24Å; N710-I764 WeakPolarHBondContact OD1-CA 3.46Å; N710-I764 WeakPolarHBondContact OD1-CG2 3.34Å; F711-I764 HydrophobicContact CZ-CD1 4.46Å; F711-I764 HydrophobicContact CZ-CG2 4.35Å; S758-I764 WeakPolarHBondContact OG-CD1 3.49Å; I764-I771 HydrophobicContact CB-CG1 4.19Å; I764-I771 HydrophobicContact CG2-CD1 3.89Å; I764-I771 HydrophobicContact CG2-CG1 3.79Å; I764-I771 WeakPolarHBondContact O-CG1 3.35Å; I764-I771 PolarHBondContact O-N 3.19Å; I764-L773 HydrophobicContact CD1-CD1 4.09Å; I764-L773 HydrophobicContact CD1-CG 4.09Å; I764-L773 HydrophobicContact CG2-CD1 4.46Å
765	T	93.4	Very high	90.5	Very high	27 Å²	27	65.8 Å²	65.8	17%	0.166	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	156.3	-175.5	54.9	0	0	0	0	112	E709 N710 E763 S769	E709-T765 VanDerWaalsContact OE1-C 3.3Å; E709-T765 WeakPolarHBondContact OE1-CB 3.5Å; E709-T765 PolarHBondContact OE1-OG1 3.42Å; N710-T765 PolarHBondContact ND2-O 2.96Å; N710-T765 PolarHBondContact OD1-N 3Å; N710-T765 VanDerWaalsContact OD1-N 3.08Å; E763-T765 HydrophobicContact CG-CG2 4.25Å; T765-S769 CarbonylContact C-O 3.49Å; T765-S769 WeakPolarHBondContact CA-O 3.3Å
766	Y	91.2	Very high	90.6	Very high	3 Å²	3	65.8 Å²	65.8	1%	0.012	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	108.9	165	178.6	-110.7	0	0	0	108.5	I689 E693 I702 E705 V706 E709 G768 S769	I689-Y766 HydrophobicContact CG2-CD1 4.12Å; I689-Y766 HydrophobicContact CG2-CE1 4.15Å; E693-Y766 HydrophobicContact CG-CE1 4.12Å; E693-Y766 WeakPolarHBondContact CG-OH 3.44Å; I702-Y766 HydrophobicContact CG2-CE1 4.3Å; I702-Y766 HydrophobicContact CG2-CE2 3.89Å; E705-Y766 HydrophobicContact CB-CE2 4.03Å; E705-Y766 HydrophobicContact CG-CD2 4.47Å; E705-Y766 HydrophobicContact CG-CE2 3.71Å; E705-Y766 VanDerWaalsContact OE2-CE2 3.25Å; E705-Y766 WeakPolarHBondContact OE2-CE2 3.43Å; E705-Y766 PolarHBondContact OE2-OH 2.84Å; V706-Y766 HydrophobicContact CG2-CD2 3.43Å; V706-Y766 VanDerWaalsContact CG2-CD2 3.43Å; V706-Y766 HydrophobicContact CG2-CE2 4.21Å; V706-Y766 HydrophobicContact CG2-CG 4.03Å; E709-Y766 WeakPolarHBondContact OE2-CA 3.3Å; Y766-G768 PolarHBondContact O-N 2.91Å; Y766-S769 PolarHBondContact N-O 3.28Å; Y766-S769 VanDerWaalsContact O-CB 3.32Å; Y766-S769 WeakPolarHBondContact O-CB 3.46Å; Y766-S769 PolarHBondContact O-N 2.68Å
767	R	88.5	Confident	90.6	Very high	120 Å²	120	59 Å²	59	45%	0.453	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.6	43.8	-167.9	-56.8	-171.3	-177	152.2	15.4	112.1	E693 N697 E705 E709 S769	E693-R767 IonicContact OE1-CZ 3.26Å; E693-R767 IonicContact OE1-NH1 2.69Å; E693-R767 PolarHBondContact OE1-NH1 3.43Å; E693-R767 IonicContact OE1-NH2 2.71Å; E693-R767 PolarHBondContact OE1-NH2 3.26Å; E693-R767 IonicContact OE2-CZ 3.15Å; E693-R767 IonicContact OE2-NH1 2.72Å; E693-R767 PolarHBondContact OE2-NH1 3.33Å; N697-R767 PolarHBondContact ND2-NH2 3.4Å; N697-R767 VanDerWaalsContact ND2-NH2 3.18Å; E705-R767 IonicContact OE1-CZ 3.71Å; E705-R767 VanDerWaalsContact OE1-CZ 3.26Å; E705-R767 IonicContact OE1-NE 3.71Å; E705-R767 PolarHBondContact OE1-NE 2.96Å; E705-R767 IonicContact OE1-NH2 2.75Å; E705-R767 PolarHBondContact OE1-NH2 3.26Å; E705-R767 IonicContact OE2-CZ 2.75Å; E705-R767 IonicContact OE2-NE 3.88Å; E705-R767 IonicContact OE2-NH2 3.13Å; E705-R767 PolarHBondContact OE2-NH2 3.01Å; E709-R767 PolarHBondContact OE1-N 3.27Å; E709-R767 PolarHBondContact OE2-N 2.99Å; R767-S769 PolarHBondContact O-N 2.89Å
768	G	85.8	Confident	90.6	Very high	59 Å²	59	58.4 Å²	58.4	61%	0.608	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	2.9	-176.8	0	0	0	0	0	116.1	E709 Y766	E709-G768 PolarHBondContact OE1-N 3.22Å; Y766-G768 PolarHBondContact O-N 2.91Å
769	S	90.1	Very high	90.5	Very high	60 Å²	60	61 Å²	61	42%	0.42	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	129.9	168.7	-56.7	0	0	0	0	109.9	T765 Y766 R767 I771	T765-S769 CarbonylContact C-O 3.49Å; T765-S769 WeakPolarHBondContact CA-O 3.3Å; Y766-S769 PolarHBondContact N-O 3.28Å; Y766-S769 VanDerWaalsContact O-CB 3.32Å; Y766-S769 WeakPolarHBondContact O-CB 3.46Å; Y766-S769 PolarHBondContact O-N 2.68Å; R767-S769 PolarHBondContact O-N 2.89Å; S769-I771 PolarHBondContact O-N 3.09Å
770	K	93.3	Very high	90.5	Very high	145 Å²	145	56.7 Å²	56.7	63%	0.63	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	135.4	178.9	-50.2	-157.8	-174.9	-155.7	0	111.1	E763	E763-K770 VanDerWaalsContact CD-CE 3.46Å; E763-K770 VanDerWaalsContact CD-NZ 3.27Å; E763-K770 HydrophobicContact CG-CD 4.3Å; E763-K770 VanDerWaalsContact OE1-CD 3.26Å; E763-K770 WeakPolarHBondContact OE1-CD 3.4Å; E763-K770 WeakPolarHBondContact OE1-CE 3.09Å; E763-K770 WeakPolarHBondContact OE1-CG 3.33Å; E763-K770 IonicContact OE1-NZ 3.91Å; E763-K770 PolarHBondContact OE1-NZ 3.29Å; E763-K770 WeakPolarHBondContact OE2-CE 3.35Å; E763-K770 IonicContact OE2-NZ 3.28Å; E763-K770 PolarHBondContact OE2-NZ 2.86Å
771	I	94.1	Very high	90.5	Very high	15 Å²	15	52.4 Å²	52.4	8%	0.077	28%	0.275	C	S	.	.			trans	-132.5	160.8	177.2	58.2	158.5	0	0	0	111	V686 I687 I689 V706 I764 S769	V686-I771 HydrophobicContact CG1-CD1 4.32Å; I687-I771 WeakPolarHBondContact O-CA 3.44Å; I687-I771 WeakPolarHBondContact O-CB 3.39Å; I689-I771 HydrophobicContact CG1-CG2 3.89Å; V706-I771 HydrophobicContact CB-CD1 4.39Å; V706-I771 HydrophobicContact CG1-CD1 3.69Å; V706-I771 HydrophobicContact CG2-CD1 3.69Å; I764-I771 HydrophobicContact CB-CG1 4.19Å; I764-I771 HydrophobicContact CG2-CD1 3.89Å; I764-I771 HydrophobicContact CG2-CG1 3.79Å; I764-I771 WeakPolarHBondContact O-CG1 3.35Å; I764-I771 PolarHBondContact O-N 3.19Å; S769-I771 PolarHBondContact O-N 3.09Å
772	R	93.5	Very high	90.7	Very high	112 Å²	112	53 Å²	53	42%	0.423	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	133.2	177.4	-165.8	162.9	74	-153.3	15	111.4	E389 V686 I687 T774	E389-R772 VanDerWaalsContact CD-NH2 3.29Å; E389-R772 IonicContact OE1-NH2 3.62Å; E389-R772 PolarHBondContact OE1-NH2 3.07Å; E389-R772 VanDerWaalsContact OE1-NH2 3.15Å; E389-R772 IonicContact OE2-CZ 2.83Å; E389-R772 IonicContact OE2-NH1 3.28Å; E389-R772 PolarHBondContact OE2-NH1 2.94Å; E389-R772 IonicContact OE2-NH2 3.66Å; E389-R772 PolarHBondContact OE2-NH2 2.88Å; V686-R772 WeakPolarHBondContact CA-O 3.25Å; I687-R772 HydrophobicContact CB-CB 4.35Å; I687-R772 PolarHBondContact N-O 3.46Å; I687-R772 PolarHBondContact O-N 3.03Å; R772-T774 HydrophobicContact CG-CG2 4.11Å
773	L	94	Very high	91.2	Very high	17 Å²	17	47.9 Å²	47.9	9%	0.089	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.3	172.1	-53.7	177.6	0	0	0	108.3	I684 V686 F711 V754 L755 I764	I684-L773 HydrophobicContact CG2-CB 4.28Å; I684-L773 HydrophobicContact CG2-CD2 4.4Å; V686-L773 HydrophobicContact CB-CD2 4.02Å; V686-L773 HydrophobicContact CG1-CD2 3.65Å; V686-L773 HydrophobicContact CG2-CD2 3.43Å; V686-L773 VanDerWaalsContact CG2-CD2 3.43Å; F711-L773 HydrophobicContact CE2-CD1 3.74Å; F711-L773 HydrophobicContact CZ-CD1 3.77Å; V754-L773 HydrophobicContact CG1-CD1 4.14Å; L755-L773 HydrophobicContact CD2-CB 4.4Å; I764-L773 HydrophobicContact CD1-CD1 4.09Å; I764-L773 HydrophobicContact CD1-CG 4.09Å; I764-L773 HydrophobicContact CG2-CD1 4.46Å
774	T	92.1	Very high	91.1	Very high	39 Å²	39	44.8 Å²	44.8	24%	0.239	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	159.3	175.2	75.3	0	0	0	0	110.5	I684 R685 I687 R772	I684-T774 WeakPolarHBondContact CG2-O 3.5Å; R685-T774 PolarHBondContact N-O 3.26Å; R685-T774 PolarHBondContact O-N 2.65Å; I687-T774 HydrophobicContact CD1-CG2 4.2Å; R772-T774 HydrophobicContact CG-CG2 4.11Å
775	A	92.2	Very high	90.9	Very high	9 Å²	9	44.6 Å²	44.6	7%	0.074	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	147.2	162.3	0	0	0	0	0	110.4	L755 L777	L755-A775 HydrophobicContact CD1-CB 4.2Å; A775-L777 HydrophobicContact CB-CD2 4.26Å; A775-L777 HydrophobicContact CB-CG 4.05Å; A775-L777 PolarHBondContact O-N 3.48Å
776	D	92.6	Very high	90.8	Very high	6 Å²	6	46.5 Å²	46.5	3%	0.032	26%	0.261	C	S	.	.			trans	-94.1	86	167.4	-179.9	68.4	0	0	0	108.1	R680 N683 R685 L742	R680-D776 WeakPolarHBondContact CB-O 3.41Å; R680-D776 WeakPolarHBondContact CD-O 3.46Å; R680-D776 IonicContact CZ-OD2 2.59Å; R680-D776 IonicContact NH1-OD1 3.46Å; R680-D776 PolarHBondContact NH1-OD1 2.94Å; R680-D776 IonicContact NH1-OD2 2.91Å; R680-D776 PolarHBondContact NH1-OD2 2.8Å; N683-D776 HydrophobicContact CB-CB 3.7Å; N683-D776 PolarHBondContact ND2-OD2 3.13Å; N683-D776 VanDerWaalsContact ND2-OD2 3.12Å; R685-D776 HydrophobicContact CB-CB 4.28Å; R685-D776 IonicContact CZ-OD1 2.84Å; R685-D776 IonicContact NE-OD1 2.84Å; R685-D776 PolarHBondContact NE-OD1 2.63Å; R685-D776 IonicContact NH2-OD1 2.68Å; R685-D776 PolarHBondContact NH2-OD1 2.85Å; L742-D776 HydrophobicContact CD1-CB 3.75Å; L742-D776 VanDerWaalsContact CD1-CG 3.44Å
777	L	91.3	Very high	90.7	Very high	18 Å²	18	51.8 Å²	51.8	9%	0.094	29%	0.286	C	S	.	.			trans	-82.5	160.9	177.2	-62.4	172.2	0	0	0	111.1	A775 T781 I782 R785	A775-L777 HydrophobicContact CB-CD2 4.26Å; A775-L777 HydrophobicContact CB-CG 4.05Å; A775-L777 PolarHBondContact O-N 3.48Å; L777-T781 HydrophobicContact CB-CG2 4.49Å; L777-T781 HydrophobicContact CD1-CG2 4.25Å; L777-I782 HydrophobicContact CB-CD1 4.24Å; L777-I782 HydrophobicContact CB-CG1 3.82Å; L777-R785 VanDerWaalsContact CD1-CZ 3.48Å
778	S	91.1	Very high	90.9	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.007	27%	0.266	C	S	.	.			trans	-66.5	151.8	170.6	64.5	0	0	0	0	111.2	E676 D677 G780 T781 I782	E676-S778 VanDerWaalsContact CD-CB 3.43Å; D677-S778 WeakPolarHBondContact OD1-CA 3.23Å; D677-S778 WeakPolarHBondContact OD1-CB 3.4Å; D677-S778 PolarHBondContact OD1-N 2.9Å; D677-S778 PolarHBondContact OD1-OG 2.77Å; S778-G780 VanDerWaalsContact C-N 3.26Å; S778-G780 PolarHBondContact O-N 3.32Å; S778-T781 PolarHBondContact O-N 3.35Å; S778-T781 VanDerWaalsContact O-N 3.08Å; S778-T781 PolarHBondContact OG-N 2.98Å; S778-T781 PolarHBondContact OG-OG1 3.06Å; S778-I782 WeakPolarHBondContact O-CG1 3.48Å; S778-I782 PolarHBondContact O-N 3.37Å
779	P	89.2	Confident	91	Very high	68 Å²	68	45.8 Å²	45.8	44%	0.442	25%	0.252	S	S	.	.	H	α-helix	trans	-55.2	-42.1	177.9	-25.3	34.7	0	0	0	112.1	E676 T781 I782 D783	E676-P779 WeakPolarHBondContact OE1-CD 3.5Å; P779-T781 VanDerWaalsContact C-N 3.28Å; P779-T781 PolarHBondContact O-N 3.38Å; P779-I782 PolarHBondContact O-N 3.06Å; P779-D783 WeakPolarHBondContact O-CB 3.37Å; P779-D783 PolarHBondContact O-N 2.94Å
780	G	89.3	Confident	91	Very high	26 Å²	26	45.1 Å²	45.1	27%	0.268	25%	0.254	S	S	.	.	H	α-helix	trans	-64.6	-27.4	179.5	0	0	0	0	0	114.5	R673 S778 A784	R673-G780 VanDerWaalsContact CD-C 3.44Å; R673-G780 VanDerWaalsContact CD-O 3.3Å; R673-G780 WeakPolarHBondContact CD-O 3.21Å; S778-G780 VanDerWaalsContact C-N 3.26Å; S778-G780 PolarHBondContact O-N 3.32Å; G780-A784 WeakPolarHBondContact O-CB 3.48Å; G780-A784 PolarHBondContact O-N 2.97Å
781	T	89.8	Confident	90.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-81.6	-37.1	174	-61.5	0	0	0	0	111.1	D677 L777 S778 P779 A784 R785 P807	D677-T781 WeakPolarHBondContact OD2-CB 3.33Å; D677-T781 PolarHBondContact OD2-OG1 2.96Å; L777-T781 HydrophobicContact CB-CG2 4.49Å; L777-T781 HydrophobicContact CD1-CG2 4.25Å; S778-T781 PolarHBondContact O-N 3.35Å; S778-T781 VanDerWaalsContact O-N 3.08Å; S778-T781 PolarHBondContact OG-N 2.98Å; S778-T781 PolarHBondContact OG-OG1 3.06Å; P779-T781 VanDerWaalsContact C-N 3.28Å; P779-T781 PolarHBondContact O-N 3.38Å; T781-A784 PolarHBondContact O-N 3.21Å; T781-R785 WeakPolarHBondContact O-CG 3.24Å; T781-R785 PolarHBondContact O-N 2.87Å; T781-P807 HydrophobicContact CG2-CB 4.03Å; T781-P807 WeakPolarHBondContact CG2-O 3.29Å
782	I	89.8	Confident	90.6	Very high	88 Å²	88	38.6 Å²	38.6	45%	0.451	23%	0.226	S	C	.	.	H	α-helix	trans	-63.3	-46.2	172.4	-63.4	169.1	0	0	0	110.6	L777 S778 P779 A784 R785 S786	L777-I782 HydrophobicContact CB-CD1 4.24Å; L777-I782 HydrophobicContact CB-CG1 3.82Å; S778-I782 WeakPolarHBondContact O-CG1 3.48Å; S778-I782 PolarHBondContact O-N 3.37Å; P779-I782 PolarHBondContact O-N 3.06Å; I782-A784 VanDerWaalsContact C-N 3.29Å; I782-A784 PolarHBondContact O-N 2.79Å; I782-R785 PolarHBondContact O-N 2.84Å; I782-R785 VanDerWaalsContact O-N 3.17Å; I782-S786 PolarHBondContact O-N 3.27Å
783	D	89.8	Confident	90.5	Very high	95 Å²	95	39 Å²	39	51%	0.508	23%	0.231	S	C	.	.	H	α-helix	trans	-62.7	-34.3	176.9	-67.5	-20	0	0	0	112	P779 S786 Q787	P779-D783 WeakPolarHBondContact O-CB 3.37Å; P779-D783 PolarHBondContact O-N 2.94Å; D783-S786 PolarHBondContact O-OG 3.42Å; D783-Q787 WeakPolarHBondContact O-CG 3.38Å; D783-Q787 PolarHBondContact O-NE2 3.27Å
784	A	88.3	Confident	90.3	Very high	18 Å²	18	39.7 Å²	39.7	15%	0.149	23%	0.234	C	C	.	.	H	α-helix	trans	-71.2	-37.6	174.3	0	0	0	0	0	112.1	G780 T781 I782 A808	G780-A784 WeakPolarHBondContact O-CB 3.48Å; G780-A784 PolarHBondContact O-N 2.97Å; T781-A784 PolarHBondContact O-N 3.21Å; I782-A784 VanDerWaalsContact C-N 3.29Å; I782-A784 PolarHBondContact O-N 2.79Å; A784-A808 HydrophobicContact CB-CB 3.57Å
785	R	90.7	Very high	90.2	Very high	11 Å²	11	37.8 Å²	37.8	4%	0.042	22%	0.223	C	C	.	.	H	α-helix	trans	-70	-39.6	175.9	-72	-176.9	176.8	-161	6	113.3	E394 L777 T781 I782 Q787 W788 I804 P807 A808	E394-R785 IonicContact OE1-CZ 3.45Å; E394-R785 IonicContact OE1-NH1 3.57Å; E394-R785 PolarHBondContact OE1-NH1 3.31Å; E394-R785 IonicContact OE1-NH2 2.7Å; L777-R785 VanDerWaalsContact CD1-CZ 3.48Å; T781-R785 WeakPolarHBondContact O-CG 3.24Å; T781-R785 PolarHBondContact O-N 2.87Å; I782-R785 PolarHBondContact O-N 2.84Å; I782-R785 VanDerWaalsContact O-N 3.17Å; R785-Q787 PolarHBondContact O-N 3.39Å; R785-Q787 VanDerWaalsContact O-N 3.15Å; R785-W788 WeakPolarHBondContact O-CA 3.25Å; R785-W788 WeakPolarHBondContact O-CB 3.46Å; R785-W788 PolarHBondContact O-N 2.9Å; R785-I804 HydrophobicContact CB-CD1 4.35Å; R785-I804 HydrophobicContact CG-CD1 4.41Å; R785-I804 HydrophobicContact CG-CG2 3.87Å; R785-P807 PolarHBondContact NE-O 2.97Å; R785-P807 PolarHBondContact NH2-O 3.44Å; R785-P807 VanDerWaalsContact NH2-O 3.12Å; R785-A808 HydrophobicContact CG-CB 3.67Å
786	S	90.3	Very high	90.1	Very high	67 Å²	67	41.2 Å²	41.2	47%	0.469	24%	0.237	S	C	.	.	H	α-helix	trans	-60.2	-27.5	-178.5	68.5	0	0	0	0	113.2	I782 D783 W788 C789	I782-S786 PolarHBondContact O-N 3.27Å; D783-S786 PolarHBondContact O-OG 3.42Å; S786-W788 VanDerWaalsContact C-N 3.29Å; S786-W788 PolarHBondContact O-N 3.44Å; S786-C789 WeakPolarHBondContact O-CB 3.5Å; S786-C789 PolarHBondContact O-N 2.92Å
787	Q	90.1	Very high	90	Very high	114 Å²	114	46.8 Å²	46.8	53%	0.533	27%	0.267	S	S	.	.	H	α-helix	trans	-66	-29.7	173.6	-64	167	54.7	0	0	112.5	D783 R785 I824	D783-Q787 WeakPolarHBondContact O-CG 3.38Å; D783-Q787 PolarHBondContact O-NE2 3.27Å; R785-Q787 PolarHBondContact O-N 3.39Å; R785-Q787 VanDerWaalsContact O-N 3.15Å; Q787-I824 HydrophobicContact CB-CD1 3.64Å; Q787-I824 WeakPolarHBondContact O-CD1 3.3Å
788	W	91	Very high	89.9	Confident	6 Å²	6	50.3 Å²	50.3	2%	0.023	28%	0.281	C	S	.	.	H	α-helix	trans	-78.8	-20.7	175	-65.1	115.8	0	0	0	113.4	R785 S786 G790 I791 I792 A808 L810 F821 D823 I824 F827	R785-W788 WeakPolarHBondContact O-CA 3.25Å; R785-W788 WeakPolarHBondContact O-CB 3.46Å; R785-W788 PolarHBondContact O-N 2.9Å; S786-W788 VanDerWaalsContact C-N 3.29Å; S786-W788 PolarHBondContact O-N 3.44Å; W788-G790 VanDerWaalsContact C-N 3.31Å; W788-G790 PolarHBondContact O-N 2.92Å; W788-I791 HydrophobicContact CE3-CB 4.39Å; W788-I791 HydrophobicContact CE3-CD1 3.69Å; W788-I791 HydrophobicContact CE3-CG2 4.23Å; W788-I791 HydrophobicContact CZ3-CD1 3.93Å; W788-I791 CarbonylContact O-C 3.37Å; W788-I791 WeakPolarHBondContact O-CA 3.35Å; W788-I791 WeakPolarHBondContact O-CB 3.49Å; W788-I791 PolarHBondContact O-N 3.25Å; W788-I792 HydrophobicContact CB-CD1 3.84Å; W788-I792 HydrophobicContact CB-CG1 4.36Å; W788-I792 WeakPolarHBondContact O-CG1 3.16Å; W788-I792 PolarHBondContact O-N 3.02Å; W788-A808 PolarHBondContact NE1-O 3.5Å; W788-L810 HydrophobicContact CD2-CB 3.72Å; W788-L810 HydrophobicContact CD2-CD2 4.46Å; W788-L810 HydrophobicContact CE3-CB 3.64Å; W788-L810 HydrophobicContact CE3-CD2 3.59Å; W788-L810 HydrophobicContact CE3-CG 4.17Å; W788-L810 HydrophobicContact CG-CB 4.4Å; W788-L810 HydrophobicContact CH2-CB 3.82Å; W788-L810 HydrophobicContact CH2-CD2 4.34Å; W788-L810 HydrophobicContact CZ2-CB 3.91Å; W788-L810 HydrophobicContact CZ3-CB 3.69Å; W788-L810 HydrophobicContact CZ3-CD2 3.51Å; W788-L810 HydrophobicContact CZ3-CG 4.25Å; W788-F821 HydrophobicContact CH2-CB 3.91Å; W788-F821 HydrophobicContact CZ2-CB 4.48Å; W788-D823 VanDerWaalsContact CH2-C 3.47Å; W788-D823 WeakPolarHBondContact CH2-O 3.36Å; W788-I824 HydrophobicContact CD2-CG1 4.19Å; W788-I824 HydrophobicContact CE3-CD1 4.45Å; W788-I824 HydrophobicContact CE3-CG1 3.83Å; W788-I824 HydrophobicContact CH2-CG1 3.91Å; W788-I824 HydrophobicContact CZ2-CG1 4.23Å; W788-I824 HydrophobicContact CZ3-CG1 3.69Å; W788-F827 HydrophobicContact CH2-CB 4Å; W788-F827 HydrophobicContact CZ3-CB 3.93Å; W788-F827 HydrophobicContact CZ3-CD1 4.04Å; W788-F827 HydrophobicContact CZ3-CG 4Å
789	C	89.4	Confident	89.8	Confident	47 Å²	47	53.6 Å²	53.6	32%	0.318	32%	0.315	S	S	.	.	H	α-helix	trans	-57.1	-39.2	-172.9	-63.3	0	0	0	0	113.7	S786 I792 K793	S786-C789 WeakPolarHBondContact O-CB 3.5Å; S786-C789 PolarHBondContact O-N 2.92Å; C789-I792 PolarHBondContact O-N 2.91Å; C789-K793 PolarHBondContact O-N 2.79Å; C789-K793 VanDerWaalsContact O-N 3.1Å
790	G	88.6	Confident	89.8	Confident	45 Å²	45	52 Å²	52	46%	0.464	30%	0.301	S	S	.	.	H	α-helix	trans	-66.5	-38.1	175.7	0	0	0	0	0	113.1	W788 I794	W788-G790 VanDerWaalsContact C-N 3.31Å; W788-G790 PolarHBondContact O-N 2.92Å; G790-I794 WeakPolarHBondContact O-CD1 3.45Å; G790-I794 WeakPolarHBondContact O-CG1 3.33Å; G790-I794 PolarHBondContact O-N 3.25Å
791	I	89.7	Confident	89.9	Confident	8 Å²	8	57.1 Å²	57.1	4%	0.041	32%	0.318	C	S	.	.	H	α-helix	trans	-68.6	-40	175.5	-72.6	163.6	0	0	0	111	W788 I794 L795 L810 I824 F827 I844	W788-I791 HydrophobicContact CE3-CB 4.39Å; W788-I791 HydrophobicContact CE3-CD1 3.69Å; W788-I791 HydrophobicContact CE3-CG2 4.23Å; W788-I791 HydrophobicContact CZ3-CD1 3.93Å; W788-I791 CarbonylContact O-C 3.37Å; W788-I791 WeakPolarHBondContact O-CA 3.35Å; W788-I791 WeakPolarHBondContact O-CB 3.49Å; W788-I791 PolarHBondContact O-N 3.25Å; I791-I794 PolarHBondContact O-N 2.92Å; I791-L795 HydrophobicContact CG2-CD1 3.86Å; I791-L795 HydrophobicContact CG2-CG 4.38Å; I791-L795 WeakPolarHBondContact O-CB 3.2Å; I791-L795 WeakPolarHBondContact O-CG 3.3Å; I791-L795 PolarHBondContact O-N 2.89Å; I791-L810 HydrophobicContact CG2-CD2 3.65Å; I791-I824 HydrophobicContact CD1-CD1 3.95Å; I791-I824 HydrophobicContact CD1-CG1 3.85Å; I791-I824 HydrophobicContact CD1-CG2 4.05Å; I791-F827 HydrophobicContact CB-CE1 4.16Å; I791-F827 HydrophobicContact CD1-CD1 3.85Å; I791-F827 HydrophobicContact CD1-CE1 3.81Å; I791-F827 HydrophobicContact CG1-CD1 4.43Å; I791-F827 HydrophobicContact CG1-CE1 3.88Å; I791-F827 HydrophobicContact CG2-CD1 4.11Å; I791-F827 HydrophobicContact CG2-CE1 3.22Å; I791-F827 HydrophobicContact CG2-CE2 4.37Å; I791-F827 HydrophobicContact CG2-CZ 3.38Å; I791-I844 HydrophobicContact CG1-CD1 4.48Å; I791-I844 HydrophobicContact CG1-CG2 4.15Å
792	I	91.1	Very high	90	Very high	16 Å²	16	57.5 Å²	57.5	8%	0.082	32%	0.32	C	S	.	.	H	α-helix	trans	-64.1	-45.3	-179.9	-74	167.3	0	0	0	111	W788 C789 L795 Q796 P802 I804 L810	W788-I792 HydrophobicContact CB-CD1 3.84Å; W788-I792 HydrophobicContact CB-CG1 4.36Å; W788-I792 WeakPolarHBondContact O-CG1 3.16Å; W788-I792 PolarHBondContact O-N 3.02Å; C789-I792 PolarHBondContact O-N 2.91Å; I792-L795 PolarHBondContact O-N 2.91Å; I792-Q796 WeakPolarHBondContact O-CB 3.44Å; I792-Q796 WeakPolarHBondContact O-CG 3.41Å; I792-Q796 PolarHBondContact O-N 3.03Å; I792-P802 HydrophobicContact CB-CG 4.44Å; I792-P802 HydrophobicContact CG1-CB 4.23Å; I792-P802 HydrophobicContact CG1-CG 4.48Å; I792-P802 HydrophobicContact CG2-CG 3.95Å; I792-I804 HydrophobicContact CD1-CD1 3.53Å; I792-I804 HydrophobicContact CD1-CG1 3.55Å; I792-L810 HydrophobicContact CD1-CD1 4.39Å; I792-L810 HydrophobicContact CG1-CD1 3.91Å
793	K	90.4	Very high	90.1	Very high	121 Å²	121	56.5 Å²	56.5	53%	0.526	31%	0.311	S	S	.	.	H	α-helix	trans	-55.8	-53	172.8	-71.6	-173.7	177	-166.5	0	110.9	C789 L795 Q796 D797	C789-K793 PolarHBondContact O-N 2.79Å; C789-K793 VanDerWaalsContact O-N 3.1Å; K793-L795 VanDerWaalsContact C-N 3.28Å; K793-L795 PolarHBondContact O-N 3Å; K793-Q796 PolarHBondContact O-N 2.83Å; K793-Q796 VanDerWaalsContact O-N 3.07Å; K793-D797 PolarHBondContact O-N 3.32Å
794	I	89.9	Confident	90.2	Very high	30 Å²	30	52.1 Å²	52.1	15%	0.154	29%	0.288	C	S	.	.	H	α-helix	trans	-61.1	-33.7	179.5	-62.3	166.5	0	0	0	112.1	G790 I791 K798 L841 N843 I844	G790-I794 WeakPolarHBondContact O-CD1 3.45Å; G790-I794 WeakPolarHBondContact O-CG1 3.33Å; G790-I794 PolarHBondContact O-N 3.25Å; I791-I794 PolarHBondContact O-N 2.92Å; I794-K798 VanDerWaalsContact O-CG 3.22Å; I794-K798 WeakPolarHBondContact O-CG 2.94Å; I794-K798 PolarHBondContact O-N 2.95Å; I794-L841 HydrophobicContact CG2-CD2 3.73Å; I794-N843 HydrophobicContact CD1-CB 4.44Å; I794-I844 HydrophobicContact CD1-CG1 3.73Å; I794-I844 HydrophobicContact CG2-CG1 4.28Å
795	L	90.1	Very high	90.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-71.6	-39.2	174.8	-76	172.1	0	0	0	112.5	I791 I792 K793 K798 G799 F800 P802 L810 F812 F827 L841	I791-L795 HydrophobicContact CG2-CD1 3.86Å; I791-L795 HydrophobicContact CG2-CG 4.38Å; I791-L795 WeakPolarHBondContact O-CB 3.2Å; I791-L795 WeakPolarHBondContact O-CG 3.3Å; I791-L795 PolarHBondContact O-N 2.89Å; I792-L795 PolarHBondContact O-N 2.91Å; K793-L795 VanDerWaalsContact C-N 3.28Å; K793-L795 PolarHBondContact O-N 3Å; L795-K798 CarbonylContact O-C 3.46Å; L795-K798 PolarHBondContact O-N 3.44Å; L795-G799 PolarHBondContact O-N 2.98Å; L795-F800 HydrophobicContact CB-CB 4.26Å; L795-F800 HydrophobicContact CD2-CB 4.38Å; L795-F800 HydrophobicContact CD2-CD2 3.63Å; L795-F800 HydrophobicContact CD2-CE2 4.19Å; L795-F800 HydrophobicContact CD2-CG 4.17Å; L795-F800 WeakPolarHBondContact O-CB 3.39Å; L795-F800 PolarHBondContact O-N 2.83Å; L795-P802 HydrophobicContact CB-CB 4.28Å; L795-P802 HydrophobicContact CB-CG 3.98Å; L795-P802 HydrophobicContact CD1-CB 4.09Å; L795-L810 HydrophobicContact CD1-CD1 4.35Å; L795-L810 HydrophobicContact CD1-CD2 3.91Å; L795-F812 HydrophobicContact CD1-CD1 4.18Å; L795-F812 HydrophobicContact CD1-CG 4.35Å; L795-F812 HydrophobicContact CD2-CD2 4.42Å; L795-F812 HydrophobicContact CD2-CE2 4.3Å; L795-F812 HydrophobicContact CD2-CZ 4.46Å; L795-F827 HydrophobicContact CD1-CE2 4.32Å; L795-F827 HydrophobicContact CD1-CZ 4.06Å; L795-F827 HydrophobicContact CG-CZ 4.49Å; L795-L841 HydrophobicContact CD2-CD1 4.08Å; L795-L841 HydrophobicContact CD2-CD2 4.08Å
796	Q	90.8	Very high	89.9	Confident	81 Å²	81	56 Å²	56	38%	0.379	30%	0.301	S	S	.	.	H	α-helix	trans	-65.5	-43.5	175.1	-72.4	168.5	-18.3	0	0	111.3	I792 K793 K798 G799 P802	I792-Q796 WeakPolarHBondContact O-CB 3.44Å; I792-Q796 WeakPolarHBondContact O-CG 3.41Å; I792-Q796 PolarHBondContact O-N 3.03Å; K793-Q796 PolarHBondContact O-N 2.83Å; K793-Q796 VanDerWaalsContact O-N 3.07Å; Q796-K798 PolarHBondContact O-N 2.86Å; Q796-G799 PolarHBondContact O-N 3.07Å; Q796-P802 HydrophobicContact CG-CG 3.72Å
797	D	90.3	Very high	89.5	Confident	122 Å²	122	53.1 Å²	53.1	65%	0.652	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-18.8	174.2	-62.4	-25.5	0	0	0	113.4	K793	K793-D797 PolarHBondContact O-N 3.32Å
798	K	88.8	Confident	89.4	Confident	93 Å²	93	48.3 Å²	48.3	40%	0.404	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	11.5	178.1	-56.4	-59.5	176.1	178.2	0	113.3	I794 L795 Q796 F800 L840 L841	I794-K798 VanDerWaalsContact O-CG 3.22Å; I794-K798 WeakPolarHBondContact O-CG 2.94Å; I794-K798 PolarHBondContact O-N 2.95Å; L795-K798 CarbonylContact O-C 3.46Å; L795-K798 PolarHBondContact O-N 3.44Å; Q796-K798 PolarHBondContact O-N 2.86Å; K798-F800 VanDerWaalsContact C-N 3.34Å; K798-F800 HydrophobicContact CB-CD2 3.99Å; K798-F800 HydrophobicContact CB-CE2 4.03Å; K798-F800 PolarHBondContact O-N 3.21Å; K798-L840 HydrophobicContact CB-CD1 4.48Å; K798-L840 HydrophobicContact CB-CD2 4.25Å; K798-L840 HydrophobicContact CB-CG 4.22Å; K798-L840 HydrophobicContact CD-CD1 3.78Å; K798-L840 HydrophobicContact CD-CG 4.06Å; K798-L840 VanDerWaalsContact CE-O 3.25Å; K798-L840 WeakPolarHBondContact CE-O 3.36Å; K798-L840 HydrophobicContact CG-CD1 4.26Å; K798-L840 HydrophobicContact CG-CG 4.01Å; K798-L841 HydrophobicContact CG-CD2 4.17Å
799	G	88.6	Confident	89.4	Confident	69 Å²	69	50.8 Å²	50.8	71%	0.711	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	12.5	174.7	0	0	0	0	0	115.2	L795 Q796	L795-G799 PolarHBondContact O-N 2.98Å; Q796-G799 PolarHBondContact O-N 3.07Å
800	F	90.3	Very high	89.6	Confident	36 Å²	36	48.5 Å²	48.5	16%	0.158	26%	0.256	C	S	.	.			trans	-79.2	157.6	169.1	-61.8	-75.9	0	0	0	110.7	L795 K798 P802 F812 F814 L837 L840	L795-F800 HydrophobicContact CB-CB 4.26Å; L795-F800 HydrophobicContact CD2-CB 4.38Å; L795-F800 HydrophobicContact CD2-CD2 3.63Å; L795-F800 HydrophobicContact CD2-CE2 4.19Å; L795-F800 HydrophobicContact CD2-CG 4.17Å; L795-F800 WeakPolarHBondContact O-CB 3.39Å; L795-F800 PolarHBondContact O-N 2.83Å; K798-F800 VanDerWaalsContact C-N 3.34Å; K798-F800 HydrophobicContact CB-CD2 3.99Å; K798-F800 HydrophobicContact CB-CE2 4.03Å; K798-F800 PolarHBondContact O-N 3.21Å; F800-P802 WeakPolarHBondContact O-CD 3.26Å; F800-F812 HydrophobicContact CB-CD2 4.34Å; F800-F812 AromaticContact CD1-CD2 3.86Å; F800-F812 HydrophobicContact CD1-CD2 3.86Å; F800-F812 HydrophobicContact CD1-CE2 4.13Å; F800-F812 HydrophobicContact CE1-CD2 4.4Å; F800-F812 HydrophobicContact CE1-CE2 4.23Å; F800-F812 HydrophobicContact CG-CD2 4.12Å; F800-F812 HydrophobicContact CG-CE2 4.48Å; F800-F814 HydrophobicContact CE1-CD2 4.12Å; F800-F814 HydrophobicContact CZ-CD2 4.48Å; F800-L837 HydrophobicContact CE2-CD2 4.36Å; F800-L837 HydrophobicContact CZ-CD2 4.02Å; F800-L840 HydrophobicContact CE2-CD2 3.7Å; F800-L840 HydrophobicContact CZ-CD2 3.94Å
801	Q	90.1	Very high	89.8	Confident	133 Å²	133	46.5 Å²	46.5	62%	0.621	24%	0.235	S	C	*	.			trans	-105.9	80.4	171.2	-64.6	-177.4	4.8	0	0	109.8
802	P	92.8	Very high	90	Very high	7 Å²	7	46.1 Å²	46.1	5%	0.045	23%	0.233	C	C	.	.			trans	-69.4	148.2	172.3	31.7	-36.2	0	0	0	111.2	S393 I792 L795 Q796 F800 L810 A811 F812	S393-P802 PolarHBondContact OG-O 3.31Å; I792-P802 HydrophobicContact CB-CG 4.44Å; I792-P802 HydrophobicContact CG1-CB 4.23Å; I792-P802 HydrophobicContact CG1-CG 4.48Å; I792-P802 HydrophobicContact CG2-CG 3.95Å; L795-P802 HydrophobicContact CB-CB 4.28Å; L795-P802 HydrophobicContact CB-CG 3.98Å; L795-P802 HydrophobicContact CD1-CB 4.09Å; Q796-P802 HydrophobicContact CG-CG 3.72Å; F800-P802 WeakPolarHBondContact O-CD 3.26Å; P802-L810 HydrophobicContact CB-CD1 3.9Å; P802-A811 CarbonylContact C-O 3.44Å; P802-A811 VanDerWaalsContact CA-O 3.3Å; P802-A811 WeakPolarHBondContact CA-O 3.34Å; P802-F812 HydrophobicContact CB-CB 4.39Å
803	R	91.8	Very high	90	Very high	68 Å²	68	48 Å²	48	26%	0.257	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	147.6	178.2	-44.9	-171.4	-167.3	177.9	3.5	108.6	E395 A811 D813	E395-R803 IonicContact OE1-CZ 2.67Å; E395-R803 IonicContact OE1-NH1 3.22Å; E395-R803 PolarHBondContact OE1-NH1 2.96Å; E395-R803 WeakPolarHBondContact OE2-CD 3.22Å; E395-R803 IonicContact OE2-CZ 3.11Å; E395-R803 IonicContact OE2-NE 2.87Å; E395-R803 IonicContact OE2-NH1 3.51Å; E395-R803 PolarHBondContact OE2-NH1 3.2Å; R803-A811 PolarHBondContact N-O 2.84Å; R803-A811 PolarHBondContact O-N 3.44Å; R803-D813 IonicContact NH2-OD2 2.64Å
804	I	91.3	Very high	89.9	Confident	3 Å²	3	43.2 Å²	43.2	2%	0.015	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	111.9	172.7	-57.5	-176.1	0	0	0	108.6	E392 R785 I792	E392-I804 HydrophobicContact CG-CD1 4.35Å; E392-I804 WeakPolarHBondContact OE1-CD1 3.36Å; R785-I804 HydrophobicContact CB-CD1 4.35Å; R785-I804 HydrophobicContact CG-CD1 4.41Å; R785-I804 HydrophobicContact CG-CG2 3.87Å; I792-I804 HydrophobicContact CD1-CD1 3.53Å; I792-I804 HydrophobicContact CD1-CG1 3.55Å
805	L	89.6	Confident	89.8	Confident	31 Å²	31	50.1 Å²	50.1	16%	0.162	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	148.8	174.8	-54.9	-178.7	0	0	0	110.8	E395 P807 A808 K809 A811 I820	E395-L805 HydrophobicContact CB-CD2 3.81Å; E395-L805 WeakPolarHBondContact O-CD2 3.37Å; L805-P807 CarbonylContact O-C 3.51Å; L805-A808 PolarHBondContact O-N 3.29Å; L805-K809 HydrophobicContact CB-CB 4.33Å; L805-K809 PolarHBondContact N-O 3.23Å; L805-K809 PolarHBondContact O-N 2.9Å; L805-A811 HydrophobicContact CD1-CB 3.69Å; L805-A811 HydrophobicContact CG-CB 3.83Å; L805-I820 HydrophobicContact CD1-CD1 3.88Å; L805-I820 HydrophobicContact CD1-CG1 4.2Å; L805-I820 HydrophobicContact CD1-CG2 4.41Å
806	Y	83	Confident	89.6	Confident	78 Å²	78	54 Å²	54	31%	0.306	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	139	179.7	178.3	-87.5	0	0	0	112.8	D677 K809	D677-Y806 HydrophobicContact CB-CE2 4.09Å; D677-Y806 VanDerWaalsContact CB-OH 3.25Å; D677-Y806 WeakPolarHBondContact CB-OH 3.5Å; Y806-K809 WeakPolarHBondContact O-CE 3.27Å; Y806-K809 PolarHBondContact O-NZ 3Å
807	P	82.6	Confident	89.6	Confident	7 Å²	7	57.3 Å²	57.3	5%	0.045	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	cis	-73.1	-51.4	-3.7	-19.3	34.3	0	0	0	113.8	T781 R785 L805	T781-P807 HydrophobicContact CG2-CB 4.03Å; T781-P807 WeakPolarHBondContact CG2-O 3.29Å; R785-P807 PolarHBondContact NE-O 2.97Å; R785-P807 PolarHBondContact NH2-O 3.44Å; R785-P807 VanDerWaalsContact NH2-O 3.12Å; L805-P807 CarbonylContact O-C 3.51Å
808	A	87.9	Confident	89.7	Confident	13 Å²	13	55.5 Å²	55.5	11%	0.107	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-149.8	52.2	-175.4	0	0	0	0	0	112.1	A784 R785 W788 L805	A784-A808 HydrophobicContact CB-CB 3.57Å; R785-A808 HydrophobicContact CG-CB 3.67Å; W788-A808 PolarHBondContact NE1-O 3.5Å; L805-A808 PolarHBondContact O-N 3.29Å
809	K	90.9	Very high	89.9	Confident	58 Å²	58	54.9 Å²	54.9	25%	0.252	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	133.6	-179.5	-55.4	165.5	-166.9	150.1	0	109.8	L805 Y806 I820 F821 F822	L805-K809 HydrophobicContact CB-CB 4.33Å; L805-K809 PolarHBondContact N-O 3.23Å; L805-K809 PolarHBondContact O-N 2.9Å; Y806-K809 WeakPolarHBondContact O-CE 3.27Å; Y806-K809 PolarHBondContact O-NZ 3Å; K809-I820 HydrophobicContact CB-CG2 4.07Å; K809-I820 HydrophobicContact CD-CG2 4.33Å; K809-F821 WeakPolarHBondContact CA-O 3.49Å; K809-F821 WeakPolarHBondContact CB-O 3.47Å; K809-F822 HydrophobicContact CD-CD1 4.12Å; K809-F822 HydrophobicContact CD-CE1 3.92Å; K809-F822 HydrophobicContact CD-CZ 4.45Å; K809-F822 HydrophobicContact CG-CD1 4.16Å; K809-F822 HydrophobicContact CG-CE1 4.46Å
810	L	93.4	Very high	90.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	128.9	172	176.4	66.3	0	0	0	109.7	W788 I791 I792 L795 P802 I820 F821 F827	W788-L810 HydrophobicContact CD2-CB 3.72Å; W788-L810 HydrophobicContact CD2-CD2 4.46Å; W788-L810 HydrophobicContact CE3-CB 3.64Å; W788-L810 HydrophobicContact CE3-CD2 3.59Å; W788-L810 HydrophobicContact CE3-CG 4.17Å; W788-L810 HydrophobicContact CG-CB 4.4Å; W788-L810 HydrophobicContact CH2-CB 3.82Å; W788-L810 HydrophobicContact CH2-CD2 4.34Å; W788-L810 HydrophobicContact CZ2-CB 3.91Å; W788-L810 HydrophobicContact CZ3-CB 3.69Å; W788-L810 HydrophobicContact CZ3-CD2 3.51Å; W788-L810 HydrophobicContact CZ3-CG 4.25Å; I791-L810 HydrophobicContact CG2-CD2 3.65Å; I792-L810 HydrophobicContact CD1-CD1 4.39Å; I792-L810 HydrophobicContact CG1-CD1 3.91Å; L795-L810 HydrophobicContact CD1-CD1 4.35Å; L795-L810 HydrophobicContact CD1-CD2 3.91Å; P802-L810 HydrophobicContact CB-CD1 3.9Å; L810-I820 CarbonylContact O-C 3.58Å; L810-I820 VanDerWaalsContact O-CA 3.32Å; L810-I820 WeakPolarHBondContact O-CA 3.49Å; L810-F821 PolarHBondContact N-O 2.81Å; L810-F821 VanDerWaalsContact N-O 3.09Å; L810-F821 PolarHBondContact O-N 2.9Å; L810-F827 HydrophobicContact CD2-CD2 3.98Å; L810-F827 HydrophobicContact CD2-CE1 4.49Å; L810-F827 HydrophobicContact CD2-CE2 3.82Å; L810-F827 HydrophobicContact CD2-CG 4.38Å; L810-F827 HydrophobicContact CD2-CZ 4.07Å
811	A	93.5	Very high	90.2	Very high	2 Å²	2	54.1 Å²	54.1	2%	0.017	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	138.2	168.8	0	0	0	0	0	110.5	P802 R803 L805 T818 K819 I820	P802-A811 CarbonylContact C-O 3.44Å; P802-A811 VanDerWaalsContact CA-O 3.3Å; P802-A811 WeakPolarHBondContact CA-O 3.34Å; R803-A811 PolarHBondContact N-O 2.84Å; R803-A811 PolarHBondContact O-N 3.44Å; L805-A811 HydrophobicContact CD1-CB 3.69Å; L805-A811 HydrophobicContact CG-CB 3.83Å; A811-T818 HydrophobicContact CB-CG2 4.2Å; A811-K819 CarbonylContact C-O 3.55Å; A811-K819 VanDerWaalsContact CA-O 3.26Å; A811-K819 WeakPolarHBondContact CA-O 3.46Å; A811-I820 HydrophobicContact CB-CG1 4.07Å
812	F	92.8	Very high	90	Very high	1 Å²	1	54.4 Å²	54.4	0%	0.004	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	154.7	167.9	75.3	-80.4	0	0	0	111.8	L795 F800 P802 F814 K819 F821 F827 F830	L795-F812 HydrophobicContact CD1-CD1 4.18Å; L795-F812 HydrophobicContact CD1-CG 4.35Å; L795-F812 HydrophobicContact CD2-CD2 4.42Å; L795-F812 HydrophobicContact CD2-CE2 4.3Å; L795-F812 HydrophobicContact CD2-CZ 4.46Å; F800-F812 HydrophobicContact CB-CD2 4.34Å; F800-F812 AromaticContact CD1-CD2 3.86Å; F800-F812 HydrophobicContact CD1-CD2 3.86Å; F800-F812 HydrophobicContact CD1-CE2 4.13Å; F800-F812 HydrophobicContact CE1-CD2 4.4Å; F800-F812 HydrophobicContact CE1-CE2 4.23Å; F800-F812 HydrophobicContact CG-CD2 4.12Å; F800-F812 HydrophobicContact CG-CE2 4.48Å; P802-F812 HydrophobicContact CB-CB 4.39Å; F812-F814 HydrophobicContact CD2-CB 4.41Å; F812-F814 HydrophobicContact CE2-CB 3.92Å; F812-F814 HydrophobicContact CE2-CD2 4.39Å; F812-F814 HydrophobicContact CE2-CG 4.47Å; F812-K819 PolarHBondContact N-O 3.43Å; F812-K819 PolarHBondContact O-N 2.93Å; F812-F821 HydrophobicContact CD1-CD2 4.48Å; F812-F821 AromaticContact CD1-CE2 3.97Å; F812-F821 HydrophobicContact CD1-CE2 3.97Å; F812-F821 HydrophobicContact CE1-CD2 4.22Å; F812-F821 AromaticContact CE1-CE2 3.45Å; F812-F821 HydrophobicContact CE1-CE2 3.45Å; F812-F821 VanDerWaalsContact CE1-CE2 3.45Å; F812-F821 HydrophobicContact CE1-CZ 4.2Å; F812-F821 HydrophobicContact CZ-CE2 4.43Å; F812-F827 HydrophobicContact CD1-CE2 4.46Å; F812-F827 HydrophobicContact CE1-CD2 4.2Å; F812-F827 AromaticContact CE1-CE2 3.65Å; F812-F827 HydrophobicContact CE1-CE2 3.65Å; F812-F827 HydrophobicContact CZ-CE2 4.22Å; F812-F830 HydrophobicContact CZ-CE1 4.21Å
813	D	92	Very high	89.6	Confident	56 Å²	56	57.6 Å²	57.6	30%	0.299	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	123	-179.2	-65.9	-47.8	0	0	0	112.2	R803 T818	R803-D813 IonicContact NH2-OD2 2.64Å; D813-T818 VanDerWaalsContact OD1-CA 3.22Å; D813-T818 WeakPolarHBondContact OD1-CA 3.38Å; D813-T818 VanDerWaalsContact OD1-CB 3.28Å; D813-T818 WeakPolarHBondContact OD1-CB 3.38Å; D813-T818 PolarHBondContact OD1-N 2.96Å; D813-T818 PolarHBondContact OD1-OG1 3.1Å
814	F	88.6	Confident	89.4	Confident	19 Å²	19	55.8 Å²	55.8	8%	0.083	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	122.5	177.9	-175.8	-108.3	0	0	0	111	F800 F812 G816 K817 K819 F830 I834 L837	F800-F814 HydrophobicContact CE1-CD2 4.12Å; F800-F814 HydrophobicContact CZ-CD2 4.48Å; F812-F814 HydrophobicContact CD2-CB 4.41Å; F812-F814 HydrophobicContact CE2-CB 3.92Å; F812-F814 HydrophobicContact CE2-CD2 4.39Å; F812-F814 HydrophobicContact CE2-CG 4.47Å; F814-G816 VanDerWaalsContact C-N 3.27Å; F814-G816 PolarHBondContact O-N 2.88Å; F814-K817 PolarHBondContact N-O 3Å; F814-K817 PolarHBondContact O-N 3.48Å; F814-K817 VanDerWaalsContact O-N 3.11Å; F814-K817 VanDerWaalsContact O-O 3.05Å; F814-K819 HydrophobicContact CB-CG 4.22Å; F814-F830 HydrophobicContact CD1-CZ 4.03Å; F814-F830 HydrophobicContact CE1-CZ 4.39Å; F814-I834 HydrophobicContact CE1-CD1 4Å; F814-I834 HydrophobicContact CZ-CG2 4.14Å; F814-L837 HydrophobicContact CD1-CD1 4.34Å; F814-L837 HydrophobicContact CD2-CD1 3.97Å; F814-L837 HydrophobicContact CD2-CD2 4.19Å; F814-L837 HydrophobicContact CD2-CG 4.27Å; F814-L837 HydrophobicContact CE1-CD1 3.97Å; F814-L837 HydrophobicContact CE2-CD1 3.59Å; F814-L837 HydrophobicContact CE2-CD2 3.92Å; F814-L837 HydrophobicContact CE2-CG 3.62Å; F814-L837 HydrophobicContact CG-CD1 4.33Å; F814-L837 HydrophobicContact CZ-CD1 3.57Å; F814-L837 HydrophobicContact CZ-CG 3.88Å
815	K	86.1	Confident	89.2	Confident	176 Å²	176	63 Å²	63	77%	0.765	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	43.7	-176.6	-60.8	-176.6	176.4	-175.2	0	113.1	K817	K815-K817 VanDerWaalsContact C-N 3.29Å; K815-K817 PolarHBondContact O-N 3.41Å
816	G	87.1	Confident	89.2	Confident	80 Å²	80	65.7 Å²	65.7	83%	0.825	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	17.7	179.4	0	0	0	0	0	115	F814	F814-G816 VanDerWaalsContact C-N 3.27Å; F814-G816 PolarHBondContact O-N 2.88Å
817	K	90.9	Very high	89.5	Confident	151 Å²	151	62 Å²	62	66%	0.657	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.3	128	173.4	-61.9	-171.1	179.3	-171.5	0	110.2	F814 K815 K819	F814-K817 PolarHBondContact N-O 3Å; F814-K817 PolarHBondContact O-N 3.48Å; F814-K817 VanDerWaalsContact O-N 3.11Å; F814-K817 VanDerWaalsContact O-O 3.05Å; K815-K817 VanDerWaalsContact C-N 3.29Å; K815-K817 PolarHBondContact O-N 3.41Å; K817-K819 PolarHBondContact O-N 3.02Å
818	T	92.4	Very high	89.8	Confident	84 Å²	84	64.9 Å²	64.9	52%	0.515	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	130.7	171.5	-40.2	0	0	0	0	109.8	A811 D813	A811-T818 HydrophobicContact CB-CG2 4.2Å; D813-T818 VanDerWaalsContact OD1-CA 3.22Å; D813-T818 WeakPolarHBondContact OD1-CA 3.38Å; D813-T818 VanDerWaalsContact OD1-CB 3.28Å; D813-T818 WeakPolarHBondContact OD1-CB 3.38Å; D813-T818 PolarHBondContact OD1-N 2.96Å; D813-T818 PolarHBondContact OD1-OG1 3.1Å
819	K	92.1	Very high	89.9	Confident	81 Å²	81	70.7 Å²	70.7	35%	0.352	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	125	176	-70	-60.9	-167.9	174.7	0	108.7	A811 F812 F814 K817 F821 F830	A811-K819 CarbonylContact C-O 3.55Å; A811-K819 VanDerWaalsContact CA-O 3.26Å; A811-K819 WeakPolarHBondContact CA-O 3.46Å; F812-K819 PolarHBondContact N-O 3.43Å; F812-K819 PolarHBondContact O-N 2.93Å; F814-K819 HydrophobicContact CB-CG 4.22Å; K817-K819 PolarHBondContact O-N 3.02Å; K819-F821 HydrophobicContact CB-CE2 3.52Å; K819-F821 HydrophobicContact CB-CZ 3.72Å; K819-F830 HydrophobicContact CD-CE2 4.47Å; K819-F830 HydrophobicContact CD-CZ 4.38Å; K819-F830 HydrophobicContact CG-CZ 4.03Å
820	I	92.9	Very high	89.8	Confident	79 Å²	79	69.7 Å²	69.7	41%	0.405	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	134.5	-177	-54.2	174.6	0	0	0	108.1	L805 K809 L810 A811	L805-I820 HydrophobicContact CD1-CD1 3.88Å; L805-I820 HydrophobicContact CD1-CG1 4.2Å; L805-I820 HydrophobicContact CD1-CG2 4.41Å; K809-I820 HydrophobicContact CB-CG2 4.07Å; K809-I820 HydrophobicContact CD-CG2 4.33Å; L810-I820 CarbonylContact O-C 3.58Å; L810-I820 VanDerWaalsContact O-CA 3.32Å; L810-I820 WeakPolarHBondContact O-CA 3.49Å; A811-I820 HydrophobicContact CB-CG1 4.07Å
821	F	91.7	Very high	89.7	Confident	9 Å²	9	70.3 Å²	70.3	4%	0.039	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135.4	-178.5	-57	-85.1	0	0	0	110	W788 K809 L810 F812 K819 E826 F827 F830	W788-F821 HydrophobicContact CH2-CB 3.91Å; W788-F821 HydrophobicContact CZ2-CB 4.48Å; K809-F821 WeakPolarHBondContact CA-O 3.49Å; K809-F821 WeakPolarHBondContact CB-O 3.47Å; L810-F821 PolarHBondContact N-O 2.81Å; L810-F821 VanDerWaalsContact N-O 3.09Å; L810-F821 PolarHBondContact O-N 2.9Å; F812-F821 HydrophobicContact CD1-CD2 4.48Å; F812-F821 AromaticContact CD1-CE2 3.97Å; F812-F821 HydrophobicContact CD1-CE2 3.97Å; F812-F821 HydrophobicContact CE1-CD2 4.22Å; F812-F821 AromaticContact CE1-CE2 3.45Å; F812-F821 HydrophobicContact CE1-CE2 3.45Å; F812-F821 VanDerWaalsContact CE1-CE2 3.45Å; F812-F821 HydrophobicContact CE1-CZ 4.2Å; F812-F821 HydrophobicContact CZ-CE2 4.43Å; K819-F821 HydrophobicContact CB-CE2 3.52Å; K819-F821 HydrophobicContact CB-CZ 3.72Å; F821-E826 WeakPolarHBondContact CA-OE2 3.4Å; F821-E826 HydrophobicContact CD1-CG 4.1Å; F821-F827 HydrophobicContact CB-CB 4.16Å; F821-F827 HydrophobicContact CD1-CB 3.98Å; F821-F827 HydrophobicContact CD1-CD2 4.39Å; F821-F827 AromaticContact CD2-CD2 3.94Å; F821-F827 HydrophobicContact CD2-CD2 3.94Å; F821-F827 HydrophobicContact CE1-CD2 4.49Å; F821-F827 HydrophobicContact CE2-CD2 4.07Å; F821-F827 HydrophobicContact CG-CB 3.98Å; F821-F827 HydrophobicContact CG-CD2 4.12Å; F821-F827 HydrophobicContact CZ-CD2 4.34Å; F821-F830 HydrophobicContact CE1-CB 3.57Å; F821-F830 AromaticContact CE1-CD1 3.77Å; F821-F830 HydrophobicContact CE1-CD1 3.77Å; F821-F830 HydrophobicContact CE1-CD2 4.2Å; F821-F830 AromaticContact CE1-CG 3.58Å; F821-F830 HydrophobicContact CE1-CG 3.58Å; F821-F830 HydrophobicContact CE2-CD1 4.45Å; F821-F830 HydrophobicContact CZ-CB 4.14Å; F821-F830 AromaticContact CZ-CD1 3.39Å; F821-F830 HydrophobicContact CZ-CD1 3.39Å; F821-F830 HydrophobicContact CZ-CD2 4.24Å; F821-F830 AromaticContact CZ-CE1 3.74Å; F821-F830 HydrophobicContact CZ-CE1 3.74Å; F821-F830 AromaticContact CZ-CG 3.66Å; F821-F830 HydrophobicContact CZ-CG 3.66Å; F821-F830 HydrophobicContact CZ-CZ 4.31Å
822	F	85.9	Confident	89.4	Confident	139 Å²	139	73.3 Å²	73.3	61%	0.61	37%	0.372	S	S	*	.	S	Bend	trans	-91.3	-24.4	179.9	-66.7	-101.3	0	0	0	112.2	K809 E826	K809-F822 HydrophobicContact CD-CD1 4.12Å; K809-F822 HydrophobicContact CD-CE1 3.92Å; K809-F822 HydrophobicContact CD-CZ 4.45Å; K809-F822 HydrophobicContact CG-CD1 4.16Å; K809-F822 HydrophobicContact CG-CE1 4.46Å; F822-E826 PolarHBondContact N-OE2 3.46Å
823	D	85.3	Confident	89.2	Confident	74 Å²	74	78.5 Å²	78.5	40%	0.396	40%	0.4	S	S	.	.	S	Bend	trans	-147.3	156.1	-176.1	-179	41.7	0	0	0	112.4	W788 E825 E826 F827	W788-D823 VanDerWaalsContact CH2-C 3.47Å; W788-D823 WeakPolarHBondContact CH2-O 3.36Å; D823-E825 VanDerWaalsContact C-N 3.31Å; D823-E825 PolarHBondContact O-N 3.1Å; D823-E825 WeakPolarHBondContact OD2-CB 3.28Å; D823-E825 PolarHBondContact OD2-N 2.97Å; D823-E826 WeakPolarHBondContact O-CB 3.46Å; D823-E826 PolarHBondContact O-N 3.34Å; D823-F827 PolarHBondContact O-N 3.42Å; D823-F827 VanDerWaalsContact O-N 3.15Å
824	I	87.4	Confident	89.1	Confident	30 Å²	30	77.7 Å²	77.7	15%	0.154	40%	0.395	C	S	.	.	H	α-helix	trans	-68	-29.7	-179.8	-68.6	176.3	0	0	0	111.4	Q787 W788 I791 F827 K828	Q787-I824 HydrophobicContact CB-CD1 3.64Å; Q787-I824 WeakPolarHBondContact O-CD1 3.3Å; W788-I824 HydrophobicContact CD2-CG1 4.19Å; W788-I824 HydrophobicContact CE3-CD1 4.45Å; W788-I824 HydrophobicContact CE3-CG1 3.83Å; W788-I824 HydrophobicContact CH2-CG1 3.91Å; W788-I824 HydrophobicContact CZ2-CG1 4.23Å; W788-I824 HydrophobicContact CZ3-CG1 3.69Å; I791-I824 HydrophobicContact CD1-CD1 3.95Å; I791-I824 HydrophobicContact CD1-CG1 3.85Å; I791-I824 HydrophobicContact CD1-CG2 4.05Å; I824-F827 PolarHBondContact O-N 3.02Å; I824-K828 HydrophobicContact CG2-CD 4.02Å; I824-K828 HydrophobicContact CG2-CG 4.15Å; I824-K828 VanDerWaalsContact O-CB 3.31Å; I824-K828 WeakPolarHBondContact O-CB 3.47Å; I824-K828 WeakPolarHBondContact O-CG 3.26Å; I824-K828 PolarHBondContact O-N 3.46Å
825	E	87	Confident	88.8	Confident	155 Å²	155	81 Å²	81	72%	0.724	42%	0.418	S	S	*	.	H	α-helix	trans	-67.9	-39.5	174.2	-60.8	-167.5	176.5	0	0	111.8	D823 K828 K829	D823-E825 VanDerWaalsContact C-N 3.31Å; D823-E825 PolarHBondContact O-N 3.1Å; D823-E825 WeakPolarHBondContact OD2-CB 3.28Å; D823-E825 PolarHBondContact OD2-N 2.97Å; E825-K828 PolarHBondContact O-N 3.47Å; E825-K829 VanDerWaalsContact O-CB 3.29Å; E825-K829 WeakPolarHBondContact O-CB 3.39Å; E825-K829 PolarHBondContact O-N 2.9Å
826	E	88.7	Confident	88.7	Confident	88 Å²	88	79.9 Å²	79.9	41%	0.411	41%	0.41	S	S	.	.	H	α-helix	trans	-61.2	-44.7	174.5	-171.3	-175.5	-151.2	0	0	111.1	F821 F822 D823 K829 F830	F821-E826 WeakPolarHBondContact CA-OE2 3.4Å; F821-E826 HydrophobicContact CD1-CG 4.1Å; F822-E826 PolarHBondContact N-OE2 3.46Å; D823-E826 WeakPolarHBondContact O-CB 3.46Å; D823-E826 PolarHBondContact O-N 3.34Å; E826-K829 PolarHBondContact O-N 2.96Å; E826-F830 WeakPolarHBondContact O-CB 3.45Å; E826-F830 PolarHBondContact O-N 2.87Å
827	F	89.7	Confident	88.5	Confident	0 Å²	0	76 Å²	76	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-67.6	-46.4	176.9	174.1	-108	0	0	0	112.8	W788 I791 L795 L810 F812 F821 D823 I824 K829 F830 I831 I844	W788-F827 HydrophobicContact CH2-CB 4Å; W788-F827 HydrophobicContact CZ3-CB 3.93Å; W788-F827 HydrophobicContact CZ3-CD1 4.04Å; W788-F827 HydrophobicContact CZ3-CG 4Å; I791-F827 HydrophobicContact CB-CE1 4.16Å; I791-F827 HydrophobicContact CD1-CD1 3.85Å; I791-F827 HydrophobicContact CD1-CE1 3.81Å; I791-F827 HydrophobicContact CG1-CD1 4.43Å; I791-F827 HydrophobicContact CG1-CE1 3.88Å; I791-F827 HydrophobicContact CG2-CD1 4.11Å; I791-F827 HydrophobicContact CG2-CE1 3.22Å; I791-F827 HydrophobicContact CG2-CE2 4.37Å; I791-F827 HydrophobicContact CG2-CZ 3.38Å; L795-F827 HydrophobicContact CD1-CE2 4.32Å; L795-F827 HydrophobicContact CD1-CZ 4.06Å; L795-F827 HydrophobicContact CG-CZ 4.49Å; L810-F827 HydrophobicContact CD2-CD2 3.98Å; L810-F827 HydrophobicContact CD2-CE1 4.49Å; L810-F827 HydrophobicContact CD2-CE2 3.82Å; L810-F827 HydrophobicContact CD2-CG 4.38Å; L810-F827 HydrophobicContact CD2-CZ 4.07Å; F812-F827 HydrophobicContact CD1-CE2 4.46Å; F812-F827 HydrophobicContact CE1-CD2 4.2Å; F812-F827 AromaticContact CE1-CE2 3.65Å; F812-F827 HydrophobicContact CE1-CE2 3.65Å; F812-F827 HydrophobicContact CZ-CE2 4.22Å; F821-F827 HydrophobicContact CB-CB 4.16Å; F821-F827 HydrophobicContact CD1-CB 3.98Å; F821-F827 HydrophobicContact CD1-CD2 4.39Å; F821-F827 AromaticContact CD2-CD2 3.94Å; F821-F827 HydrophobicContact CD2-CD2 3.94Å; F821-F827 HydrophobicContact CE1-CD2 4.49Å; F821-F827 HydrophobicContact CE2-CD2 4.07Å; F821-F827 HydrophobicContact CG-CB 3.98Å; F821-F827 HydrophobicContact CG-CD2 4.12Å; F821-F827 HydrophobicContact CZ-CD2 4.34Å; D823-F827 PolarHBondContact O-N 3.42Å; D823-F827 VanDerWaalsContact O-N 3.15Å; I824-F827 PolarHBondContact O-N 3.02Å; F827-K829 VanDerWaalsContact C-N 3.26Å; F827-K829 PolarHBondContact O-N 2.97Å; F827-F830 PolarHBondContact O-N 3.37Å; F827-I831 HydrophobicContact CD1-CD1 3.87Å; F827-I831 HydrophobicContact CD2-CD1 4.32Å; F827-I831 HydrophobicContact CE1-CD1 3.43Å; F827-I831 VanDerWaalsContact CE1-CD1 3.43Å; F827-I831 HydrophobicContact CE2-CD1 3.91Å; F827-I831 HydrophobicContact CE2-CG1 4.34Å; F827-I831 HydrophobicContact CG-CD1 4.31Å; F827-I831 HydrophobicContact CZ-CD1 3.47Å; F827-I831 VanDerWaalsContact CZ-CD1 3.47Å; F827-I831 HydrophobicContact CZ-CG1 4.36Å; F827-I831 WeakPolarHBondContact O-CG1 3.24Å; F827-I831 PolarHBondContact O-N 3.2Å; F827-I844 HydrophobicContact CE1-CD1 3.85Å; F827-I844 HydrophobicContact CZ-CD1 4.31Å
828	K	89.2	Confident	88.2	Confident	68 Å²	68	73.3 Å²	73.3	30%	0.296	36%	0.359	S	S	.	.	H	α-helix	trans	-61.3	-33.7	175.1	-78.3	-174.3	172.9	-177.2	0	111.8	I824 E825 S832 H845	I824-K828 HydrophobicContact CG2-CD 4.02Å; I824-K828 HydrophobicContact CG2-CG 4.15Å; I824-K828 VanDerWaalsContact O-CB 3.31Å; I824-K828 WeakPolarHBondContact O-CB 3.47Å; I824-K828 WeakPolarHBondContact O-CG 3.26Å; I824-K828 PolarHBondContact O-N 3.46Å; E825-K828 PolarHBondContact O-N 3.47Å; K828-S832 WeakPolarHBondContact O-CB 3.26Å; K828-S832 PolarHBondContact O-N 3.17Å; K828-S832 PolarHBondContact O-OG 3.29Å; K828-H845 PolarHBondContact NZ-O 2.6Å; K828-H845 PolarHBondContact NZ-OXT 3.06Å
829	K	90.5	Very high	87.7	Confident	134 Å²	134	74.7 Å²	74.7	58%	0.583	36%	0.363	S	S	*	.	H	α-helix	trans	-67.4	-50.4	171.4	-176.1	-177.1	174.9	-173.5	0	112	E825 E826 F827 I831 S832 D833	E825-K829 VanDerWaalsContact O-CB 3.29Å; E825-K829 WeakPolarHBondContact O-CB 3.39Å; E825-K829 PolarHBondContact O-N 2.9Å; E826-K829 PolarHBondContact O-N 2.96Å; F827-K829 VanDerWaalsContact C-N 3.26Å; F827-K829 PolarHBondContact O-N 2.97Å; K829-I831 VanDerWaalsContact C-N 3.27Å; K829-I831 PolarHBondContact O-N 2.8Å; K829-S832 WeakPolarHBondContact O-CA 3.47Å; K829-S832 WeakPolarHBondContact O-CB 3.5Å; K829-S832 PolarHBondContact O-N 3.1Å; K829-D833 PolarHBondContact O-N 3.39Å
830	F	89.6	Confident	87	Confident	38 Å²	38	73 Å²	73	17%	0.167	36%	0.358	C	S	.	.	H	α-helix	trans	-57.8	-37.8	178.1	173.9	-99.8	0	0	0	113.1	F812 F814 K819 F821 E826 F827 I834 L837	F812-F830 HydrophobicContact CZ-CE1 4.21Å; F814-F830 HydrophobicContact CD1-CZ 4.03Å; F814-F830 HydrophobicContact CE1-CZ 4.39Å; K819-F830 HydrophobicContact CD-CE2 4.47Å; K819-F830 HydrophobicContact CD-CZ 4.38Å; K819-F830 HydrophobicContact CG-CZ 4.03Å; F821-F830 HydrophobicContact CE1-CB 3.57Å; F821-F830 AromaticContact CE1-CD1 3.77Å; F821-F830 HydrophobicContact CE1-CD1 3.77Å; F821-F830 HydrophobicContact CE1-CD2 4.2Å; F821-F830 AromaticContact CE1-CG 3.58Å; F821-F830 HydrophobicContact CE1-CG 3.58Å; F821-F830 HydrophobicContact CE2-CD1 4.45Å; F821-F830 HydrophobicContact CZ-CB 4.14Å; F821-F830 AromaticContact CZ-CD1 3.39Å; F821-F830 HydrophobicContact CZ-CD1 3.39Å; F821-F830 HydrophobicContact CZ-CD2 4.24Å; F821-F830 AromaticContact CZ-CE1 3.74Å; F821-F830 HydrophobicContact CZ-CE1 3.74Å; F821-F830 AromaticContact CZ-CG 3.66Å; F821-F830 HydrophobicContact CZ-CG 3.66Å; F821-F830 HydrophobicContact CZ-CZ 4.31Å; E826-F830 WeakPolarHBondContact O-CB 3.45Å; E826-F830 PolarHBondContact O-N 2.87Å; F827-F830 PolarHBondContact O-N 3.37Å; F830-I834 HydrophobicContact CD1-CD1 4.46Å; F830-I834 HydrophobicContact CD2-CD1 4.02Å; F830-I834 HydrophobicContact CE1-CD1 4Å; F830-I834 HydrophobicContact CE2-CD1 3.49Å; F830-I834 VanDerWaalsContact CE2-CD1 3.49Å; F830-I834 HydrophobicContact CG-CD1 4.48Å; F830-I834 HydrophobicContact CZ-CD1 3.48Å; F830-I834 VanDerWaalsContact CZ-CD1 3.48Å; F830-I834 WeakPolarHBondContact O-CG1 3.47Å; F830-L837 HydrophobicContact CD1-CD1 4.15Å; F830-L837 HydrophobicContact CE1-CD1 3.5Å; F830-L837 HydrophobicContact CZ-CD1 4.17Å
831	I	89.9	Confident	86.4	Confident	12 Å²	12	69.4 Å²	69.4	6%	0.062	34%	0.34	C	S	.	.	H	α-helix	trans	-63	-47.9	170.2	-69.6	171.9	0	0	0	110.7	F827 K829 D833 I834 K838 L841 I844	F827-I831 HydrophobicContact CD1-CD1 3.87Å; F827-I831 HydrophobicContact CD2-CD1 4.32Å; F827-I831 HydrophobicContact CE1-CD1 3.43Å; F827-I831 VanDerWaalsContact CE1-CD1 3.43Å; F827-I831 HydrophobicContact CE2-CD1 3.91Å; F827-I831 HydrophobicContact CE2-CG1 4.34Å; F827-I831 HydrophobicContact CG-CD1 4.31Å; F827-I831 HydrophobicContact CZ-CD1 3.47Å; F827-I831 VanDerWaalsContact CZ-CD1 3.47Å; F827-I831 HydrophobicContact CZ-CG1 4.36Å; F827-I831 WeakPolarHBondContact O-CG1 3.24Å; F827-I831 PolarHBondContact O-N 3.2Å; K829-I831 VanDerWaalsContact C-N 3.27Å; K829-I831 PolarHBondContact O-N 2.8Å; I831-D833 VanDerWaalsContact C-N 3.26Å; I831-D833 PolarHBondContact O-N 2.83Å; I831-I834 CarbonylContact O-C 3.5Å; I831-I834 PolarHBondContact O-N 2.95Å; I831-K838 HydrophobicContact CG2-CB 4.05Å; I831-K838 HydrophobicContact CG2-CG 4.39Å; I831-L841 HydrophobicContact CD1-CB 4.41Å; I831-L841 HydrophobicContact CD1-CD1 3.63Å; I831-L841 HydrophobicContact CG1-CD1 3.96Å; I831-I844 HydrophobicContact CD1-CD1 3.75Å
832	S	88.1	Confident	85.2	Confident	66 Å²	66	73.5 Å²	73.5	46%	0.462	36%	0.362	S	S	.	.	H	α-helix	trans	-61.6	-33.2	-177.9	-63.6	0	0	0	0	113.4	K828 K829 I834	K828-S832 WeakPolarHBondContact O-CB 3.26Å; K828-S832 PolarHBondContact O-N 3.17Å; K828-S832 PolarHBondContact O-OG 3.29Å; K829-S832 WeakPolarHBondContact O-CA 3.47Å; K829-S832 WeakPolarHBondContact O-CB 3.5Å; K829-S832 PolarHBondContact O-N 3.1Å; S832-I834 VanDerWaalsContact C-N 3.27Å; S832-I834 PolarHBondContact O-N 3.21Å
833	D	88.5	Confident	84	Confident	110 Å²	110	72.9 Å²	72.9	59%	0.588	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-11.3	176.8	-66.8	-24.2	0	0	0	113	K829 I831	K829-D833 PolarHBondContact O-N 3.39Å; I831-D833 VanDerWaalsContact C-N 3.26Å; I831-D833 PolarHBondContact O-N 2.83Å
834	I	88.8	Confident	82.7	Confident	39 Å²	39	70.8 Å²	70.8	20%	0.2	35%	0.353	C	S	.	.			trans	-127.6	96	-175.4	-58.3	173.5	0	0	0	110.1	F814 F830 I831 S832 Y836 L837 K838	F814-I834 HydrophobicContact CE1-CD1 4Å; F814-I834 HydrophobicContact CZ-CG2 4.14Å; F830-I834 HydrophobicContact CD1-CD1 4.46Å; F830-I834 HydrophobicContact CD2-CD1 4.02Å; F830-I834 HydrophobicContact CE1-CD1 4Å; F830-I834 HydrophobicContact CE2-CD1 3.49Å; F830-I834 VanDerWaalsContact CE2-CD1 3.49Å; F830-I834 HydrophobicContact CG-CD1 4.48Å; F830-I834 HydrophobicContact CZ-CD1 3.48Å; F830-I834 VanDerWaalsContact CZ-CD1 3.48Å; F830-I834 WeakPolarHBondContact O-CG1 3.47Å; I831-I834 CarbonylContact O-C 3.5Å; I831-I834 PolarHBondContact O-N 2.95Å; S832-I834 VanDerWaalsContact C-N 3.27Å; S832-I834 PolarHBondContact O-N 3.21Å; I834-Y836 VanDerWaalsContact C-N 3.3Å; I834-Y836 PolarHBondContact O-N 2.79Å; I834-Y836 VanDerWaalsContact O-N 3.1Å; I834-L837 HydrophobicContact CB-CB 4.23Å; I834-L837 HydrophobicContact CB-CD1 4.23Å; I834-L837 HydrophobicContact CD1-CD1 3.97Å; I834-L837 HydrophobicContact CG2-CB 4.13Å; I834-L837 HydrophobicContact CG2-CD1 4.1Å; I834-L837 HydrophobicContact CG2-CG 4.23Å; I834-L837 PolarHBondContact O-N 3.22Å; I834-K838 PolarHBondContact O-N 3.19Å
835	P	83.7	Confident	80.7	Confident	89 Å²	89	79.9 Å²	79.9	58%	0.578	40%	0.395	S	S	*	.	H	α-helix	trans	-50.6	-42.2	-174.2	-31.1	36	0	0	0	114.9	L837 K838 D839	P835-L837 PolarHBondContact O-N 3.42Å; P835-K838 WeakPolarHBondContact O-CB 3.5Å; P835-K838 PolarHBondContact O-N 3.04Å; P835-D839 PolarHBondContact O-N 2.92Å
836	Y	83.6	Confident	80.4	Confident	151 Å²	151	76.2 Å²	76.2	59%	0.592	38%	0.378	S	S	*	.	H	α-helix	trans	-59.4	-42.9	176.4	176.5	-93.1	0	0	0	113.4	I834 L840	I834-Y836 VanDerWaalsContact C-N 3.3Å; I834-Y836 PolarHBondContact O-N 2.79Å; I834-Y836 VanDerWaalsContact O-N 3.1Å; Y836-L840 HydrophobicContact CE1-CD2 3.85Å; Y836-L840 WeakPolarHBondContact O-CB 3.4Å; Y836-L840 PolarHBondContact O-N 3.35Å; Y836-L840 VanDerWaalsContact O-N 3.1Å
837	L	82.9	Confident	80	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-70	-38.2	176.4	-86.7	168.2	0	0	0	110.8	F800 F814 F830 I834 P835 L840 L841	F800-L837 HydrophobicContact CE2-CD2 4.36Å; F800-L837 HydrophobicContact CZ-CD2 4.02Å; F814-L837 HydrophobicContact CD1-CD1 4.34Å; F814-L837 HydrophobicContact CD2-CD1 3.97Å; F814-L837 HydrophobicContact CD2-CD2 4.19Å; F814-L837 HydrophobicContact CD2-CG 4.27Å; F814-L837 HydrophobicContact CE1-CD1 3.97Å; F814-L837 HydrophobicContact CE2-CD1 3.59Å; F814-L837 HydrophobicContact CE2-CD2 3.92Å; F814-L837 HydrophobicContact CE2-CG 3.62Å; F814-L837 HydrophobicContact CG-CD1 4.33Å; F814-L837 HydrophobicContact CZ-CD1 3.57Å; F814-L837 HydrophobicContact CZ-CG 3.88Å; F830-L837 HydrophobicContact CD1-CD1 4.15Å; F830-L837 HydrophobicContact CE1-CD1 3.5Å; F830-L837 HydrophobicContact CZ-CD1 4.17Å; I834-L837 HydrophobicContact CB-CB 4.23Å; I834-L837 HydrophobicContact CB-CD1 4.23Å; I834-L837 HydrophobicContact CD1-CD1 3.97Å; I834-L837 HydrophobicContact CG2-CB 4.13Å; I834-L837 HydrophobicContact CG2-CD1 4.1Å; I834-L837 HydrophobicContact CG2-CG 4.23Å; I834-L837 PolarHBondContact O-N 3.22Å; P835-L837 PolarHBondContact O-N 3.42Å; L837-L840 PolarHBondContact O-N 3.37Å; L837-L841 HydrophobicContact CB-CD1 4.49Å; L837-L841 HydrophobicContact CD2-CD1 3.79Å; L837-L841 WeakPolarHBondContact O-CB 3.45Å; L837-L841 WeakPolarHBondContact O-CG 3.37Å; L837-L841 PolarHBondContact O-N 3.42Å
838	K	84.4	Confident	79.4	Confident	93 Å²	93	79.7 Å²	79.7	40%	0.404	40%	0.397	S	S	.	.	H	α-helix	trans	-59	-52.5	175.3	-167	178.3	-175.8	174.3	0	111.7	I831 I834 P835 L840 L841 N842	I831-K838 HydrophobicContact CG2-CB 4.05Å; I831-K838 HydrophobicContact CG2-CG 4.39Å; I834-K838 PolarHBondContact O-N 3.19Å; P835-K838 WeakPolarHBondContact O-CB 3.5Å; P835-K838 PolarHBondContact O-N 3.04Å; K838-L840 VanDerWaalsContact C-N 3.3Å; K838-L840 PolarHBondContact O-N 3.11Å; K838-L841 CarbonylContact O-C 3.56Å; K838-L841 PolarHBondContact O-N 3.44Å; K838-N842 WeakPolarHBondContact O-CA 3.46Å; K838-N842 PolarHBondContact O-N 2.82Å; K838-N842 PolarHBondContact O-OD1 3.3Å
839	D	81.3	Confident	78.9	Confident	114 Å²	114	80.4 Å²	80.4	61%	0.61	40%	0.403	S	S	*	.	H	α-helix	trans	-64.5	-36.1	-178.8	-67.6	-30.5	0	0	0	112.4	P835 N842	P835-D839 PolarHBondContact O-N 2.92Å; D839-N842 WeakPolarHBondContact CA-ND2 3.42Å
840	L	78.4	Confident	78.1	Confident	44 Å²	44	77.1 Å²	77.1	23%	0.23	39%	0.392	C	S	.	.	H	α-helix	trans	-71.3	-29.4	176.3	-168.6	66.5	0	0	0	113.4	K798 F800 Y836 L837 K838	K798-L840 HydrophobicContact CB-CD1 4.48Å; K798-L840 HydrophobicContact CB-CD2 4.25Å; K798-L840 HydrophobicContact CB-CG 4.22Å; K798-L840 HydrophobicContact CD-CD1 3.78Å; K798-L840 HydrophobicContact CD-CG 4.06Å; K798-L840 VanDerWaalsContact CE-O 3.25Å; K798-L840 WeakPolarHBondContact CE-O 3.36Å; K798-L840 HydrophobicContact CG-CD1 4.26Å; K798-L840 HydrophobicContact CG-CG 4.01Å; F800-L840 HydrophobicContact CE2-CD2 3.7Å; F800-L840 HydrophobicContact CZ-CD2 3.94Å; Y836-L840 HydrophobicContact CE1-CD2 3.85Å; Y836-L840 WeakPolarHBondContact O-CB 3.4Å; Y836-L840 PolarHBondContact O-N 3.35Å; Y836-L840 VanDerWaalsContact O-N 3.1Å; L837-L840 PolarHBondContact O-N 3.37Å; K838-L840 VanDerWaalsContact C-N 3.3Å; K838-L840 PolarHBondContact O-N 3.11Å
841	L	79.1	Confident	77.4	Confident	5 Å²	5	79.7 Å²	79.7	3%	0.026	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117	18.3	-172.3	-54.9	174.1	0	0	0	113.7	I794 L795 K798 I831 L837 K838 N843 I844	I794-L841 HydrophobicContact CG2-CD2 3.73Å; L795-L841 HydrophobicContact CD2-CD1 4.08Å; L795-L841 HydrophobicContact CD2-CD2 4.08Å; K798-L841 HydrophobicContact CG-CD2 4.17Å; I831-L841 HydrophobicContact CD1-CB 4.41Å; I831-L841 HydrophobicContact CD1-CD1 3.63Å; I831-L841 HydrophobicContact CG1-CD1 3.96Å; L837-L841 HydrophobicContact CB-CD1 4.49Å; L837-L841 HydrophobicContact CD2-CD1 3.79Å; L837-L841 WeakPolarHBondContact O-CB 3.45Å; L837-L841 WeakPolarHBondContact O-CG 3.37Å; L837-L841 PolarHBondContact O-N 3.42Å; K838-L841 CarbonylContact O-C 3.56Å; K838-L841 PolarHBondContact O-N 3.44Å; L841-N843 PolarHBondContact O-N 3.22Å; L841-I844 HydrophobicContact CB-CD1 3.79Å; L841-I844 HydrophobicContact CB-CG1 4.39Å; L841-I844 HydrophobicContact CD1-CD1 4.38Å; L841-I844 WeakPolarHBondContact O-CG1 3.46Å; L841-I844 PolarHBondContact O-N 3.2Å
842	N	67.8	Low	76.5	Confident	94 Å²	94	84.5 Å²	84.5	50%	0.503	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-9.3	-178.7	-92.3	-31.3	0	0	0	115	K838 D839	K838-N842 WeakPolarHBondContact O-CA 3.46Å; K838-N842 PolarHBondContact O-N 2.82Å; K838-N842 PolarHBondContact O-OD1 3.3Å; D839-N842 WeakPolarHBondContact CA-ND2 3.42Å
843	N	59.5	Low	75.6	Confident	126 Å²	126	85.9 Å²	85.9	67%	0.674	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-4.7	175.7	-67.9	-3.9	0	0	0	114	I794 L841 H845	I794-N843 HydrophobicContact CD1-CB 4.44Å; L841-N843 PolarHBondContact O-N 3.22Å; N843-H845 PolarHBondContact O-N 3.32Å; N843-H845 VanDerWaalsContact O-N 3.13Å
844	I	59.1	Low	74.5	Confident	30 Å²	30	83.9 Å²	83.9	15%	0.154	42%	0.417	C	S	.	.			trans	-80.6	91.5	177.2	-53.9	168.5	0	0	0	109.9	I791 I794 F827 I831 L841	I791-I844 HydrophobicContact CG1-CD1 4.48Å; I791-I844 HydrophobicContact CG1-CG2 4.15Å; I794-I844 HydrophobicContact CD1-CG1 3.73Å; I794-I844 HydrophobicContact CG2-CG1 4.28Å; F827-I844 HydrophobicContact CE1-CD1 3.85Å; F827-I844 HydrophobicContact CZ-CD1 4.31Å; I831-I844 HydrophobicContact CD1-CD1 3.75Å; L841-I844 HydrophobicContact CB-CD1 3.79Å; L841-I844 HydrophobicContact CB-CG1 4.39Å; L841-I844 HydrophobicContact CD1-CD1 4.38Å; L841-I844 WeakPolarHBondContact O-CG1 3.46Å; L841-I844 PolarHBondContact O-N 3.2Å
845	H	45.4	Very low	73.2	Confident	222 Å²	222	88 Å²	88	100%	1.028	44%	0.436	S	S	*	.			trans	-73.7	0	167.5	-87.1	-61	0	0	0	112.5	K828 N843	K828-H845 PolarHBondContact NZ-O 2.6Å; K828-H845 PolarHBondContact NZ-OXT 3.06Å; N843-H845 PolarHBondContact O-N 3.32Å; N843-H845 VanDerWaalsContact O-N 3.13Å

Retrieved 845 of 845 residues in 601.3 ms (Link to these results)

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