A0A096M5U6_POEFO Loading...

2-oxoadipate dehydrogenase complex component E1

2-oxoadipate dehydrogenase (E1a) component of the 2-oxoadipate dehydrogenase complex (OADHC). Participates in the first step, rate limiting for the overall conversion of 2-oxoadipate (alpha-ketoadipate) to glutaryl-CoA and CO(2) catalyzed by the whole OADHC. Catalyzes the irreversible decarboxylation of 2-oxoadipate via the thiamine diphosphate (ThDP) cofactor and subsequent transfer of the decarboxylated acyl intermediate on an oxidized dihydrolipoyl group that is covalently amidated to the E2 enzyme (dihydrolipoyllysine-residue succinyltransferase or DLST). Can catalyze the decarboxylation of 2-oxoglutarate in vitro, but at a much lower rate than 2-oxoadipate. Responsible for the last step of L-lysine, L-hydroxylysine and L-tryptophan catabolism with the common product being 2-oxoadipate.

AlphaFold DB , UniProt , Accession A0A096M5U6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 890 aa.

						>A0A096M5U6_POEFO|A0A096M5U6
MSAVFFLKKSLSRLPPRVARQLFACSYHTERGVYGYRPKQLAGEHNQSQRDRIAALNQDHGLARLVEAYRTHGHKAAKINPLLPQQPVVDRVPEIDMLAGAVTGTLNTSGLRHFGKAQASAEEVQTYLERVYCGHLSVETGQLSSLEEREWFADRFEELKREGFSPEEKKHLAKLMLESQEFDHFLATKFATVKRYGGEGAESMMGFFYELFHQSAHSGVTDVVIGMPHRGRLNLLTGLLKFPPELMFRKMRGLSEFPDSSPAIGDVLSHLTSSVELDMGAGRPLHVTMLPNPSHLEAINPVAQGKTRARQQLRKEGDYSPEEGAYPGDQVICLQVHGDGSFTGQGIVPETLTLSNLPHYRVGGSIHLIVNNQVGYTTPSDRGRSSLYCSDVGKMVNCAVIHVNGDDAEDVLRATRLAVDYQRQFRRDVILDLICYRQWGHNELDEPFFTNPAMYRIIRSRQSVPDSYSDQLISEGLMTEAERAEIKSSYYGALNDKLSGMTLYSPPPTNLQGRWGDLVEPQARVTTWDTGVPAQLLQFVGAKSVDIPKQICLHNHLLKTHVQARLQKLEEGARLDWSTAEALAFGSLLCQGFHIRISGQDVGRGTFSQRHAMLVCQDTNDTYVPLNHISPQQTGFLEVCNSPLSEEAVLGFEYGMSIAQPRLLPIWEAQFGDFFNGAQIIFDTFISAGEAKWLLQCGMVILLPHGYDGAGPEHSSCRMERFLQMCDSKEEGVDGDTVNMAVVNPTTPAQYFHLLRRQMIRNFRKPLIVVGPKTLLRFSVRGSFSFLALLLFSFSISMRSNQRCLSIPGSGVQSERTGTGNVLQAGAGGCFCLRRKRPEGGAVLRKALLRPAEAERDVSSRPEHGADPCGGAVSVSCRASAAGAQKVSKR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.6	Very low	38.4	Very low	213 Å²	213	128.1 Å²	128.1	100%	1.049	67%	0.67	S	S	*	*				0	-16.8	0	-73.8	-170	-172.1	0	0	114.6
2	S	41.4	Very low	38.7	Very low	102 Å²	102	125.5 Å²	125.5	71%	0.713	67%	0.671	S	S	*	*	H	α-helix	trans	-78.3	-16.7	-179.4	-59	0	0	0	0	116.7
3	A	31.4	Very low	39.3	Very low	74 Å²	74	133.2 Å²	133.2	61%	0.612	69%	0.685	S	S	*	*	H	α-helix	trans	-75.8	-28.5	176	0	0	0	0	0	113.1	L7	A3-L7 WeakPolarHBondContact O-CD1 3.5Å
4	V	36.3	Very low	39.2	Very low	97 Å²	97	129.3 Å²	129.3	59%	0.588	67%	0.665	S	S	*	*	H	α-helix	trans	-75.4	-26.3	-178.2	-179.4	0	0	0	0	111.8
5	F	34.7	Very low	39.7	Very low	156 Å²	156	125.7 Å²	125.7	68%	0.684	65%	0.653	S	S	*	*	H	α-helix	trans	-80.7	-29	179.6	-99.9	-87.7	0	0	0	113.8
6	F	35.7	Very low	40	Very low	181 Å²	181	124.9 Å²	124.9	79%	0.794	66%	0.658	S	S	*	*	H	α-helix	trans	-74.8	-34.6	176.2	-101.9	-86.7	0	0	0	112.7
7	L	38.8	Very low	40.2	Very low	111 Å²	111	129.8 Å²	129.8	58%	0.581	67%	0.666	S	S	*	*	H	α-helix	trans	-66.6	-36.2	174.4	-93	114.3	0	0	0	112.8	A3 K9 S10 L11	A3-L7 WeakPolarHBondContact O-CD1 3.5Å; L7-K9 VanDerWaalsContact C-N 3.34Å; L7-K9 PolarHBondContact O-N 2.96Å; L7-S10 PolarHBondContact O-N 2.94Å; L7-L11 HydrophobicContact CB-CD1 4.21Å; L7-L11 HydrophobicContact CD2-CD1 3.98Å; L7-L11 WeakPolarHBondContact O-CB 3.32Å; L7-L11 WeakPolarHBondContact O-CD1 3.36Å; L7-L11 WeakPolarHBondContact O-CG 3.18Å; L7-L11 PolarHBondContact O-N 3.22Å
8	K	39.4	Very low	40.4	Very low	146 Å²	146	125.4 Å²	125.4	64%	0.635	65%	0.646	S	S	*	*	H	α-helix	trans	-64	-31.8	-179.1	-90.7	-174.4	174	-177.9	0	114.3
9	K	38.5	Very low	40.6	Very low	181 Å²	181	120.2 Å²	120.2	79%	0.787	62%	0.623	S	S	*	*	H	α-helix	trans	-80	-23.3	-179.3	-93.1	-175.9	174.7	-179.6	0	114.1	L7	L7-K9 VanDerWaalsContact C-N 3.34Å; L7-K9 PolarHBondContact O-N 2.96Å
10	S	44.8	Very low	40.8	Very low	89 Å²	89	125 Å²	125	62%	0.622	63%	0.633	S	S	*	*	H	α-helix	trans	-87.2	-29.6	176	-173.6	0	0	0	0	112.7	L7	L7-S10 PolarHBondContact O-N 2.94Å
11	L	42.1	Very low	40.9	Very low	59 Å²	59	122.5 Å²	122.5	31%	0.309	62%	0.619	S	S	.	*	H	α-helix	trans	-84.8	-17.6	-173.7	-75	165.6	0	0	0	114.3	L7 R13 L14 L22	L7-L11 HydrophobicContact CB-CD1 4.21Å; L7-L11 HydrophobicContact CD2-CD1 3.98Å; L7-L11 WeakPolarHBondContact O-CB 3.32Å; L7-L11 WeakPolarHBondContact O-CD1 3.36Å; L7-L11 WeakPolarHBondContact O-CG 3.18Å; L7-L11 PolarHBondContact O-N 3.22Å; L11-R13 PolarHBondContact O-N 3.28Å; L11-R13 VanDerWaalsContact O-N 3.12Å; L11-L14 HydrophobicContact CD2-CD1 4.46Å; L11-L14 PolarHBondContact O-N 3.06Å; L11-L22 HydrophobicContact CD2-CD1 4.47Å
12	S	42.2	Very low	41	Very low	97 Å²	97	117.6 Å²	117.6	68%	0.678	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	3.5	179.1	68	0	0	0	0	114.4
13	R	45.9	Very low	41.1	Very low	226 Å²	226	121.1 Å²	121.1	85%	0.853	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	-5.3	177.6	-67.4	-173.7	178.4	-172.3	-1	113.7	L11	L11-R13 PolarHBondContact O-N 3.28Å; L11-R13 VanDerWaalsContact O-N 3.12Å
14	L	38.8	Very low	41.7	Very low	78 Å²	78	120 Å²	120	41%	0.408	59%	0.59	S	S	.	*	S	Bend	trans	-98	138	178.6	-72.3	169.9	0	0	0	110.3	L11 V18 L22	L11-L14 HydrophobicContact CD2-CD1 4.46Å; L11-L14 PolarHBondContact O-N 3.06Å; L14-V18 HydrophobicContact CB-CB 4.36Å; L14-V18 HydrophobicContact CB-CG1 4.46Å; L14-V18 HydrophobicContact CD1-CG1 4.31Å; L14-V18 HydrophobicContact CD2-CG1 4.08Å; L14-L22 HydrophobicContact CD1-CD1 4.18Å
15	P	46.7	Very low	42.5	Very low	75 Å²	75	122.2 Å²	122.2	49%	0.487	61%	0.608	S	S	.	*			trans	-54.1	144.6	174.2	-22	30.4	0	0	0	111	R17 V18 A19	P15-R17 PolarHBondContact O-N 3.18Å; P15-V18 HydrophobicContact CB-CG2 4.33Å; P15-V18 HydrophobicContact CG-CG2 4.22Å; P15-V18 PolarHBondContact O-N 2.91Å; P15-A19 PolarHBondContact O-N 3.21Å
16	P	43.5	Very low	43.6	Very low	113 Å²	113	117.2 Å²	117.2	73%	0.734	59%	0.593	S	S	*	*	H	α-helix	trans	-53.6	-27.2	-179.3	-26.7	33.1	0	0	0	114.6	R20	P16-R20 PolarHBondContact O-N 3.41Å; P16-R20 VanDerWaalsContact O-N 3.09Å
17	R	44.1	Very low	44.8	Very low	209 Å²	209	115.3 Å²	115.3	79%	0.789	58%	0.581	S	S	*	*	H	α-helix	trans	-64.3	-43.9	172.8	-82.5	-175	172.6	-175.2	-2.4	112.8	P15 R20 Q21	P15-R17 PolarHBondContact O-N 3.18Å; R17-R20 PolarHBondContact O-N 3.29Å; R17-Q21 WeakPolarHBondContact O-CG 3.4Å; R17-Q21 PolarHBondContact O-N 2.94Å; R17-Q21 VanDerWaalsContact O-N 3.08Å; R17-Q21 PolarHBondContact O-OE1 3Å
18	V	44.5	Very low	46	Very low	50 Å²	50	111.9 Å²	111.9	30%	0.303	56%	0.562	S	S	.	*	H	α-helix	trans	-71	-37.5	179.2	-176.3	0	0	0	0	110.8	L14 P15 R20 Q21 L22	L14-V18 HydrophobicContact CB-CB 4.36Å; L14-V18 HydrophobicContact CB-CG1 4.46Å; L14-V18 HydrophobicContact CD1-CG1 4.31Å; L14-V18 HydrophobicContact CD2-CG1 4.08Å; P15-V18 HydrophobicContact CB-CG2 4.33Å; P15-V18 HydrophobicContact CG-CG2 4.22Å; P15-V18 PolarHBondContact O-N 2.91Å; V18-R20 PolarHBondContact O-N 3.31Å; V18-Q21 PolarHBondContact O-N 3.29Å; V18-L22 PolarHBondContact O-N 3.35Å; V18-L22 VanDerWaalsContact O-N 3.17Å
19	A	43.2	Very low	47.1	Very low	26 Å²	26	105.7 Å²	105.7	22%	0.215	54%	0.536	C	S	.	.	H	α-helix	trans	-63.5	-39.2	174.3	0	0	0	0	0	112.3	P15 F23	P15-A19 PolarHBondContact O-N 3.21Å; A19-F23 WeakPolarHBondContact O-CD2 3.46Å; A19-F23 WeakPolarHBondContact O-CE2 3.46Å
20	R	44.4	Very low	48.4	Very low	216 Å²	216	103.6 Å²	103.6	82%	0.815	53%	0.53	S	S	*	.	H	α-helix	trans	-68.7	-35.1	174.2	-101.2	-177.8	174.6	175.8	-1.5	113.2	P16 R17 V18 L22 F23	P16-R20 PolarHBondContact O-N 3.41Å; P16-R20 VanDerWaalsContact O-N 3.09Å; R17-R20 PolarHBondContact O-N 3.29Å; V18-R20 PolarHBondContact O-N 3.31Å; R20-L22 VanDerWaalsContact C-N 3.33Å; R20-F23 PolarHBondContact O-N 2.81Å
21	Q	42.4	Very low	49.7	Very low	74 Å²	74	107.7 Å²	107.7	35%	0.346	53%	0.532	S	S	.	.	H	α-helix	trans	-66.2	-32.6	177.1	-76.3	167.7	-35.1	0	0	112.5	R17 V18 F23 A24	R17-Q21 WeakPolarHBondContact O-CG 3.4Å; R17-Q21 PolarHBondContact O-N 2.94Å; R17-Q21 VanDerWaalsContact O-N 3.08Å; R17-Q21 PolarHBondContact O-OE1 3Å; V18-Q21 PolarHBondContact O-N 3.29Å; Q21-F23 VanDerWaalsContact C-N 3.25Å; Q21-F23 PolarHBondContact O-N 3.36Å; Q21-A24 PolarHBondContact O-N 3.39Å
22	L	42.7	Very low	51.6	Low	110 Å²	110	105.7 Å²	105.7	58%	0.576	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-16.6	177	-75.8	163.7	0	0	0	114.8	L11 L14 V18 R20	L11-L22 HydrophobicContact CD2-CD1 4.47Å; L14-L22 HydrophobicContact CD1-CD1 4.18Å; V18-L22 PolarHBondContact O-N 3.35Å; V18-L22 VanDerWaalsContact O-N 3.17Å; R20-L22 VanDerWaalsContact C-N 3.33Å
23	F	42.7	Very low	54	Low	175 Å²	175	102.5 Å²	102.5	77%	0.768	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-4.7	-179.2	-71.1	-71.8	0	0	0	114.3	A19 R20 Q21	A19-F23 WeakPolarHBondContact O-CD2 3.46Å; A19-F23 WeakPolarHBondContact O-CE2 3.46Å; R20-F23 PolarHBondContact O-N 2.81Å; Q21-F23 VanDerWaalsContact C-N 3.25Å; Q21-F23 PolarHBondContact O-N 3.36Å
24	A	45.4	Very low	56.4	Low	51 Å²	51	94 Å²	94	42%	0.421	47%	0.47	S	S	.	.	S	Bend	trans	-111.1	123.6	171.8	0	0	0	0	0	109	Q21 S26	Q21-A24 PolarHBondContact O-N 3.39Å; A24-S26 VanDerWaalsContact C-N 3.27Å; A24-S26 PolarHBondContact O-N 3.01Å
25	C	51.3	Low	59	Low	143 Å²	143	90.4 Å²	90.4	97%	0.966	45%	0.451	S	S	*	.			trans	-72	86.3	173.9	-169	0	0	0	0	108.9
26	S	57.9	Low	61.2	Low	52 Å²	52	89.3 Å²	89.3	36%	0.364	44%	0.437	S	S	.	.			trans	-117.1	130.1	178.1	-62.2	0	0	0	0	109.1	A24 H28 N620	A24-S26 VanDerWaalsContact C-N 3.27Å; A24-S26 PolarHBondContact O-N 3.01Å; S26-H28 PolarHBondContact O-N 3.19Å; S26-N620 PolarHBondContact O-ND2 3.46Å
27	Y	61.4	Low	63.1	Low	141 Å²	141	87.6 Å²	87.6	55%	0.553	42%	0.416	S	S	*	.			trans	-63.4	108.4	159.2	-69	-62.2	0	0	0	106.6	M613 V615 T622	Y27-M613 HydrophobicContact CD1-CE 4.27Å; Y27-M613 HydrophobicContact CE1-CE 4.03Å; Y27-V615 HydrophobicContact CD1-CG2 4.13Å; Y27-V615 HydrophobicContact CE1-CG2 3.95Å; Y27-T622 HydrophobicContact CD1-CG2 4.16Å; Y27-T622 HydrophobicContact CG-CG2 4.38Å
28	H	64.5	Low	64.9	Low	39 Å²	39	79.9 Å²	79.9	18%	0.181	39%	0.393	C	S	.	.	B	Isolated β-bridge	trans	-82.2	137.7	174.7	-65.9	-54.3	0	0	0	107.4	S26 N620 D621 T622	S26-H28 PolarHBondContact O-N 3.19Å; H28-N620 HydrophobicContact CB-CB 4.15Å; H28-N620 PolarHBondContact N-O 3.4Å; H28-N620 CarbonylContact O-C 3.48Å; H28-D621 CarbonylContact O-C 3.57Å; H28-D621 WeakPolarHBondContact O-CA 3.47Å; H28-T622 PolarHBondContact O-N 3.1Å; H28-T622 VanDerWaalsContact O-N 3.1Å
29	T	62.4	Low	66.1	Low	15 Å²	15	80.6 Å²	80.6	9%	0.092	39%	0.392	C	S	.	.			trans	-133.8	66.1	165.9	54.4	0	0	0	0	106.6	R31 G32 V33 Y36 P38 T622	T29-R31 PolarHBondContact O-N 3.26Å; T29-G32 WeakPolarHBondContact O-CA 3.23Å; T29-G32 PolarHBondContact O-N 3.07Å; T29-V33 HydrophobicContact CG2-CG1 4.17Å; T29-Y36 WeakPolarHBondContact OG1-CD1 3.19Å; T29-Y36 WeakPolarHBondContact OG1-CE1 3.27Å; T29-P38 WeakPolarHBondContact O-CG 3.49Å; T29-T622 HydrophobicContact CG2-CG2 3.78Å; T29-T622 WeakPolarHBondContact CG2-OG1 3.48Å
30	E	66.2	Low	66.7	Low	138 Å²	138	88 Å²	88	65%	0.645	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.1	-177.6	-66.6	-166.9	159.8	0	0	111.7	D621	E30-D621 PolarHBondContact N-OD1 3.15Å
31	R	71.3	Confident	67.1	Low	175 Å²	175	86 Å²	86	66%	0.66	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-3.2	176.4	-55	-178.4	-172.3	-153.9	0.6	114.7	T29	T29-R31 PolarHBondContact O-N 3.26Å
32	G	83.1	Confident	67.2	Low	16 Å²	16	86.2 Å²	86.2	17%	0.165	44%	0.441	C	S	.	.			trans	66.2	173.6	-171.8	0	0	0	0	0	114.4	T29 Y36	T29-G32 WeakPolarHBondContact O-CA 3.23Å; T29-G32 PolarHBondContact O-N 3.07Å; G32-Y36 WeakPolarHBondContact CA-O 3.46Å
33	V	92.4	Very high	67.3	Low	31 Å²	31	83.7 Å²	83.7	19%	0.188	44%	0.442	C	S	.	.	B	Isolated β-bridge	trans	-137.9	164.9	169.4	-71	0	0	0	0	108.4	T29 G35 Y36 T622 V624	T29-V33 HydrophobicContact CG2-CG1 4.17Å; V33-G35 PolarHBondContact O-N 3.29Å; V33-G35 VanDerWaalsContact O-N 3.17Å; V33-Y36 PolarHBondContact N-O 2.87Å; V33-Y36 CarbonylContact O-C 3.32Å; V33-Y36 PolarHBondContact O-N 2.65Å; V33-T622 WeakPolarHBondContact CG1-OG1 3.16Å; V33-V624 HydrophobicContact CG1-CG2 4.45Å
34	Y	95.3	Very high	67.5	Low	48 Å²	48	83.5 Å²	83.5	19%	0.188	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	126.8	176.2	-177.3	-98.5	0	0	0	110.4	Q312 Y319 F636 E638	Y34-Q312 PolarHBondContact OH-NE2 2.92Å; Y34-Y319 HydrophobicContact CE1-CD1 4.08Å; Y34-Y319 AromaticContact CE1-CE1 4Å; Y34-Y319 HydrophobicContact CE1-CE1 4Å; Y34-Y319 HydrophobicContact CE2-CD1 4.33Å; Y34-Y319 AromaticContact CZ-CD1 3.82Å; Y34-F636 HydrophobicContact CD1-CB 3.53Å; Y34-F636 HydrophobicContact CD1-CG 4.41Å; Y34-F636 HydrophobicContact CD2-CB 3.58Å; Y34-F636 AromaticContact CD2-CD1 3.9Å; Y34-F636 HydrophobicContact CD2-CD1 3.9Å; Y34-F636 AromaticContact CD2-CD2 3.95Å; Y34-F636 HydrophobicContact CD2-CD2 3.95Å; Y34-F636 AromaticContact CD2-CG 3.54Å; Y34-F636 HydrophobicContact CD2-CG 3.54Å; Y34-F636 HydrophobicContact CE1-CB 3.61Å; Y34-F636 HydrophobicContact CE1-CG 4.49Å; Y34-F636 HydrophobicContact CE2-CB 3.67Å; Y34-F636 HydrophobicContact CE2-CD1 4.4Å; Y34-F636 AromaticContact CE2-CD2 3.6Å; Y34-F636 HydrophobicContact CE2-CD2 3.6Å; Y34-F636 HydrophobicContact CE2-CE2 4.35Å; Y34-F636 AromaticContact CE2-CG 3.64Å; Y34-F636 HydrophobicContact CE2-CG 3.64Å; Y34-F636 HydrophobicContact CG-CB 3.51Å; Y34-F636 HydrophobicContact CG-CD1 4.26Å; Y34-F636 AromaticContact CG-CG 3.95Å; Y34-F636 HydrophobicContact CG-CG 3.95Å; Y34-E638 HydrophobicContact CD1-CB 4.05Å; Y34-E638 HydrophobicContact CD1-CG 4.46Å; Y34-E638 HydrophobicContact CE1-CB 4.36Å
35	G	93.5	Very high	67.9	Low	1 Å²	1	87 Å²	87	1%	0.01	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	2.2	-175.9	0	0	0	0	0	115.4	V33 R308 H359 E638	V33-G35 PolarHBondContact O-N 3.29Å; V33-G35 VanDerWaalsContact O-N 3.17Å; G35-R308 PolarHBondContact O-NH2 3.42Å; G35-H359 PolarHBondContact O-ND1 3.41Å; G35-E638 WeakPolarHBondContact CA-OE1 3.34Å
36	Y	92.8	Very high	68.6	Low	52 Å²	52	84.8 Å²	84.8	20%	0.204	43%	0.429	C	S	.	.	B	Isolated β-bridge	trans	-148	122.3	168.6	174.5	-122.6	0	0	0	112.6	T29 G32 V33 P38 P358	T29-Y36 WeakPolarHBondContact OG1-CD1 3.19Å; T29-Y36 WeakPolarHBondContact OG1-CE1 3.27Å; G32-Y36 WeakPolarHBondContact CA-O 3.46Å; V33-Y36 PolarHBondContact N-O 2.87Å; V33-Y36 CarbonylContact O-C 3.32Å; V33-Y36 PolarHBondContact O-N 2.65Å; Y36-P38 HydrophobicContact CE1-CB 4.42Å; Y36-P38 HydrophobicContact CE1-CG 4.17Å; Y36-P358 HydrophobicContact CD1-CB 4.18Å; Y36-P358 HydrophobicContact CD1-CG 4.42Å; Y36-P358 HydrophobicContact CD2-CB 3.56Å; Y36-P358 HydrophobicContact CD2-CG 3.85Å; Y36-P358 HydrophobicContact CE1-CB 4.5Å; Y36-P358 HydrophobicContact CE1-CG 4.25Å; Y36-P358 HydrophobicContact CE2-CB 3.94Å; Y36-P358 HydrophobicContact CE2-CG 3.66Å; Y36-P358 HydrophobicContact CG-CB 3.69Å; Y36-P358 HydrophobicContact CG-CG 4.23Å
37	R	84.1	Confident	69.3	Low	77 Å²	77	87.3 Å²	87.3	29%	0.291	44%	0.436	S	S	.	.			trans	-113.1	117	171.4	-67.1	178.2	176.3	-142	-15.5	109.9	D318 S320 P321 E322 R361	R37-D318 PolarHBondContact N-OD1 2.73Å; R37-S320 PolarHBondContact NE-O 3.36Å; R37-S320 VanDerWaalsContact NE-O 3.13Å; R37-S320 PolarHBondContact NH1-O 3.34Å; R37-S320 PolarHBondContact NH2-O 2.91Å; R37-P321 PolarHBondContact NH1-O 2.92Å; R37-P321 PolarHBondContact NH2-O 3.22Å; R37-E322 PolarHBondContact NH1-O 2.95Å; R37-R361 PolarHBondContact O-NH2 2.87Å
38	P	81.4	Confident	69.8	Low	48 Å²	48	83.9 Å²	83.9	31%	0.312	43%	0.432	S	S	.	.			trans	-67.7	139.2	167.5	4.3	8.2	0	0	0	108.1	T29 Y36	T29-P38 WeakPolarHBondContact O-CG 3.49Å; Y36-P38 HydrophobicContact CE1-CB 4.42Å; Y36-P38 HydrophobicContact CE1-CG 4.17Å
39	K	70.8	Confident	70.3	Confident	65 Å²	65	84 Å²	84	28%	0.283	43%	0.433	S	S	.	.			trans	-115.8	140.2	171	-67.2	-167.7	174.2	-164.8	0	108.6	L41 G324 A325 Y326	K39-L41 PolarHBondContact O-N 3.07Å; K39-G324 PolarHBondContact NZ-O 2.82Å; K39-G324 VanDerWaalsContact NZ-O 3.1Å; K39-A325 WeakPolarHBondContact CE-O 3.44Å; K39-A325 VanDerWaalsContact NZ-C 3.28Å; K39-A325 PolarHBondContact NZ-O 2.67Å; K39-Y326 HydrophobicContact CD-CD1 3.98Å; K39-Y326 HydrophobicContact CD-CE1 3.35Å; K39-Y326 HydrophobicContact CD-CE2 4.44Å; K39-Y326 VanDerWaalsContact NZ-CD1 3.28Å
40	Q	55.7	Low	71.2	Confident	181 Å²	181	89.2 Å²	89.2	85%	0.846	45%	0.451	S	S	*	.			trans	-68	123.8	160.5	-72.8	-176.8	-1.3	0	0	106.5	A42	Q40-A42 PolarHBondContact O-N 2.92Å
41	L	52.2	Low	72	Confident	174 Å²	174	87 Å²	87	91%	0.911	44%	0.443	S	S	*	.			trans	-57.1	107.1	165.6	-75.8	160.5	0	0	0	106.3	K39 G43	K39-L41 PolarHBondContact O-N 3.07Å; L41-G43 PolarHBondContact O-N 3.49Å
42	A	43.7	Very low	72.4	Confident	78 Å²	78	81 Å²	81	65%	0.645	42%	0.421	S	S	*	.			trans	-67.4	91.8	171.2	0	0	0	0	0	106.4	Q40 E44	Q40-A42 PolarHBondContact O-N 2.92Å; A42-E44 PolarHBondContact O-N 3.08Å
43	G	44.7	Very low	72.4	Confident	57 Å²	57	82.2 Å²	82.2	59%	0.588	42%	0.423	S	S	*	.			trans	-74.6	58.3	172.5	0	0	0	0	0	110.3	L41 H45	L41-G43 PolarHBondContact O-N 3.49Å; G43-H45 VanDerWaalsContact C-N 3.26Å; G43-H45 PolarHBondContact O-N 3.36Å; G43-H45 PolarHBondContact O-ND1 2.85Å
44	E	47.5	Very low	72.1	Confident	171 Å²	171	83.4 Å²	83.4	80%	0.799	44%	0.436	S	S	*	.			trans	-72.8	90.8	165	-72.7	-165.9	170.1	0	0	107.2	A42 N46	A42-E44 PolarHBondContact O-N 3.08Å; E44-N46 PolarHBondContact O-N 3.25Å
45	H	53.7	Low	71.6	Confident	125 Å²	125	81.9 Å²	81.9	58%	0.579	43%	0.433	S	S	*	.			trans	-66.1	110.9	170.7	-73.6	51.3	0	0	0	107.5	G43 Q47 R50	G43-H45 VanDerWaalsContact C-N 3.26Å; G43-H45 PolarHBondContact O-N 3.36Å; G43-H45 PolarHBondContact O-ND1 2.85Å; H45-Q47 PolarHBondContact O-N 3.42Å; H45-R50 VanDerWaalsContact CB-CZ 3.44Å; H45-R50 VanDerWaalsContact CB-NH2 3.26Å; H45-R50 PolarHBondContact CD2-NH2 2.96Å
46	N	66.5	Low	71.2	Confident	96 Å²	96	82.8 Å²	82.8	51%	0.513	44%	0.438	S	S	.	.			trans	-61.2	110	175.3	-169.5	-15.7	0	0	0	108.9	E44 S48 Q49 R50	E44-N46 PolarHBondContact O-N 3.25Å; N46-S48 PolarHBondContact O-N 2.66Å; N46-S48 WeakPolarHBondContact OD1-CB 3.44Å; N46-S48 PolarHBondContact OD1-N 3.12Å; N46-Q49 HydrophobicContact CB-CB 4.1Å; N46-Q49 WeakPolarHBondContact O-CB 3.14Å; N46-Q49 PolarHBondContact O-N 3.25Å; N46-R50 PolarHBondContact O-N 3.35Å
47	Q	71.5	Confident	70.9	Confident	106 Å²	106	83.9 Å²	83.9	50%	0.495	45%	0.447	S	S	.	.	H	α-helix	trans	-54.7	-36.6	-178.6	-176.3	61.9	38.6	0	0	111.2	H45 Q49 R50 D51	H45-Q47 PolarHBondContact O-N 3.42Å; Q47-Q49 VanDerWaalsContact C-N 3.32Å; Q47-Q49 PolarHBondContact O-N 3.21Å; Q47-R50 WeakPolarHBondContact O-CB 3.41Å; Q47-R50 PolarHBondContact O-N 2.89Å; Q47-D51 PolarHBondContact NE2-OD1 3.34Å; Q47-D51 PolarHBondContact O-N 3.4Å
48	S	72.1	Confident	71.1	Confident	69 Å²	69	86.7 Å²	86.7	48%	0.483	46%	0.463	S	S	.	.	H	α-helix	trans	-59	-40.3	175.2	178.6	0	0	0	0	112.9	N46 D51 R52	N46-S48 PolarHBondContact O-N 2.66Å; N46-S48 WeakPolarHBondContact OD1-CB 3.44Å; N46-S48 PolarHBondContact OD1-N 3.12Å; S48-D51 PolarHBondContact O-N 2.63Å; S48-R52 WeakPolarHBondContact O-CG 3.29Å; S48-R52 PolarHBondContact O-N 3.01Å
49	Q	75.7	Confident	71.4	Confident	41 Å²	41	86.2 Å²	86.2	19%	0.192	46%	0.458	C	S	.	.	H	α-helix	trans	-67.1	-40.7	177.8	-171.6	-175.4	-5.3	0	0	111.3	N46 Q47 R52 I53 E150	N46-Q49 HydrophobicContact CB-CB 4.1Å; N46-Q49 WeakPolarHBondContact O-CB 3.14Å; N46-Q49 PolarHBondContact O-N 3.25Å; Q47-Q49 VanDerWaalsContact C-N 3.32Å; Q47-Q49 PolarHBondContact O-N 3.21Å; Q49-R52 PolarHBondContact O-N 2.89Å; Q49-I53 HydrophobicContact CG-CD1 4.08Å; Q49-I53 VanDerWaalsContact O-CG1 3.28Å; Q49-I53 WeakPolarHBondContact O-CG1 3.47Å; Q49-I53 PolarHBondContact O-N 3.2Å; Q49-E150 HydrophobicContact CG-CB 4.36Å; Q49-E150 HydrophobicContact CG-CG 4.42Å; Q49-E150 VanDerWaalsContact NE2-CG 3.33Å
50	R	80.8	Confident	72.3	Confident	125 Å²	125	89.6 Å²	89.6	47%	0.472	48%	0.475	S	S	.	.	H	α-helix	trans	-62.5	-44.5	175.8	-71.3	-178.9	174.5	166.3	-2	111.8	H45 N46 Q47 R52 I53 A54	H45-R50 VanDerWaalsContact CB-CZ 3.44Å; H45-R50 VanDerWaalsContact CB-NH2 3.26Å; H45-R50 PolarHBondContact CD2-NH2 2.96Å; N46-R50 PolarHBondContact O-N 3.35Å; Q47-R50 WeakPolarHBondContact O-CB 3.41Å; Q47-R50 PolarHBondContact O-N 2.89Å; R50-R52 VanDerWaalsContact C-N 3.31Å; R50-R52 PolarHBondContact O-N 3.17Å; R50-I53 PolarHBondContact O-N 3.37Å; R50-A54 WeakPolarHBondContact O-CB 3.41Å; R50-A54 PolarHBondContact O-N 3.32Å
51	D	82.6	Confident	74	Confident	90 Å²	90	82.1 Å²	82.1	48%	0.481	45%	0.446	S	S	.	.	H	α-helix	trans	-64.9	-38.4	-179	-62.7	-19.6	0	0	0	111	Q47 S48 A54 A55	Q47-D51 PolarHBondContact NE2-OD1 3.34Å; Q47-D51 PolarHBondContact O-N 3.4Å; S48-D51 PolarHBondContact O-N 2.63Å; D51-A54 PolarHBondContact O-N 3.43Å; D51-A55 WeakPolarHBondContact O-CB 3.49Å; D51-A55 PolarHBondContact O-N 2.94Å
52	R	80.1	Confident	75.9	Confident	50 Å²	50	73.8 Å²	73.8	19%	0.189	40%	0.403	C	S	.	.	H	α-helix	trans	-63.5	-48	173.4	-76.5	177	62.2	-178.9	3.1	113	S48 Q49 R50 A54 A55 L56 R112 D154	S48-R52 WeakPolarHBondContact O-CG 3.29Å; S48-R52 PolarHBondContact O-N 3.01Å; Q49-R52 PolarHBondContact O-N 2.89Å; R50-R52 VanDerWaalsContact C-N 3.31Å; R50-R52 PolarHBondContact O-N 3.17Å; R52-A54 VanDerWaalsContact C-N 3.27Å; R52-A54 PolarHBondContact O-N 3.2Å; R52-A55 PolarHBondContact O-N 3.07Å; R52-L56 PolarHBondContact O-N 3.14Å; R52-R112 VanDerWaalsContact NH2-CB 3.28Å; R52-D154 IonicContact CZ-OD1 3.94Å; R52-D154 VanDerWaalsContact NH1-CG 3.3Å; R52-D154 IonicContact NH1-OD1 4Å; R52-D154 PolarHBondContact NH1-OD1 2.64Å; R52-D154 IonicContact NH1-OD2 3.2Å; R52-D154 PolarHBondContact NH1-OD2 2.98Å; R52-D154 IonicContact NH2-OD1 3.78Å; R52-D154 PolarHBondContact NH2-OD1 3.43Å
53	I	83.2	Confident	78.3	Confident	42 Å²	42	70.8 Å²	70.8	22%	0.215	38%	0.378	C	S	.	.	H	α-helix	trans	-61.4	-41.2	177.3	-68.3	166.9	0	0	0	109.8	Q49 R50 L56 N57 L146 E150	Q49-I53 HydrophobicContact CG-CD1 4.08Å; Q49-I53 VanDerWaalsContact O-CG1 3.28Å; Q49-I53 WeakPolarHBondContact O-CG1 3.47Å; Q49-I53 PolarHBondContact O-N 3.2Å; R50-I53 PolarHBondContact O-N 3.37Å; I53-L56 PolarHBondContact O-N 3.08Å; I53-N57 VanDerWaalsContact CG2-ND2 3.34Å; I53-N57 WeakPolarHBondContact CG2-ND2 3.08Å; I53-N57 VanDerWaalsContact O-CB 3.28Å; I53-N57 WeakPolarHBondContact O-CB 3.34Å; I53-N57 VanDerWaalsContact O-CG 3.23Å; I53-N57 PolarHBondContact O-N 3.31Å; I53-N57 PolarHBondContact O-ND2 3.46Å; I53-N57 VanDerWaalsContact O-ND2 3.11Å; I53-L146 HydrophobicContact CD1-CD2 4.06Å; I53-L146 HydrophobicContact CD1-CG 4.48Å; I53-E150 HydrophobicContact CD1-CG 4.23Å
54	A	85.8	Confident	80.6	Confident	55 Å²	55	75.6 Å²	75.6	46%	0.455	38%	0.378	S	S	.	.	H	α-helix	trans	-62.5	-42.6	175.8	0	0	0	0	0	111.9	R50 D51 R52 N57 Q58	R50-A54 WeakPolarHBondContact O-CB 3.41Å; R50-A54 PolarHBondContact O-N 3.32Å; D51-A54 PolarHBondContact O-N 3.43Å; R52-A54 VanDerWaalsContact C-N 3.27Å; R52-A54 PolarHBondContact O-N 3.2Å; A54-N57 PolarHBondContact O-N 3.48Å; A54-Q58 WeakPolarHBondContact O-CG 3.26Å; A54-Q58 PolarHBondContact O-N 2.86Å
55	A	84.5	Confident	82.9	Confident	17 Å²	17	67.6 Å²	67.6	14%	0.14	34%	0.341	C	S	.	.	H	α-helix	trans	-63.8	-45.4	176.4	0	0	0	0	0	112.2	D51 R52 N57 Q58	D51-A55 WeakPolarHBondContact O-CB 3.49Å; D51-A55 PolarHBondContact O-N 2.94Å; R52-A55 PolarHBondContact O-N 3.07Å; A55-N57 VanDerWaalsContact C-N 3.3Å; A55-N57 PolarHBondContact O-N 2.75Å; A55-Q58 WeakPolarHBondContact O-CB 3.49Å; A55-Q58 PolarHBondContact O-N 2.75Å
56	L	85.6	Confident	84.8	Confident	20 Å²	20	61.7 Å²	61.7	11%	0.105	31%	0.313	C	S	.	.	H	α-helix	trans	-61.6	-39.8	176.4	-175.5	63.5	0	0	0	111.6	R52 I53 Q58 D59 L62 A63 V66 L111	R52-L56 PolarHBondContact O-N 3.14Å; I53-L56 PolarHBondContact O-N 3.08Å; L56-Q58 PolarHBondContact O-N 3.28Å; L56-D59 PolarHBondContact O-N 3.35Å; L56-L62 HydrophobicContact CD1-CD2 3.9Å; L56-L62 HydrophobicContact CD1-CG 3.86Å; L56-A63 HydrophobicContact CG-CB 4.12Å; L56-V66 HydrophobicContact CD1-CG2 4.23Å; L56-V66 HydrophobicContact CD2-CG1 4.24Å; L56-L111 HydrophobicContact CD1-CD2 4.09Å; L56-L111 HydrophobicContact CD1-CG 4.49Å
57	N	87.1	Confident	86.1	Confident	74 Å²	74	61 Å²	61	40%	0.396	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-4.3	-179.4	-75.4	-31.2	0	0	0	114.7	I53 A54 A55 D59 H60	I53-N57 VanDerWaalsContact CG2-ND2 3.34Å; I53-N57 WeakPolarHBondContact CG2-ND2 3.08Å; I53-N57 VanDerWaalsContact O-CB 3.28Å; I53-N57 WeakPolarHBondContact O-CB 3.34Å; I53-N57 VanDerWaalsContact O-CG 3.23Å; I53-N57 PolarHBondContact O-N 3.31Å; I53-N57 PolarHBondContact O-ND2 3.46Å; I53-N57 VanDerWaalsContact O-ND2 3.11Å; A54-N57 PolarHBondContact O-N 3.48Å; A55-N57 VanDerWaalsContact C-N 3.3Å; A55-N57 PolarHBondContact O-N 2.75Å; N57-D59 PolarHBondContact O-N 2.92Å; N57-H60 PolarHBondContact O-CE1 3.06Å; N57-H60 PolarHBondContact O-ND1 2.82Å
58	Q	87.4	Confident	87.3	Confident	136 Å²	136	56.4 Å²	56.4	64%	0.636	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-26.9	170.7	-66.5	179.4	4.2	0	0	111.8	A54 A55 L56 N107	A54-Q58 WeakPolarHBondContact O-CG 3.26Å; A54-Q58 PolarHBondContact O-N 2.86Å; A55-Q58 WeakPolarHBondContact O-CB 3.49Å; A55-Q58 PolarHBondContact O-N 2.75Å; L56-Q58 PolarHBondContact O-N 3.28Å; Q58-N107 PolarHBondContact OE1-ND2 3.21Å
59	D	88.4	Confident	88.4	Confident	38 Å²	38	53.2 Å²	53.2	20%	0.203	27%	0.265	C	S	.	.	S	Bend	trans	-117.8	98.2	172.9	-172.8	-32.2	0	0	0	109.3	L56 N57 G61 L62 A63 L106	L56-D59 PolarHBondContact O-N 3.35Å; N57-D59 PolarHBondContact O-N 2.92Å; D59-G61 PolarHBondContact O-N 2.91Å; D59-G61 WeakPolarHBondContact OD1-CA 3.21Å; D59-G61 PolarHBondContact OD1-N 3.46Å; D59-L62 HydrophobicContact CB-CB 3.85Å; D59-L62 PolarHBondContact O-N 2.87Å; D59-L62 PolarHBondContact OD1-N 3.43Å; D59-A63 WeakPolarHBondContact O-CB 3.43Å; D59-A63 PolarHBondContact O-N 3.34Å; D59-L106 WeakPolarHBondContact OD2-CD2 3.36Å
60	H	90.2	Very high	89.4	Confident	136 Å²	136	51.8 Å²	51.8	63%	0.63	26%	0.258	S	S	*	.	H	α-helix	trans	-65	-25.3	-178.8	-62	-50.3	0	0	0	113.4	N57 R64	N57-H60 PolarHBondContact O-CE1 3.06Å; N57-H60 PolarHBondContact O-ND1 2.82Å; H60-R64 WeakPolarHBondContact O-CB 3.4Å; H60-R64 VanDerWaalsContact O-CG 3.23Å; H60-R64 WeakPolarHBondContact O-CG 3.37Å; H60-R64 PolarHBondContact O-N 3.4Å
61	G	91.4	Very high	90.1	Very high	24 Å²	24	47.1 Å²	47.1	25%	0.247	24%	0.243	C	C	.	.	H	α-helix	trans	-68.8	-50.8	174.9	0	0	0	0	0	110.4	D59 R64 L65 V102	D59-G61 PolarHBondContact O-N 2.91Å; D59-G61 WeakPolarHBondContact OD1-CA 3.21Å; D59-G61 PolarHBondContact OD1-N 3.46Å; G61-R64 PolarHBondContact O-N 2.96Å; G61-L65 PolarHBondContact O-N 3.44Å; G61-V102 WeakPolarHBondContact O-CG2 3.38Å
62	L	92.3	Very high	90.8	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.2	-48.5	174.6	175.8	62.2	0	0	0	112	L56 D59 R64 L65 V66 L106 N107 T108 L111 V124	L56-L62 HydrophobicContact CD1-CD2 3.9Å; L56-L62 HydrophobicContact CD1-CG 3.86Å; D59-L62 HydrophobicContact CB-CB 3.85Å; D59-L62 PolarHBondContact O-N 2.87Å; D59-L62 PolarHBondContact OD1-N 3.43Å; L62-R64 VanDerWaalsContact C-N 3.3Å; L62-R64 PolarHBondContact O-N 3.05Å; L62-L65 PolarHBondContact O-N 3.11Å; L62-L65 VanDerWaalsContact O-N 3.14Å; L62-V66 HydrophobicContact CD1-CG2 3.84Å; L62-V66 HydrophobicContact CG-CG2 4.26Å; L62-V66 VanDerWaalsContact O-CG2 3.26Å; L62-V66 WeakPolarHBondContact O-CG2 3.37Å; L62-V66 PolarHBondContact O-N 3.01Å; L62-L106 HydrophobicContact CB-CD1 4.35Å; L62-L106 HydrophobicContact CD1-CD1 4Å; L62-L106 HydrophobicContact CD2-CB 4.37Å; L62-N107 WeakPolarHBondContact CD2-O 3.35Å; L62-T108 HydrophobicContact CD2-CG2 4.46Å; L62-L111 HydrophobicContact CD1-CD1 4.34Å; L62-V124 HydrophobicContact CD1-CG1 3.55Å; L62-V124 HydrophobicContact CD1-CG2 4.42Å
63	A	92.9	Very high	91.6	Very high	14 Å²	14	42.6 Å²	42.6	12%	0.116	22%	0.221	C	C	.	.	H	α-helix	trans	-58	-43	-179.5	0	0	0	0	0	112	L56 D59 E67	L56-A63 HydrophobicContact CG-CB 4.12Å; D59-A63 WeakPolarHBondContact O-CB 3.43Å; D59-A63 PolarHBondContact O-N 3.34Å; A63-E67 WeakPolarHBondContact O-CB 3.36Å; A63-E67 PolarHBondContact O-N 2.9Å
64	R	93.9	Very high	92.3	Very high	159 Å²	159	41.1 Å²	41.1	60%	0.6	21%	0.213	S	C	*	.	H	α-helix	trans	-66.5	-39.9	176.1	-73.2	177.3	70.1	-158.4	1.6	112.5	H60 G61 L62 A68 L98	H60-R64 WeakPolarHBondContact O-CB 3.4Å; H60-R64 VanDerWaalsContact O-CG 3.23Å; H60-R64 WeakPolarHBondContact O-CG 3.37Å; H60-R64 PolarHBondContact O-N 3.4Å; G61-R64 PolarHBondContact O-N 2.96Å; L62-R64 VanDerWaalsContact C-N 3.3Å; L62-R64 PolarHBondContact O-N 3.05Å; R64-A68 WeakPolarHBondContact O-CB 3.33Å; R64-A68 PolarHBondContact O-N 3.4Å; R64-L98 HydrophobicContact CB-CD1 4.29Å; R64-L98 HydrophobicContact CB-CD2 4.44Å
65	L	94.7	Very high	92.9	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-63.3	-47.9	177.5	-172.6	64.8	0	0	0	110.7	G61 L62 E67 A68 Y69 L98 V102 V124 L128	G61-L65 PolarHBondContact O-N 3.44Å; L62-L65 PolarHBondContact O-N 3.11Å; L62-L65 VanDerWaalsContact O-N 3.14Å; L65-E67 PolarHBondContact O-N 3.41Å; L65-A68 PolarHBondContact O-N 3.16Å; L65-Y69 HydrophobicContact CD1-CD2 4.16Å; L65-Y69 HydrophobicContact CD1-CE2 3.78Å; L65-Y69 HydrophobicContact CG-CD2 4.25Å; L65-Y69 HydrophobicContact CG-CE2 4.17Å; L65-Y69 WeakPolarHBondContact O-CD2 3.47Å; L65-Y69 PolarHBondContact O-N 3.49Å; L65-Y69 VanDerWaalsContact O-N 3.08Å; L65-L98 HydrophobicContact CD1-CB 4Å; L65-V102 HydrophobicContact CB-CG2 4.45Å; L65-V124 HydrophobicContact CD2-CG1 4.34Å; L65-L128 HydrophobicContact CD2-CD1 4.26Å; L65-L128 HydrophobicContact CG-CD1 3.99Å
66	V	94.5	Very high	93.6	Very high	1 Å²	1	41 Å²	41	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-59.7	-46.6	178	172	0	0	0	0	111.2	L56 L62 A68 Y69 R70 L111 L128	L56-V66 HydrophobicContact CD1-CG2 4.23Å; L56-V66 HydrophobicContact CD2-CG1 4.24Å; L62-V66 HydrophobicContact CD1-CG2 3.84Å; L62-V66 HydrophobicContact CG-CG2 4.26Å; L62-V66 VanDerWaalsContact O-CG2 3.26Å; L62-V66 WeakPolarHBondContact O-CG2 3.37Å; L62-V66 PolarHBondContact O-N 3.01Å; V66-A68 VanDerWaalsContact C-N 3.32Å; V66-A68 PolarHBondContact O-N 3.17Å; V66-Y69 PolarHBondContact O-N 3.28Å; V66-R70 HydrophobicContact CG1-CG 4.44Å; V66-R70 WeakPolarHBondContact O-CB 3.42Å; V66-R70 WeakPolarHBondContact O-CG 3.45Å; V66-R70 PolarHBondContact O-N 3.39Å; V66-L111 HydrophobicContact CG1-CD2 4.23Å; V66-L111 HydrophobicContact CG2-CD2 3.78Å; V66-L128 HydrophobicContact CG2-CD1 4.07Å; V66-L128 HydrophobicContact CG2-CD2 4.27Å
67	E	94	Very high	94.2	Very high	83 Å²	83	40 Å²	40	39%	0.388	20%	0.198	S	C	.	.	H	α-helix	trans	-62.9	-38.3	177.4	-175.7	64.2	-177.6	0	0	112.2	A63 L65 R70 T71	A63-E67 WeakPolarHBondContact O-CB 3.36Å; A63-E67 PolarHBondContact O-N 2.9Å; L65-E67 PolarHBondContact O-N 3.41Å; E67-R70 PolarHBondContact O-N 2.91Å; E67-T71 VanDerWaalsContact O-CB 3.24Å; E67-T71 WeakPolarHBondContact O-CB 3.4Å; E67-T71 PolarHBondContact O-N 3.36Å; E67-T71 PolarHBondContact O-OG1 3.28Å; E67-T71 PolarHBondContact OE1-OG1 3.02Å
68	A	95.7	Very high	94.7	Very high	8 Å²	8	40.1 Å²	40.1	7%	0.066	20%	0.195	C	C	.	.	H	α-helix	trans	-63.5	-41.9	177	0	0	0	0	0	112.1	R64 L65 V66 H72 I95 L98	R64-A68 WeakPolarHBondContact O-CB 3.33Å; R64-A68 PolarHBondContact O-N 3.4Å; L65-A68 PolarHBondContact O-N 3.16Å; V66-A68 VanDerWaalsContact C-N 3.32Å; V66-A68 PolarHBondContact O-N 3.17Å; A68-H72 WeakPolarHBondContact O-CA 3.29Å; A68-H72 VanDerWaalsContact O-CB 3.29Å; A68-H72 WeakPolarHBondContact O-CB 3.32Å; A68-H72 PolarHBondContact O-N 3.15Å; A68-I95 HydrophobicContact CB-CG1 4.15Å; A68-L98 HydrophobicContact CB-CD1 3.58Å
69	Y	96.6	Very high	95.2	Very high	3 Å²	3	34 Å²	34	1%	0.012	17%	0.167	C	C	.	.	H	α-helix	trans	-68.8	-41.6	174	-84	-88.7	0	0	0	112.6	L65 V66 T71 G73 I95 Q125 L128 E129	L65-Y69 HydrophobicContact CD1-CD2 4.16Å; L65-Y69 HydrophobicContact CD1-CE2 3.78Å; L65-Y69 HydrophobicContact CG-CD2 4.25Å; L65-Y69 HydrophobicContact CG-CE2 4.17Å; L65-Y69 WeakPolarHBondContact O-CD2 3.47Å; L65-Y69 PolarHBondContact O-N 3.49Å; L65-Y69 VanDerWaalsContact O-N 3.08Å; V66-Y69 PolarHBondContact O-N 3.28Å; Y69-T71 VanDerWaalsContact C-N 3.27Å; Y69-T71 PolarHBondContact O-N 3.36Å; Y69-G73 VanDerWaalsContact O-CA 3.24Å; Y69-G73 WeakPolarHBondContact O-CA 3.22Å; Y69-G73 PolarHBondContact O-N 3.15Å; Y69-I95 HydrophobicContact CD1-CD1 3.96Å; Y69-I95 HydrophobicContact CD2-CG2 4.26Å; Y69-I95 HydrophobicContact CE1-CD1 4.08Å; Y69-I95 HydrophobicContact CE1-CG2 4.13Å; Y69-I95 HydrophobicContact CE2-CG2 3.55Å; Y69-I95 HydrophobicContact CG-CD1 4.19Å; Y69-I95 VanDerWaalsContact CZ-CG2 3.46Å; Y69-I95 WeakPolarHBondContact OH-CG2 3.32Å; Y69-Q125 HydrophobicContact CE2-CG 4.42Å; Y69-Q125 VanDerWaalsContact OH-CG 3.22Å; Y69-Q125 WeakPolarHBondContact OH-CG 3.37Å; Y69-L128 HydrophobicContact CD1-CB 3.77Å; Y69-L128 HydrophobicContact CD2-CB 3.73Å; Y69-L128 HydrophobicContact CD2-CD1 3.61Å; Y69-L128 HydrophobicContact CD2-CG 4.27Å; Y69-L128 HydrophobicContact CE1-CB 4.13Å; Y69-L128 HydrophobicContact CE2-CB 4.08Å; Y69-L128 HydrophobicContact CE2-CD1 4.14Å; Y69-L128 HydrophobicContact CG-CB 3.56Å; Y69-L128 HydrophobicContact CG-CD1 4.14Å; Y69-L128 HydrophobicContact CG-CG 4.36Å; Y69-E129 HydrophobicContact CE1-CB 4.33Å; Y69-E129 HydrophobicContact CE1-CG 3.48Å; Y69-E129 VanDerWaalsContact CE1-CG 3.48Å; Y69-E129 VanDerWaalsContact OH-CG 3.32Å; Y69-E129 WeakPolarHBondContact OH-CG 3.12Å; Y69-E129 PolarHBondContact OH-OE1 3.16Å; Y69-E129 VanDerWaalsContact OH-OE1 3.06Å
70	R	95.3	Very high	95.6	Very high	11 Å²	11	33.9 Å²	33.9	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-62	-33.8	176.1	-77.2	176.6	174	-165.8	-7.2	113.1	V66 E67 Y132 T140 E150 A153 E157	V66-R70 HydrophobicContact CG1-CG 4.44Å; V66-R70 WeakPolarHBondContact O-CB 3.42Å; V66-R70 WeakPolarHBondContact O-CG 3.45Å; V66-R70 PolarHBondContact O-N 3.39Å; E67-R70 PolarHBondContact O-N 2.91Å; R70-Y132 HydrophobicContact CG-CE1 4Å; R70-Y132 HydrophobicContact CG-CE2 4.05Å; R70-Y132 VanDerWaalsContact CG-OH 3.31Å; R70-Y132 WeakPolarHBondContact CG-OH 3.48Å; R70-Y132 PolarHBondContact NE-OH 2.79Å; R70-T140 PolarHBondContact O-OG1 3.47Å; R70-E150 IonicContact CZ-OE2 2.73Å; R70-E150 IonicContact NH1-OE1 3.89Å; R70-E150 IonicContact NH1-OE2 2.71Å; R70-E150 PolarHBondContact NH1-OE2 2.9Å; R70-A153 HydrophobicContact CG-CB 4.4Å; R70-A153 VanDerWaalsContact CZ-CB 3.5Å; R70-E157 IonicContact CZ-OE1 2.96Å; R70-E157 IonicContact NE-OE1 2.75Å; R70-E157 IonicContact NH2-OE1 3.17Å; R70-E157 PolarHBondContact NH2-OE1 2.88Å
71	T	95.3	Very high	96	Very high	26 Å²	26	27.6 Å²	27.6	16%	0.16	14%	0.138	C	C	.	.	H	α-helix	trans	-93	-31.8	-176.3	-51.8	0	0	0	0	112.8	E67 Y69 H74	E67-T71 VanDerWaalsContact O-CB 3.24Å; E67-T71 WeakPolarHBondContact O-CB 3.4Å; E67-T71 PolarHBondContact O-N 3.36Å; E67-T71 PolarHBondContact O-OG1 3.28Å; E67-T71 PolarHBondContact OE1-OG1 3.02Å; Y69-T71 VanDerWaalsContact C-N 3.27Å; Y69-T71 PolarHBondContact O-N 3.36Å; T71-H74 PolarHBondContact O-CD2 2.91Å; T71-H74 VanDerWaalsContact O-CD2 3.27Å; T71-H74 PolarHBondContact O-NE2 3.16Å; T71-H74 VanDerWaalsContact O-NE2 3.15Å
72	H	97.6	Very high	96.3	Very high	45 Å²	45	27 Å²	27	21%	0.208	13%	0.129	C	C	.	.	H	α-helix	trans	-129	-6.1	-169.6	-55.1	-55.3	0	0	0	114.7	A68 H74 K75 V92 E94 I95	A68-H72 WeakPolarHBondContact O-CA 3.29Å; A68-H72 VanDerWaalsContact O-CB 3.29Å; A68-H72 WeakPolarHBondContact O-CB 3.32Å; A68-H72 PolarHBondContact O-N 3.15Å; H72-H74 PolarHBondContact O-N 3.31Å; H72-K75 HydrophobicContact CB-CD 4.49Å; H72-K75 WeakPolarHBondContact O-CB 3.45Å; H72-K75 PolarHBondContact O-N 3.4Å; H72-V92 HydrophobicContact CB-CG1 3.77Å; H72-E94 HydrophobicContact CB-CB 4.47Å; H72-E94 WeakPolarHBondContact CD2-CB 3.34Å; H72-E94 IonicContact CE1-OE1 3.77Å; H72-E94 IonicContact ND1-OE1 3.79Å; H72-I95 HydrophobicContact CB-CD1 4.4Å; H72-I95 HydrophobicContact CB-CG1 4.45Å
73	G	97.6	Very high	96.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-59.9	-30.5	-179.6	0	0	0	0	0	113.4	Y69 K75 A76 A77 Y132	Y69-G73 VanDerWaalsContact O-CA 3.24Å; Y69-G73 WeakPolarHBondContact O-CA 3.22Å; Y69-G73 PolarHBondContact O-N 3.15Å; G73-K75 PolarHBondContact O-N 2.9Å; G73-K75 VanDerWaalsContact O-N 3.12Å; G73-A76 CarbonylContact O-C 3.58Å; G73-A76 WeakPolarHBondContact O-CA 3.32Å; G73-A76 PolarHBondContact O-N 3.3Å; G73-A77 PolarHBondContact O-N 3.01Å; G73-Y132 CarbonylContact C-O 3.59Å
74	H	98.2	Very high	96.1	Very high	11 Å²	11	32.4 Å²	32.4	5%	0.051	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-56.6	-27.2	173.7	71	95.7	0	0	0	113.8	T71 H72 A76 A77 E139 Y388	T71-H74 PolarHBondContact O-CD2 2.91Å; T71-H74 VanDerWaalsContact O-CD2 3.27Å; T71-H74 PolarHBondContact O-NE2 3.16Å; T71-H74 VanDerWaalsContact O-NE2 3.15Å; H72-H74 PolarHBondContact O-N 3.31Å; H74-A76 VanDerWaalsContact C-N 3.29Å; H74-A76 PolarHBondContact O-N 3.05Å; H74-A77 WeakPolarHBondContact O-CB 3.39Å; H74-A77 PolarHBondContact O-N 3.12Å; H74-E139 HydrophobicContact CB-CG 4.47Å; H74-E139 IonicContact CE1-OE2 3.76Å; H74-E139 PolarHBondContact CE1-OE2 2.94Å; H74-E139 IonicContact ND1-OE2 2.86Å; H74-E139 IonicContact NE2-OE2 3.51Å; H74-Y388 AromaticContact CE1-CE2 3.61Å; H74-Y388 AromaticContact ND1-CE2 3.37Å; H74-Y388 WeakPolarHBondContact ND1-CE2 3.38Å; H74-Y388 AromaticContact ND1-CZ 3.51Å; H74-Y388 PolarHBondContact ND1-OH 2.82Å; H74-Y388 PolarHBondContact O-OH 3.27Å
75	K	98.3	Very high	95.8	Very high	45 Å²	45	32 Å²	32	20%	0.196	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-71.7	-25.3	175	-56.7	179.2	-173.5	172	0	112	H72 G73 V88 V89 V92 E94	H72-K75 HydrophobicContact CB-CD 4.49Å; H72-K75 WeakPolarHBondContact O-CB 3.45Å; H72-K75 PolarHBondContact O-N 3.4Å; G73-K75 PolarHBondContact O-N 2.9Å; G73-K75 VanDerWaalsContact O-N 3.12Å; K75-V88 VanDerWaalsContact O-CB 3.29Å; K75-V88 WeakPolarHBondContact O-CB 3.45Å; K75-V88 PolarHBondContact O-N 2.96Å; K75-V89 HydrophobicContact CB-CG2 3.78Å; K75-V89 WeakPolarHBondContact O-CG2 3.31Å; K75-V89 PolarHBondContact O-N 3.39Å; K75-V92 HydrophobicContact CB-CG2 3.77Å; K75-V92 HydrophobicContact CD-CG1 4.37Å; K75-E94 IonicContact NZ-OE1 3.12Å; K75-E94 PolarHBondContact NZ-OE1 3.02Å; K75-E94 IonicContact NZ-OE2 2.64Å
76	A	97.9	Very high	95.9	Very high	24 Å²	24	36.8 Å²	36.8	20%	0.198	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-95.6	3.4	175.7	0	0	0	0	0	113.1	G73 H74 P87 V92 C133	G73-A76 CarbonylContact O-C 3.58Å; G73-A76 WeakPolarHBondContact O-CA 3.32Å; G73-A76 PolarHBondContact O-N 3.3Å; H74-A76 VanDerWaalsContact C-N 3.29Å; H74-A76 PolarHBondContact O-N 3.05Å; A76-P87 WeakPolarHBondContact O-CB 3.45Å; A76-V92 HydrophobicContact CB-CG2 3.87Å; A76-C133 HydrophobicContact CB-CB 4.09Å
77	A	98.1	Very high	96	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.			trans	-73.6	148.2	-177	0	0	0	0	0	112.6	G73 H74 I79 P87 V88 G134	G73-A77 PolarHBondContact O-N 3.01Å; H74-A77 WeakPolarHBondContact O-CB 3.39Å; H74-A77 PolarHBondContact O-N 3.12Å; A77-I79 HydrophobicContact CB-CG2 3.83Å; A77-I79 PolarHBondContact O-N 3.2Å; A77-P87 CarbonylContact O-C 3.54Å; A77-P87 WeakPolarHBondContact O-CA 3.24Å; A77-V88 WeakPolarHBondContact O-CG2 3.45Å; A77-V88 PolarHBondContact O-N 3.21Å; A77-G134 WeakPolarHBondContact CB-O 3.29Å
78	K	98	Very high	96.1	Very high	77 Å²	77	37 Å²	37	34%	0.335	19%	0.193	S	C	.	.			trans	-98.5	63.9	179.5	-63	136.4	-173.4	167.4	0	109.8	G134 H135 N404	K78-G134 PolarHBondContact N-O 3.26Å; K78-H135 PolarHBondContact O-CD2 3.21Å; K78-N404 PolarHBondContact O-ND2 3.28Å
79	I	98.1	Very high	96.1	Very high	7 Å²	7	38.8 Å²	38.8	4%	0.036	20%	0.203	C	C	.	.			trans	-93.9	-7	-171.3	54.1	170.8	0	0	0	113.8	A77 P81 V88 Y388 H402 N404 I434	A77-I79 HydrophobicContact CB-CG2 3.83Å; A77-I79 PolarHBondContact O-N 3.2Å; I79-P81 WeakPolarHBondContact O-CD 3.45Å; I79-V88 HydrophobicContact CD1-CG2 3.58Å; I79-V88 HydrophobicContact CG1-CG2 3.55Å; I79-Y388 HydrophobicContact CD1-CE1 4.16Å; I79-H402 HydrophobicContact CD1-CB 3.72Å; I79-H402 HydrophobicContact CG2-CB 4.44Å; I79-N404 WeakPolarHBondContact O-CA 3.34Å; I79-I434 HydrophobicContact CB-CD1 4.24Å; I79-I434 HydrophobicContact CD1-CD1 3.93Å; I79-I434 HydrophobicContact CD1-CG1 4.46Å; I79-I434 HydrophobicContact CG1-CD1 4.43Å; I79-I434 WeakPolarHBondContact O-CB 3.12Å
80	N	98.2	Very high	95.9	Very high	36 Å²	36	45.6 Å²	45.6	19%	0.193	24%	0.24	C	C	.	.			trans	-94.6	114.1	-176.1	-167.2	-25.9	0	0	0	111.5	L82 L83 Q373	N80-L82 PolarHBondContact O-N 3.34Å; N80-L82 WeakPolarHBondContact OD1-CB 3.28Å; N80-L82 PolarHBondContact OD1-N 2.89Å; N80-L83 HydrophobicContact CB-CB 4.4Å; N80-L83 CarbonylContact O-C 3.59Å; N80-L83 PolarHBondContact O-N 2.87Å; N80-Q373 PolarHBondContact ND2-OE1 3.5Å; N80-Q373 PolarHBondContact OD1-NE2 2.94Å; N80-Q373 PolarHBondContact OD1-OE1 3.35Å
81	P	97.6	Very high	95.9	Very high	4 Å²	4	54.3 Å²	54.3	3%	0.026	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-22	-180	27.4	-34.8	0	0	0	113.1	I79 L83 N404 D406 I434 Y436 R461	I79-P81 WeakPolarHBondContact O-CD 3.45Å; P81-L83 VanDerWaalsContact C-N 3.29Å; P81-N404 VanDerWaalsContact CB-OD1 3.31Å; P81-N404 WeakPolarHBondContact CB-OD1 3.25Å; P81-D406 WeakPolarHBondContact CA-OD2 3.43Å; P81-D406 HydrophobicContact CB-CB 4.19Å; P81-D406 WeakPolarHBondContact CB-OD1 3.42Å; P81-D406 WeakPolarHBondContact CB-OD2 3.27Å; P81-I434 WeakPolarHBondContact CD-O 3.4Å; P81-I434 WeakPolarHBondContact CG-O 3.46Å; P81-Y436 HydrophobicContact CG-CD1 4.39Å; P81-R461 VanDerWaalsContact C-NH1 3.34Å; P81-R461 PolarHBondContact O-NH1 3.23Å
82	L	97.4	Very high	95.9	Very high	12 Å²	12	53.4 Å²	53.4	6%	0.063	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-15.5	176	-58.7	-177.8	0	0	0	112.5	N80 Y436 M454 I457 I458	N80-L82 PolarHBondContact O-N 3.34Å; N80-L82 WeakPolarHBondContact OD1-CB 3.28Å; N80-L82 PolarHBondContact OD1-N 2.89Å; L82-Y436 HydrophobicContact CD2-CD1 4.41Å; L82-Y436 HydrophobicContact CD2-CG 4.13Å; L82-M454 HydrophobicContact CD1-CE 4.3Å; L82-M454 HydrophobicContact CD1-CG 3.76Å; L82-M454 HydrophobicContact CD1-SD 4.46Å; L82-I457 HydrophobicContact CB-CG2 4.32Å; L82-I457 HydrophobicContact CD2-CG2 4.14Å; L82-I458 HydrophobicContact CD2-CD1 4.38Å; L82-I458 HydrophobicContact CD2-CG1 3.62Å
83	L	94.7	Very high	95.8	Very high	66 Å²	66	54.4 Å²	54.4	35%	0.346	28%	0.277	S	S	.	.	S	Bend	trans	-139.2	61.4	-178.2	-59.7	170.7	0	0	0	109.6	N80 P81 Q85 Q86	N80-L83 HydrophobicContact CB-CB 4.4Å; N80-L83 CarbonylContact O-C 3.59Å; N80-L83 PolarHBondContact O-N 2.87Å; P81-L83 VanDerWaalsContact C-N 3.29Å; L83-Q85 PolarHBondContact O-N 3.35Å; L83-Q86 HydrophobicContact CB-CB 4.05Å; L83-Q86 HydrophobicContact CB-CG 4.3Å; L83-Q86 PolarHBondContact O-N 3.06Å
84	P	85.6	Confident	95.7	Very high	60 Å²	60	57.7 Å²	57.7	39%	0.39	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-17.5	-162.9	24.6	-35.8	0	0	0	115.1
85	Q	89.6	Confident	95.6	Very high	150 Å²	150	57.5 Å²	57.5	70%	0.701	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-2.8	178.8	-60.5	-57.4	-41.9	0	0	113.2	L83	L83-Q85 PolarHBondContact O-N 3.35Å
86	Q	95.1	Very high	95.3	Very high	103 Å²	103	59.2 Å²	59.2	48%	0.481	30%	0.304	S	S	.	.	S	Bend	trans	-98.1	134.1	-178.1	-61.5	-172.8	-6.2	0	0	110.5	L83	L83-Q86 HydrophobicContact CB-CB 4.05Å; L83-Q86 HydrophobicContact CB-CG 4.3Å; L83-Q86 PolarHBondContact O-N 3.06Å
87	P	96.5	Very high	94.9	Very high	40 Å²	40	65.2 Å²	65.2	26%	0.26	33%	0.329	S	S	.	.			trans	-66.6	162.5	169.3	31.2	-35.5	0	0	0	110.8	A76 A77 V89	A76-P87 WeakPolarHBondContact O-CB 3.45Å; A77-P87 CarbonylContact O-C 3.54Å; A77-P87 WeakPolarHBondContact O-CA 3.24Å; P87-V89 VanDerWaalsContact C-N 3.26Å; P87-V89 WeakPolarHBondContact CB-O 3.38Å; P87-V89 VanDerWaalsContact CG-O 3.29Å; P87-V89 WeakPolarHBondContact CG-O 3.31Å; P87-V89 PolarHBondContact O-N 3.12Å
88	V	96.4	Very high	94.5	Very high	49 Å²	49	66.1 Å²	66.1	30%	0.297	33%	0.334	S	S	.	.	S	Bend	trans	-57.2	-41.5	174.6	-175.9	0	0	0	0	111.5	K75 A77 I79 L387 Y388	K75-V88 VanDerWaalsContact O-CB 3.29Å; K75-V88 WeakPolarHBondContact O-CB 3.45Å; K75-V88 PolarHBondContact O-N 2.96Å; A77-V88 WeakPolarHBondContact O-CG2 3.45Å; A77-V88 PolarHBondContact O-N 3.21Å; I79-V88 HydrophobicContact CD1-CG2 3.58Å; I79-V88 HydrophobicContact CG1-CG2 3.55Å; V88-L387 HydrophobicContact CG1-CD1 4.02Å; V88-L387 HydrophobicContact CG1-CD2 4.15Å; V88-L387 HydrophobicContact CG1-CG 4.34Å; V88-Y388 HydrophobicContact CG1-CE1 4.2Å
89	V	96.1	Very high	93.6	Very high	46 Å²	46	63.4 Å²	63.4	28%	0.279	33%	0.326	S	S	.	.	S	Bend	trans	-130.4	144.9	170.4	-52.6	0	0	0	0	110.3	K75 P87 R91 V92	K75-V89 HydrophobicContact CB-CG2 3.78Å; K75-V89 WeakPolarHBondContact O-CG2 3.31Å; K75-V89 PolarHBondContact O-N 3.39Å; P87-V89 VanDerWaalsContact C-N 3.26Å; P87-V89 WeakPolarHBondContact CB-O 3.38Å; P87-V89 VanDerWaalsContact CG-O 3.29Å; P87-V89 WeakPolarHBondContact CG-O 3.31Å; P87-V89 PolarHBondContact O-N 3.12Å; V89-R91 VanDerWaalsContact C-N 3.29Å; V89-R91 WeakPolarHBondContact CG2-O 3.24Å; V89-R91 PolarHBondContact O-N 3.38Å; V89-V92 HydrophobicContact CG2-CG2 3.84Å
90	D	93.3	Very high	92.5	Very high	145 Å²	145	66.3 Å²	66.3	78%	0.775	36%	0.358	S	S	*	.	S	Bend	trans	-63.7	-31	-174.3	-67.1	-33	0	0	0	114.2
91	R	93.7	Very high	91.9	Very high	195 Å²	195	68.1 Å²	68.1	74%	0.736	38%	0.377	S	S	*	.			trans	-141.9	141.2	180	-69.5	-166.2	-179.7	-163.8	-1.7	110.6	V89 P93	V89-R91 VanDerWaalsContact C-N 3.29Å; V89-R91 WeakPolarHBondContact CG2-O 3.24Å; V89-R91 PolarHBondContact O-N 3.38Å; R91-P93 WeakPolarHBondContact O-CD 3.19Å
92	V	96.9	Very high	91.4	Very high	6 Å²	6	68.6 Å²	68.6	4%	0.036	38%	0.38	C	S	.	.			trans	-115.6	91.7	176.8	-175.9	0	0	0	0	107.7	H72 K75 A76 V89 E94 I95 D96	H72-V92 HydrophobicContact CB-CG1 3.77Å; K75-V92 HydrophobicContact CB-CG2 3.77Å; K75-V92 HydrophobicContact CD-CG1 4.37Å; A76-V92 HydrophobicContact CB-CG2 3.87Å; V89-V92 HydrophobicContact CG2-CG2 3.84Å; V92-E94 PolarHBondContact O-N 3.09Å; V92-E94 VanDerWaalsContact O-N 3.08Å; V92-I95 HydrophobicContact CB-CB 4.27Å; V92-I95 HydrophobicContact CB-CD1 4.19Å; V92-I95 HydrophobicContact CB-CG1 4.36Å; V92-I95 HydrophobicContact CG1-CB 4.17Å; V92-I95 HydrophobicContact CG1-CD1 3.81Å; V92-I95 HydrophobicContact CG1-CG1 3.82Å; V92-I95 PolarHBondContact O-N 3.28Å; V92-D96 PolarHBondContact O-N 3Å
93	P	95.4	Very high	91	Very high	66 Å²	66	73 Å²	73	43%	0.429	41%	0.408	S	S	.	.	H	α-helix	trans	-53.8	-35	-173.7	-27.3	34.9	0	0	0	113.5	R91 I95 D96 M97	R91-P93 WeakPolarHBondContact O-CD 3.19Å; P93-I95 PolarHBondContact O-N 3.18Å; P93-D96 PolarHBondContact O-N 3.38Å; P93-M97 HydrophobicContact CB-CE 4.32Å; P93-M97 WeakPolarHBondContact O-CB 3.34Å; P93-M97 WeakPolarHBondContact O-CG 3.46Å; P93-M97 PolarHBondContact O-N 3.27Å; P93-M97 VanDerWaalsContact O-N 3.07Å
94	E	94.9	Very high	90.7	Very high	70 Å²	70	71.8 Å²	71.8	33%	0.327	41%	0.412	S	S	.	.	H	α-helix	trans	-64.3	-29.1	179.6	-55.9	95.9	142.2	0	0	112.8	H72 K75 V92 L98	H72-E94 HydrophobicContact CB-CB 4.47Å; H72-E94 WeakPolarHBondContact CD2-CB 3.34Å; H72-E94 IonicContact CE1-OE1 3.77Å; H72-E94 IonicContact ND1-OE1 3.79Å; K75-E94 IonicContact NZ-OE1 3.12Å; K75-E94 PolarHBondContact NZ-OE1 3.02Å; K75-E94 IonicContact NZ-OE2 2.64Å; V92-E94 PolarHBondContact O-N 3.09Å; V92-E94 VanDerWaalsContact O-N 3.08Å; E94-L98 WeakPolarHBondContact O-CD1 3.41Å
95	I	95	Very high	91	Very high	7 Å²	7	73.8 Å²	73.8	4%	0.036	42%	0.423	C	S	.	.	H	α-helix	trans	-89.5	-47.5	175.3	-64.8	175.1	0	0	0	110.2	A68 Y69 H72 V92 P93 M97 L98 A99	A68-I95 HydrophobicContact CB-CG1 4.15Å; Y69-I95 HydrophobicContact CD1-CD1 3.96Å; Y69-I95 HydrophobicContact CD2-CG2 4.26Å; Y69-I95 HydrophobicContact CE1-CD1 4.08Å; Y69-I95 HydrophobicContact CE1-CG2 4.13Å; Y69-I95 HydrophobicContact CE2-CG2 3.55Å; Y69-I95 HydrophobicContact CG-CD1 4.19Å; Y69-I95 VanDerWaalsContact CZ-CG2 3.46Å; Y69-I95 WeakPolarHBondContact OH-CG2 3.32Å; H72-I95 HydrophobicContact CB-CD1 4.4Å; H72-I95 HydrophobicContact CB-CG1 4.45Å; V92-I95 HydrophobicContact CB-CB 4.27Å; V92-I95 HydrophobicContact CB-CD1 4.19Å; V92-I95 HydrophobicContact CB-CG1 4.36Å; V92-I95 HydrophobicContact CG1-CB 4.17Å; V92-I95 HydrophobicContact CG1-CD1 3.81Å; V92-I95 HydrophobicContact CG1-CG1 3.82Å; V92-I95 PolarHBondContact O-N 3.28Å; P93-I95 PolarHBondContact O-N 3.18Å; I95-M97 VanDerWaalsContact C-N 3.26Å; I95-M97 PolarHBondContact O-N 2.96Å; I95-L98 PolarHBondContact O-N 3.43Å; I95-A99 PolarHBondContact O-N 2.96Å
96	D	92.8	Very high	91.1	Very high	81 Å²	81	67 Å²	67	43%	0.433	39%	0.391	S	S	.	.	H	α-helix	trans	-57.1	-38.7	-176.2	-67.6	-14.1	0	0	0	112.1	V92 P93 L98	V92-D96 PolarHBondContact O-N 3Å; P93-D96 PolarHBondContact O-N 3.38Å; D96-L98 PolarHBondContact O-N 3.19Å
97	M	90.4	Very high	90.8	Very high	149 Å²	149	64.2 Å²	64.2	73%	0.734	38%	0.38	S	S	*	.	H	α-helix	trans	-66.4	-20.1	177.8	-72.2	-178.5	-171.6	0	0	113.6	P93 I95	P93-M97 HydrophobicContact CB-CE 4.32Å; P93-M97 WeakPolarHBondContact O-CB 3.34Å; P93-M97 WeakPolarHBondContact O-CG 3.46Å; P93-M97 PolarHBondContact O-N 3.27Å; P93-M97 VanDerWaalsContact O-N 3.07Å; I95-M97 VanDerWaalsContact C-N 3.26Å; I95-M97 PolarHBondContact O-N 2.96Å
98	L	88.6	Confident	90.5	Very high	19 Å²	19	62.3 Å²	62.3	10%	0.099	37%	0.367	C	S	.	.	H	α-helix	trans	-102	-38.1	-177.9	-66.1	174.8	0	0	0	112.6	R64 L65 A68 E94 I95 D96 G100 A101 V102	R64-L98 HydrophobicContact CB-CD1 4.29Å; R64-L98 HydrophobicContact CB-CD2 4.44Å; L65-L98 HydrophobicContact CD1-CB 4Å; A68-L98 HydrophobicContact CB-CD1 3.58Å; E94-L98 WeakPolarHBondContact O-CD1 3.41Å; I95-L98 PolarHBondContact O-N 3.43Å; D96-L98 PolarHBondContact O-N 3.19Å; L98-G100 VanDerWaalsContact C-N 3.26Å; L98-G100 PolarHBondContact O-N 3.4Å; L98-A101 PolarHBondContact O-N 2.75Å; L98-V102 PolarHBondContact O-N 3.01Å
99	A	78.9	Confident	90	Very high	21 Å²	21	63 Å²	63	17%	0.174	37%	0.374	C	S	.	.	H	α-helix	trans	-56.1	-37.1	-175.9	0	0	0	0	0	113.2	I95	I95-A99 PolarHBondContact O-N 2.96Å
100	G	75.8	Confident	89.3	Confident	68 Å²	68	61.1 Å²	61.1	70%	0.701	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-12.2	175.8	0	0	0	0	0	115.4	L98	L98-G100 VanDerWaalsContact C-N 3.26Å; L98-G100 PolarHBondContact O-N 3.4Å
101	A	85.4	Confident	89	Confident	73 Å²	73	54.5 Å²	54.5	60%	0.603	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-27.2	-177.1	0	0	0	0	0	112.7	L98	L98-A101 PolarHBondContact O-N 2.75Å
102	V	87.4	Confident	88.6	Confident	14 Å²	14	51.8 Å²	51.8	9%	0.085	32%	0.319	C	S	.	.			trans	-90.1	114.3	175.8	-177.2	0	0	0	0	108.4	G61 L65 L98 L106 A121	G61-V102 WeakPolarHBondContact O-CG2 3.38Å; L65-V102 HydrophobicContact CB-CG2 4.45Å; L98-V102 PolarHBondContact O-N 3.01Å; V102-L106 HydrophobicContact CG1-CD1 3.73Å; V102-L106 HydrophobicContact CG1-CD2 3.77Å; V102-L106 HydrophobicContact CG1-CG 4.41Å; V102-A121 HydrophobicContact CG1-CB 4.4Å; V102-A121 WeakPolarHBondContact O-CB 3.29Å
103	T	88.7	Confident	88.2	Confident	104 Å²	104	52.3 Å²	52.3	64%	0.638	32%	0.321	S	S	*	.			trans	-136.3	163.3	-176	59.5	0	0	0	0	111
104	G	89	Confident	87.9	Confident	42 Å²	42	50.8 Å²	50.8	43%	0.433	31%	0.307	S	S	.	.	S	Bend	trans	85.4	-162.5	177.3	0	0	0	0	0	113.9	S120 A121	G104-S120 WeakPolarHBondContact O-CA 3.4Å; G104-A121 PolarHBondContact O-N 3.45Å
105	T	91.3	Very high	87.4	Confident	102 Å²	102	50.9 Å²	50.9	63%	0.626	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	123.8	-179.6	-54.1	0	0	0	0	110.4	Q118 A119	T105-Q118 HydrophobicContact CG2-CB 3.92Å; T105-Q118 HydrophobicContact CG2-CG 4.48Å; T105-A119 CarbonylContact C-O 3.27Å; T105-A119 WeakPolarHBondContact CA-O 3.37Å
106	L	91.3	Very high	87.1	Confident	6 Å²	6	55.6 Å²	55.6	3%	0.031	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	147.9	-176.8	-51.8	176	0	0	0	110.5	D59 L62 V102 T108 Q118 A119 A121 V124	D59-L106 WeakPolarHBondContact OD2-CD2 3.36Å; L62-L106 HydrophobicContact CB-CD1 4.35Å; L62-L106 HydrophobicContact CD1-CD1 4Å; L62-L106 HydrophobicContact CD2-CB 4.37Å; V102-L106 HydrophobicContact CG1-CD1 3.73Å; V102-L106 HydrophobicContact CG1-CD2 3.77Å; V102-L106 HydrophobicContact CG1-CG 4.41Å; L106-T108 PolarHBondContact O-N 2.78Å; L106-Q118 VanDerWaalsContact O-CA 3.27Å; L106-Q118 WeakPolarHBondContact O-CA 3.38Å; L106-A119 PolarHBondContact N-O 2.7Å; L106-A119 PolarHBondContact O-N 2.89Å; L106-A121 HydrophobicContact CD1-CB 4.06Å; L106-V124 HydrophobicContact CD1-CB 4.28Å; L106-V124 HydrophobicContact CD1-CG2 4.09Å
107	N	89.8	Confident	86.8	Confident	45 Å²	45	55 Å²	55	24%	0.241	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	104.3	171.3	179.4	-4.8	0	0	0	110	Q58 L62 S109 A117	Q58-N107 PolarHBondContact OE1-ND2 3.21Å; L62-N107 WeakPolarHBondContact CD2-O 3.35Å; N107-S109 VanDerWaalsContact OD1-CB 3.29Å; N107-S109 WeakPolarHBondContact OD1-CB 3.43Å; N107-S109 PolarHBondContact OD1-N 3.41Å; N107-S109 VanDerWaalsContact OD1-N 3.12Å; N107-S109 PolarHBondContact OD1-OG 2.98Å; N107-A117 PolarHBondContact OD1-O 3.41Å
108	T	89.4	Confident	86.8	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	35%	0.348	C	S	.	.			trans	-94.4	11.7	-174.7	51.9	0	0	0	0	113.8	L62 L106 G110 L111 F114 K116 A117 Q118 A119 V124	L62-T108 HydrophobicContact CD2-CG2 4.46Å; L106-T108 PolarHBondContact O-N 2.78Å; T108-G110 PolarHBondContact O-N 2.89Å; T108-G110 VanDerWaalsContact O-N 3.16Å; T108-L111 HydrophobicContact CG2-CD1 4.13Å; T108-L111 WeakPolarHBondContact O-CB 3.49Å; T108-L111 PolarHBondContact O-N 3.34Å; T108-F114 HydrophobicContact CG2-CD1 3.99Å; T108-F114 HydrophobicContact CG2-CE1 3.81Å; T108-F114 HydrophobicContact CG2-CZ 4.39Å; T108-K116 PolarHBondContact OG1-O 3.04Å; T108-A117 PolarHBondContact N-O 3.04Å; T108-A117 PolarHBondContact OG1-O 3.2Å; T108-Q118 PolarHBondContact OG1-N 2.9Å; T108-A119 HydrophobicContact CG2-CB 4.15Å; T108-V124 HydrophobicContact CG2-CG2 3.54Å
109	S	85.1	Confident	87.1	Confident	64 Å²	64	53.6 Å²	53.6	45%	0.448	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.3	179.5	57.8	0	0	0	0	114.5	N107 L111	N107-S109 VanDerWaalsContact OD1-CB 3.29Å; N107-S109 WeakPolarHBondContact OD1-CB 3.43Å; N107-S109 PolarHBondContact OD1-N 3.41Å; N107-S109 VanDerWaalsContact OD1-N 3.12Å; N107-S109 PolarHBondContact OD1-OG 2.98Å; S109-L111 VanDerWaalsContact C-N 3.31Å
110	G	83.1	Confident	87.8	Confident	6 Å²	6	54.2 Å²	54.2	6%	0.062	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-16.3	172.1	0	0	0	0	0	114.7	T108 R112	T108-G110 PolarHBondContact O-N 2.89Å; T108-G110 VanDerWaalsContact O-N 3.16Å; G110-R112 PolarHBondContact O-N 3.02Å
111	L	86.3	Confident	88.6	Confident	6 Å²	6	51.3 Å²	51.3	3%	0.031	32%	0.318	C	S	.	.			trans	-92.3	89.8	179.9	-60.3	-178.5	0	0	0	111	L56 L62 V66 T108 S109 H113 F114 V124	L56-L111 HydrophobicContact CD1-CD2 4.09Å; L56-L111 HydrophobicContact CD1-CG 4.49Å; L62-L111 HydrophobicContact CD1-CD1 4.34Å; V66-L111 HydrophobicContact CG1-CD2 4.23Å; V66-L111 HydrophobicContact CG2-CD2 3.78Å; T108-L111 HydrophobicContact CG2-CD1 4.13Å; T108-L111 WeakPolarHBondContact O-CB 3.49Å; T108-L111 PolarHBondContact O-N 3.34Å; S109-L111 VanDerWaalsContact C-N 3.31Å; L111-H113 VanDerWaalsContact C-N 3.27Å; L111-H113 PolarHBondContact O-N 2.88Å; L111-H113 VanDerWaalsContact O-N 3.15Å; L111-F114 HydrophobicContact CB-CB 3.64Å; L111-F114 HydrophobicContact CB-CG 4.45Å; L111-F114 HydrophobicContact CD1-CB 4.31Å; L111-F114 HydrophobicContact CD1-CD2 4.41Å; L111-F114 HydrophobicContact CD1-CG 4.32Å; L111-F114 WeakPolarHBondContact O-CB 3.45Å; L111-F114 PolarHBondContact O-N 3.04Å; L111-F114 VanDerWaalsContact O-N 3.17Å; L111-V124 HydrophobicContact CD1-CG1 4.43Å
112	R	85.1	Confident	89	Confident	139 Å²	139	53.3 Å²	53.3	53%	0.525	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-42.3	-173.9	-179.9	179.4	-179.1	-173.6	-2.8	113.7	R52 G110 D154	R52-R112 VanDerWaalsContact NH2-CB 3.28Å; G110-R112 PolarHBondContact O-N 3.02Å; R112-D154 VanDerWaalsContact CD-OD1 3.29Å; R112-D154 WeakPolarHBondContact CD-OD1 3.46Å; R112-D154 IonicContact CZ-OD2 2.8Å; R112-D154 IonicContact NH1-OD1 3.01Å; R112-D154 IonicContact NH1-OD2 2.7Å; R112-D154 PolarHBondContact NH1-OD2 3.38Å
113	H	88.9	Confident	89.3	Confident	17 Å²	17	56.3 Å²	56.3	8%	0.079	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	1	-172.1	-60.8	-78.5	0	0	0	114.3	L111 D154 E157 R161	L111-H113 VanDerWaalsContact C-N 3.27Å; L111-H113 PolarHBondContact O-N 2.88Å; L111-H113 VanDerWaalsContact O-N 3.15Å; H113-D154 IonicContact CD2-OD1 3.71Å; H113-D154 PolarHBondContact NE2-O 3.41Å; H113-D154 IonicContact NE2-OD1 2.76Å; H113-D154 PolarHBondContact NE2-OD1 3.28Å; H113-E157 HydrophobicContact CB-CB 4.06Å; H113-E157 VanDerWaalsContact CD2-CB 3.45Å; H113-E157 WeakPolarHBondContact CD2-CB 3.38Å; H113-E157 IonicContact CD2-OE2 3.73Å; H113-E157 PolarHBondContact CD2-OE2 2.91Å; H113-E157 IonicContact CG-OE2 3.63Å; H113-R161 PolarHBondContact O-NH1 3.2Å
114	F	88.1	Confident	89.6	Confident	33 Å²	33	51.3 Å²	51.3	15%	0.145	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-36.7	-176.7	-173.5	-104.2	0	0	0	113.6	T108 L111 K116 A119 E123 V124 Y127	T108-F114 HydrophobicContact CG2-CD1 3.99Å; T108-F114 HydrophobicContact CG2-CE1 3.81Å; T108-F114 HydrophobicContact CG2-CZ 4.39Å; L111-F114 HydrophobicContact CB-CB 3.64Å; L111-F114 HydrophobicContact CB-CG 4.45Å; L111-F114 HydrophobicContact CD1-CB 4.31Å; L111-F114 HydrophobicContact CD1-CD2 4.41Å; L111-F114 HydrophobicContact CD1-CG 4.32Å; L111-F114 WeakPolarHBondContact O-CB 3.45Å; L111-F114 PolarHBondContact O-N 3.04Å; L111-F114 VanDerWaalsContact O-N 3.17Å; F114-K116 HydrophobicContact CD1-CB 3.99Å; F114-K116 HydrophobicContact CE1-CB 3.82Å; F114-K116 HydrophobicContact CE1-CD 4.27Å; F114-K116 HydrophobicContact CE1-CG 4.24Å; F114-K116 PolarHBondContact O-N 3.13Å; F114-A119 HydrophobicContact CE1-CB 3.35Å; F114-A119 HydrophobicContact CZ-CB 3.42Å; F114-A119 VanDerWaalsContact CZ-CB 3.42Å; F114-E123 HydrophobicContact CZ-CB 4.35Å; F114-V124 HydrophobicContact CE2-CG2 4.3Å; F114-V124 HydrophobicContact CZ-CG2 4.05Å; F114-Y127 AromaticContact CD2-CD1 3.68Å; F114-Y127 HydrophobicContact CD2-CD1 3.68Å; F114-Y127 AromaticContact CD2-CD2 3.75Å; F114-Y127 HydrophobicContact CD2-CD2 3.75Å; F114-Y127 HydrophobicContact CD2-CE1 4.19Å; F114-Y127 HydrophobicContact CD2-CE2 4.27Å; F114-Y127 AromaticContact CD2-CG 3.45Å; F114-Y127 HydrophobicContact CD2-CG 3.45Å; F114-Y127 VanDerWaalsContact CD2-CG 3.45Å; F114-Y127 HydrophobicContact CE2-CD1 4.26Å; F114-Y127 HydrophobicContact CE2-CD2 4.37Å; F114-Y127 AromaticContact CE2-CG 3.84Å; F114-Y127 HydrophobicContact CE2-CG 3.84Å
115	G	84.7	Confident	89.8	Confident	73 Å²	73	51.6 Å²	51.6	75%	0.753	29%	0.288	S	S	*	.			trans	84.8	-1.2	171.3	0	0	0	0	0	116.6
116	K	88.2	Confident	90	Very high	106 Å²	106	51.1 Å²	51.1	46%	0.461	28%	0.284	S	S	.	.			trans	-120.5	149.6	169.2	-54.8	-179	-179	-176.7	0	110.4	T108 F114 Q118 A119 E123	T108-K116 PolarHBondContact OG1-O 3.04Å; F114-K116 HydrophobicContact CD1-CB 3.99Å; F114-K116 HydrophobicContact CE1-CB 3.82Å; F114-K116 HydrophobicContact CE1-CD 4.27Å; F114-K116 HydrophobicContact CE1-CG 4.24Å; F114-K116 PolarHBondContact O-N 3.13Å; K116-Q118 WeakPolarHBondContact CB-O 3.05Å; K116-A119 HydrophobicContact CD-CB 4.49Å; K116-E123 IonicContact NZ-OE1 3.58Å; K116-E123 PolarHBondContact NZ-OE1 3.3Å; K116-E123 IonicContact NZ-OE2 3.55Å
117	A	87.5	Confident	90.2	Very high	68 Å²	68	51.3 Å²	51.3	56%	0.562	29%	0.285	S	S	*	.	S	Bend	trans	-81.2	-26.2	174.9	0	0	0	0	0	113	N107 T108	N107-A117 PolarHBondContact OD1-O 3.41Å; T108-A117 PolarHBondContact N-O 3.04Å; T108-A117 PolarHBondContact OG1-O 3.2Å
118	Q	90.9	Very high	90.4	Very high	133 Å²	133	49.2 Å²	49.2	62%	0.621	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.6	146.9	173.9	-69.1	-175.9	-10.4	0	0	109.8	T105 L106 T108 K116	T105-Q118 HydrophobicContact CG2-CB 3.92Å; T105-Q118 HydrophobicContact CG2-CG 4.48Å; L106-Q118 VanDerWaalsContact O-CA 3.27Å; L106-Q118 WeakPolarHBondContact O-CA 3.38Å; T108-Q118 PolarHBondContact OG1-N 2.9Å; K116-Q118 WeakPolarHBondContact CB-O 3.05Å
119	A	94.1	Very high	90.7	Very high	5 Å²	5	53.1 Å²	53.1	4%	0.041	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	163.4	176.3	0	0	0	0	0	111.4	T105 L106 T108 F114 K116 E123 V124	T105-A119 CarbonylContact C-O 3.27Å; T105-A119 WeakPolarHBondContact CA-O 3.37Å; L106-A119 PolarHBondContact N-O 2.7Å; L106-A119 PolarHBondContact O-N 2.89Å; T108-A119 HydrophobicContact CG2-CB 4.15Å; F114-A119 HydrophobicContact CE1-CB 3.35Å; F114-A119 HydrophobicContact CZ-CB 3.42Å; F114-A119 VanDerWaalsContact CZ-CB 3.42Å; K116-A119 HydrophobicContact CD-CB 4.49Å; A119-E123 WeakPolarHBondContact CA-OE2 3.27Å; A119-E123 HydrophobicContact CB-CB 4.05Å; A119-E123 WeakPolarHBondContact CB-OE2 3.28Å; A119-V124 HydrophobicContact CB-CG2 4.22Å
120	S	94.4	Very high	91.1	Very high	35 Å²	35	58.2 Å²	58.2	25%	0.245	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	156.5	172.6	88.1	0	0	0	0	111.2	G104 E122 E123 V124	G104-S120 WeakPolarHBondContact O-CA 3.4Å; S120-E122 WeakPolarHBondContact CB-OE2 3.37Å; S120-E122 PolarHBondContact O-N 3.02Å; S120-E122 PolarHBondContact OG-N 2.95Å; S120-E122 PolarHBondContact OG-OE2 3.34Å; S120-E123 PolarHBondContact N-OE2 3.35Å; S120-E123 VanDerWaalsContact N-OE2 3.07Å; S120-E123 PolarHBondContact O-N 2.64Å; S120-E123 VanDerWaalsContact O-N 3.15Å; S120-E123 PolarHBondContact OG-N 2.63Å; S120-V124 PolarHBondContact O-N 2.69Å; S120-V124 VanDerWaalsContact O-N 3.1Å
121	A	92	Very high	91.7	Very high	6 Å²	6	58.2 Å²	58.2	5%	0.05	30%	0.3	C	S	.	.	H	α-helix	trans	-55.5	-36.5	175.2	0	0	0	0	0	112.3	V102 G104 L106 V124 Q125	V102-A121 HydrophobicContact CG1-CB 4.4Å; V102-A121 WeakPolarHBondContact O-CB 3.29Å; G104-A121 PolarHBondContact O-N 3.45Å; L106-A121 HydrophobicContact CD1-CB 4.06Å; A121-V124 PolarHBondContact O-N 3.13Å; A121-Q125 WeakPolarHBondContact O-CB 3.45Å; A121-Q125 PolarHBondContact O-N 3.36Å
122	E	93	Very high	92.2	Very high	115 Å²	115	58 Å²	58	54%	0.537	30%	0.299	S	S	.	.	H	α-helix	trans	-66.9	-40.5	177.6	-55.5	78.9	-171.7	0	0	112.3	S120 V124 Q125 T126	S120-E122 WeakPolarHBondContact CB-OE2 3.37Å; S120-E122 PolarHBondContact O-N 3.02Å; S120-E122 PolarHBondContact OG-N 2.95Å; S120-E122 PolarHBondContact OG-OE2 3.34Å; E122-V124 VanDerWaalsContact C-N 3.34Å; E122-Q125 PolarHBondContact O-N 3.47Å; E122-T126 WeakPolarHBondContact O-CB 3.43Å; E122-T126 PolarHBondContact O-N 3.24Å; E122-T126 PolarHBondContact O-OG1 2.88Å
123	E	94.3	Very high	92.8	Very high	77 Å²	77	51.9 Å²	51.9	36%	0.36	28%	0.277	S	S	.	.	H	α-helix	trans	-63.7	-40.7	175.1	-70.5	-176.2	120.9	0	0	111.4	F114 K116 A119 S120 Y127	F114-E123 HydrophobicContact CZ-CB 4.35Å; K116-E123 IonicContact NZ-OE1 3.58Å; K116-E123 PolarHBondContact NZ-OE1 3.3Å; K116-E123 IonicContact NZ-OE2 3.55Å; A119-E123 WeakPolarHBondContact CA-OE2 3.27Å; A119-E123 HydrophobicContact CB-CB 4.05Å; A119-E123 WeakPolarHBondContact CB-OE2 3.28Å; S120-E123 PolarHBondContact N-OE2 3.35Å; S120-E123 VanDerWaalsContact N-OE2 3.07Å; S120-E123 PolarHBondContact O-N 2.64Å; S120-E123 VanDerWaalsContact O-N 3.15Å; S120-E123 PolarHBondContact OG-N 2.63Å; E123-Y127 WeakPolarHBondContact O-CB 3.49Å; E123-Y127 PolarHBondContact O-N 2.97Å
124	V	94.4	Very high	93.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.7	-46.3	176	172.1	0	0	0	0	110.9	L62 L65 L106 T108 L111 F114 A119 S120 A121 E122 T126 Y127 L128	L62-V124 HydrophobicContact CD1-CG1 3.55Å; L62-V124 HydrophobicContact CD1-CG2 4.42Å; L65-V124 HydrophobicContact CD2-CG1 4.34Å; L106-V124 HydrophobicContact CD1-CB 4.28Å; L106-V124 HydrophobicContact CD1-CG2 4.09Å; T108-V124 HydrophobicContact CG2-CG2 3.54Å; L111-V124 HydrophobicContact CD1-CG1 4.43Å; F114-V124 HydrophobicContact CE2-CG2 4.3Å; F114-V124 HydrophobicContact CZ-CG2 4.05Å; A119-V124 HydrophobicContact CB-CG2 4.22Å; S120-V124 PolarHBondContact O-N 2.69Å; S120-V124 VanDerWaalsContact O-N 3.1Å; A121-V124 PolarHBondContact O-N 3.13Å; E122-V124 VanDerWaalsContact C-N 3.34Å; V124-T126 PolarHBondContact O-N 3.11Å; V124-Y127 WeakPolarHBondContact O-CB 3.43Å; V124-Y127 PolarHBondContact O-N 2.9Å; V124-L128 HydrophobicContact CG1-CD1 3.92Å; V124-L128 HydrophobicContact CG1-CG 4.34Å; V124-L128 WeakPolarHBondContact O-CG 3.45Å; V124-L128 PolarHBondContact O-N 3.33Å
125	Q	94.3	Very high	93.5	Very high	48 Å²	48	52.9 Å²	52.9	22%	0.224	29%	0.286	C	S	.	.	H	α-helix	trans	-61.1	-45.8	178.7	-171.4	-179	-20.2	0	0	111.3	Y69 A121 E122 Y127 L128 E129	Y69-Q125 HydrophobicContact CE2-CG 4.42Å; Y69-Q125 VanDerWaalsContact OH-CG 3.22Å; Y69-Q125 WeakPolarHBondContact OH-CG 3.37Å; A121-Q125 WeakPolarHBondContact O-CB 3.45Å; A121-Q125 PolarHBondContact O-N 3.36Å; E122-Q125 PolarHBondContact O-N 3.47Å; Q125-Y127 VanDerWaalsContact C-N 3.26Å; Q125-Y127 PolarHBondContact O-N 2.9Å; Q125-L128 PolarHBondContact O-N 2.99Å; Q125-L128 VanDerWaalsContact O-N 3.16Å; Q125-E129 HydrophobicContact CG-CG 4.44Å; Q125-E129 WeakPolarHBondContact CG-OE1 3.37Å; Q125-E129 PolarHBondContact NE2-OE1 3.24Å; Q125-E129 WeakPolarHBondContact O-CB 3.2Å; Q125-E129 WeakPolarHBondContact O-CG 3.24Å; Q125-E129 PolarHBondContact O-N 3.42Å
126	T	94.5	Very high	94.2	Very high	91 Å²	91	49.6 Å²	49.6	56%	0.558	25%	0.251	S	S	*	.	H	α-helix	trans	-58.2	-40.5	176.3	-57	0	0	0	0	111.4	E122 V124 R130	E122-T126 WeakPolarHBondContact O-CB 3.43Å; E122-T126 PolarHBondContact O-N 3.24Å; E122-T126 PolarHBondContact O-OG1 2.88Å; V124-T126 PolarHBondContact O-N 3.11Å; T126-R130 WeakPolarHBondContact O-CB 3.37Å; T126-R130 PolarHBondContact O-N 3.45Å
127	Y	95.1	Very high	94.6	Very high	11 Å²	11	44.5 Å²	44.5	4%	0.043	23%	0.229	C	C	.	.	H	α-helix	trans	-63.6	-49.4	175.1	165.2	-98.4	0	0	0	112.1	F114 E123 V124 Q125 R130 V131 E157	F114-Y127 AromaticContact CD2-CD1 3.68Å; F114-Y127 HydrophobicContact CD2-CD1 3.68Å; F114-Y127 AromaticContact CD2-CD2 3.75Å; F114-Y127 HydrophobicContact CD2-CD2 3.75Å; F114-Y127 HydrophobicContact CD2-CE1 4.19Å; F114-Y127 HydrophobicContact CD2-CE2 4.27Å; F114-Y127 AromaticContact CD2-CG 3.45Å; F114-Y127 HydrophobicContact CD2-CG 3.45Å; F114-Y127 VanDerWaalsContact CD2-CG 3.45Å; F114-Y127 HydrophobicContact CE2-CD1 4.26Å; F114-Y127 HydrophobicContact CE2-CD2 4.37Å; F114-Y127 AromaticContact CE2-CG 3.84Å; F114-Y127 HydrophobicContact CE2-CG 3.84Å; E123-Y127 WeakPolarHBondContact O-CB 3.49Å; E123-Y127 PolarHBondContact O-N 2.97Å; V124-Y127 WeakPolarHBondContact O-CB 3.43Å; V124-Y127 PolarHBondContact O-N 2.9Å; Q125-Y127 VanDerWaalsContact C-N 3.26Å; Q125-Y127 PolarHBondContact O-N 2.9Å; Y127-R130 VanDerWaalsContact CD2-NH2 3.34Å; Y127-R130 PolarHBondContact O-N 2.99Å; Y127-V131 HydrophobicContact CD2-CG2 4.16Å; Y127-V131 HydrophobicContact CE1-CG2 4.36Å; Y127-V131 HydrophobicContact CE2-CG2 3.76Å; Y127-V131 VanDerWaalsContact O-CG2 3.31Å; Y127-V131 WeakPolarHBondContact O-CG2 3.28Å; Y127-V131 PolarHBondContact O-N 3.2Å; Y127-E157 PolarHBondContact OH-OE2 3.21Å
128	L	95.4	Very high	95.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.7	-40.7	-178.5	-67.3	173.2	0	0	0	111.7	L65 V66 Y69 V124 Q125 V131 Y132	L65-L128 HydrophobicContact CD2-CD1 4.26Å; L65-L128 HydrophobicContact CG-CD1 3.99Å; V66-L128 HydrophobicContact CG2-CD1 4.07Å; V66-L128 HydrophobicContact CG2-CD2 4.27Å; Y69-L128 HydrophobicContact CD1-CB 3.77Å; Y69-L128 HydrophobicContact CD2-CB 3.73Å; Y69-L128 HydrophobicContact CD2-CD1 3.61Å; Y69-L128 HydrophobicContact CD2-CG 4.27Å; Y69-L128 HydrophobicContact CE1-CB 4.13Å; Y69-L128 HydrophobicContact CE2-CB 4.08Å; Y69-L128 HydrophobicContact CE2-CD1 4.14Å; Y69-L128 HydrophobicContact CG-CB 3.56Å; Y69-L128 HydrophobicContact CG-CD1 4.14Å; Y69-L128 HydrophobicContact CG-CG 4.36Å; V124-L128 HydrophobicContact CG1-CD1 3.92Å; V124-L128 HydrophobicContact CG1-CG 4.34Å; V124-L128 WeakPolarHBondContact O-CG 3.45Å; V124-L128 PolarHBondContact O-N 3.33Å; Q125-L128 PolarHBondContact O-N 2.99Å; Q125-L128 VanDerWaalsContact O-N 3.16Å; L128-V131 PolarHBondContact O-N 2.97Å; L128-Y132 HydrophobicContact CD2-CD2 4.24Å; L128-Y132 HydrophobicContact CD2-CE2 3.93Å; L128-Y132 WeakPolarHBondContact O-CD2 3.29Å; L128-Y132 PolarHBondContact O-N 3.16Å
129	E	95	Very high	95.5	Very high	82 Å²	82	35.5 Å²	35.5	38%	0.383	18%	0.176	S	C	.	.	H	α-helix	trans	-60.8	-45.2	173.7	-76	175.6	-173.6	0	0	111.8	Y69 Q125 V131 C133	Y69-E129 HydrophobicContact CE1-CB 4.33Å; Y69-E129 HydrophobicContact CE1-CG 3.48Å; Y69-E129 VanDerWaalsContact CE1-CG 3.48Å; Y69-E129 VanDerWaalsContact OH-CG 3.32Å; Y69-E129 WeakPolarHBondContact OH-CG 3.12Å; Y69-E129 PolarHBondContact OH-OE1 3.16Å; Y69-E129 VanDerWaalsContact OH-OE1 3.06Å; Q125-E129 HydrophobicContact CG-CG 4.44Å; Q125-E129 WeakPolarHBondContact CG-OE1 3.37Å; Q125-E129 PolarHBondContact NE2-OE1 3.24Å; Q125-E129 WeakPolarHBondContact O-CB 3.2Å; Q125-E129 WeakPolarHBondContact O-CG 3.24Å; Q125-E129 PolarHBondContact O-N 3.42Å; E129-V131 VanDerWaalsContact C-N 3.3Å; E129-V131 PolarHBondContact O-N 3.2Å; E129-C133 WeakPolarHBondContact O-CA 3.48Å; E129-C133 WeakPolarHBondContact O-CB 3.4Å; E129-C133 PolarHBondContact O-N 3.42Å
130	R	94.7	Very high	95.3	Very high	172 Å²	172	35.5 Å²	35.5	65%	0.649	18%	0.175	S	C	*	.	H	α-helix	trans	-62.1	-38.4	177.6	-175.9	-172.5	67.4	-166.7	1.7	112.2	T126 Y127	T126-R130 WeakPolarHBondContact O-CB 3.37Å; T126-R130 PolarHBondContact O-N 3.45Å; Y127-R130 VanDerWaalsContact CD2-NH2 3.34Å; Y127-R130 PolarHBondContact O-N 2.99Å
131	V	94.9	Very high	95.1	Very high	6 Å²	6	35.8 Å²	35.8	4%	0.036	18%	0.183	C	C	.	.	H	α-helix	trans	-76.2	-51.2	-177.2	171.4	0	0	0	0	111.3	Y127 L128 E129 F156 E157	Y127-V131 HydrophobicContact CD2-CG2 4.16Å; Y127-V131 HydrophobicContact CE1-CG2 4.36Å; Y127-V131 HydrophobicContact CE2-CG2 3.76Å; Y127-V131 VanDerWaalsContact O-CG2 3.31Å; Y127-V131 WeakPolarHBondContact O-CG2 3.28Å; Y127-V131 PolarHBondContact O-N 3.2Å; L128-V131 PolarHBondContact O-N 2.97Å; E129-V131 VanDerWaalsContact C-N 3.3Å; E129-V131 PolarHBondContact O-N 3.2Å; V131-F156 HydrophobicContact CG1-CD1 4.01Å; V131-F156 HydrophobicContact CG1-CE1 3.79Å; V131-F156 VanDerWaalsContact O-CE1 3.28Å; V131-F156 WeakPolarHBondContact O-CE1 3.17Å; V131-F156 WeakPolarHBondContact O-CZ 3.5Å; V131-E157 HydrophobicContact CG1-CG 3.92Å
132	Y	96.9	Very high	95.2	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-101.2	-14.1	-167.3	-64.2	-74.4	0	0	0	114.8	R70 G73 L128 V138 F156 E157	R70-Y132 HydrophobicContact CG-CE1 4Å; R70-Y132 HydrophobicContact CG-CE2 4.05Å; R70-Y132 VanDerWaalsContact CG-OH 3.31Å; R70-Y132 WeakPolarHBondContact CG-OH 3.48Å; R70-Y132 PolarHBondContact NE-OH 2.79Å; G73-Y132 CarbonylContact C-O 3.59Å; L128-Y132 HydrophobicContact CD2-CD2 4.24Å; L128-Y132 HydrophobicContact CD2-CE2 3.93Å; L128-Y132 WeakPolarHBondContact O-CD2 3.29Å; L128-Y132 PolarHBondContact O-N 3.16Å; Y132-V138 HydrophobicContact CD1-CG2 4.27Å; Y132-V138 HydrophobicContact CE1-CG2 4.29Å; Y132-F156 HydrophobicContact CD1-CD1 4.04Å; Y132-F156 AromaticContact CD1-CE1 3.71Å; Y132-F156 HydrophobicContact CD1-CE1 3.71Å; Y132-F156 AromaticContact CE1-CD1 3.69Å; Y132-F156 HydrophobicContact CE1-CD1 3.69Å; Y132-F156 AromaticContact CE1-CE1 3.87Å; Y132-F156 HydrophobicContact CE1-CE1 3.87Å; Y132-E157 PolarHBondContact OH-OE1 2.97Å
133	C	96.9	Very high	95.3	Very high	10 Å²	10	31.3 Å²	31.3	7%	0.068	16%	0.161	C	C	.	.	S	Bend	trans	-116.4	20.2	-175.7	-46.1	0	0	0	0	112.8	A76 E129	A76-C133 HydrophobicContact CB-CB 4.09Å; E129-C133 WeakPolarHBondContact O-CA 3.48Å; E129-C133 WeakPolarHBondContact O-CB 3.4Å; E129-C133 PolarHBondContact O-N 3.42Å
134	G	95.9	Very high	94.8	Very high	15 Å²	15	30.5 Å²	30.5	16%	0.155	17%	0.165	C	C	.	.	S	Bend	trans	-82.3	-152.1	176.6	0	0	0	0	0	113.5	A77 K78 L136	A77-G134 WeakPolarHBondContact CB-O 3.29Å; K78-G134 PolarHBondContact N-O 3.26Å; G134-L136 VanDerWaalsContact C-N 3.27Å
135	H	97	Very high	94.6	Very high	56 Å²	56	32.3 Å²	32.3	26%	0.259	18%	0.177	S	C	.	.	S	Bend	trans	-85.1	-1.6	179	-58.5	179	0	0	0	113.5	K78 N404 D407	K78-H135 PolarHBondContact O-CD2 3.21Å; H135-N404 HydrophobicContact CB-CB 4.01Å; H135-N404 WeakPolarHBondContact O-CB 3.01Å; H135-N404 PolarHBondContact O-N 3.17Å; H135-D407 HydrophobicContact CB-CB 4.22Å; H135-D407 VanDerWaalsContact CB-OD2 3.3Å; H135-D407 WeakPolarHBondContact CB-OD2 3.43Å; H135-D407 IonicContact CE1-OD1 3.71Å; H135-D407 IonicContact CE1-OD2 3.08Å; H135-D407 IonicContact CG-OD1 3.37Å; H135-D407 IonicContact CG-OD2 3.37Å; H135-D407 VanDerWaalsContact CG-OD2 3.25Å; H135-D407 IonicContact ND1-OD1 3.48Å; H135-D407 PolarHBondContact ND1-OD1 3.3Å; H135-D407 IonicContact ND1-OD2 3.35Å; H135-D407 PolarHBondContact ND1-OD2 3.17Å
136	L	98.1	Very high	94.4	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.016	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	132.8	175.6	159.7	69.2	0	0	0	106.8	G134 F156 I401 H402 V403 D410 R413 A414	G134-L136 VanDerWaalsContact C-N 3.27Å; L136-F156 HydrophobicContact CD1-CE2 4.37Å; L136-F156 HydrophobicContact CD2-CE2 3.9Å; L136-F156 HydrophobicContact CG-CE2 3.73Å; L136-F156 HydrophobicContact CG-CZ 4.3Å; L136-I401 HydrophobicContact CD1-CG2 3.41Å; L136-I401 VanDerWaalsContact CD1-CG2 3.41Å; L136-H402 CarbonylContact C-O 3.59Å; L136-H402 WeakPolarHBondContact CA-O 3.19Å; L136-V403 HydrophobicContact CB-CG2 4.2Å; L136-V403 HydrophobicContact CD1-CB 3.97Å; L136-V403 HydrophobicContact CD1-CG2 4.18Å; L136-D410 HydrophobicContact CB-CB 4.01Å; L136-D410 WeakPolarHBondContact CB-OD2 3.41Å; L136-D410 HydrophobicContact CD2-CB 4.42Å; L136-R413 HydrophobicContact CD2-CB 3.97Å; L136-A414 HydrophobicContact CD1-CB 3.79Å
137	S	98.2	Very high	94.2	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	167.4	-176.9	66.8	0	0	0	0	111.5	H402	S137-H402 PolarHBondContact N-O 3.38Å; S137-H402 PolarHBondContact O-N 3.31Å
138	V	98.3	Very high	94.1	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.018	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	147.1	-174.1	-64.8	0	0	0	0	110.9	Y132 T140 F152 F156 V400 I401 L417	Y132-V138 HydrophobicContact CD1-CG2 4.27Å; Y132-V138 HydrophobicContact CE1-CG2 4.29Å; V138-T140 HydrophobicContact CG2-CG2 4.37Å; V138-F152 HydrophobicContact CB-CD1 4.02Å; V138-F152 HydrophobicContact CB-CE1 3.65Å; V138-F152 HydrophobicContact CG1-CD1 4.1Å; V138-F152 HydrophobicContact CG1-CE1 3.49Å; V138-F152 VanDerWaalsContact CG1-CE1 3.49Å; V138-F152 HydrophobicContact CG2-CD1 4.36Å; V138-F152 HydrophobicContact CG2-CE1 4.45Å; V138-F156 HydrophobicContact CG1-CD1 4.48Å; V138-F156 HydrophobicContact CG1-CD2 3.57Å; V138-F156 HydrophobicContact CG1-CE2 3.64Å; V138-F156 HydrophobicContact CG1-CG 4Å; V138-F156 HydrophobicContact CG1-CZ 4.16Å; V138-F156 HydrophobicContact CG2-CD1 3.99Å; V138-F156 HydrophobicContact CG2-CE1 4.11Å; V138-F156 HydrophobicContact CG2-CG 4.19Å; V138-F156 HydrophobicContact CG2-CZ 4.43Å; V138-V400 WeakPolarHBondContact CA-O 3.42Å; V138-I401 HydrophobicContact CG1-CG1 4.37Å; V138-I401 HydrophobicContact CG1-CG2 4.45Å; V138-L417 HydrophobicContact CG1-CD2 3.96Å
139	E	97.8	Very high	94	Very high	8 Å²	8	38.4 Å²	38.4	4%	0.037	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	122.6	168.5	-54.9	-170.7	-76.5	0	0	109.4	H74 Q142 K394 V400 H402	H74-E139 HydrophobicContact CB-CG 4.47Å; H74-E139 IonicContact CE1-OE2 3.76Å; H74-E139 PolarHBondContact CE1-OE2 2.94Å; H74-E139 IonicContact ND1-OE2 2.86Å; H74-E139 IonicContact NE2-OE2 3.51Å; E139-Q142 PolarHBondContact O-NE2 3.37Å; E139-Q142 PolarHBondContact O-OE1 2.98Å; E139-K394 VanDerWaalsContact CD-NZ 3.28Å; E139-K394 VanDerWaalsContact OE1-CE 3.24Å; E139-K394 WeakPolarHBondContact OE1-CE 3.45Å; E139-K394 IonicContact OE1-NZ 2.7Å; E139-K394 PolarHBondContact OE1-NZ 3.36Å; E139-K394 VanDerWaalsContact OE1-NZ 3.13Å; E139-K394 IonicContact OE2-NZ 3.45Å; E139-K394 PolarHBondContact OE2-NZ 3.49Å; E139-V400 HydrophobicContact CB-CB 4.21Å; E139-V400 HydrophobicContact CG-CB 4.43Å; E139-V400 HydrophobicContact CG-CG1 4.43Å; E139-V400 PolarHBondContact N-O 3.48Å; E139-H402 IonicContact OE1-CE1 3.54Å; E139-H402 IonicContact OE1-NE2 3.61Å; E139-H402 PolarHBondContact OE1-NE2 3.17Å
140	T	90.8	Very high	93.8	Very high	6 Å²	6	36 Å²	36	4%	0.037	19%	0.188	C	C	.	.			trans	-113.5	-18.8	-179.1	58.5	0	0	0	0	113.5	R70 V138 Q142 L143 F152	R70-T140 PolarHBondContact O-OG1 3.47Å; V138-T140 HydrophobicContact CG2-CG2 4.37Å; T140-Q142 VanDerWaalsContact C-N 3.27Å; T140-Q142 PolarHBondContact O-N 2.87Å; T140-L143 HydrophobicContact CG2-CD1 4.5Å; T140-L143 WeakPolarHBondContact O-CB 3.41Å; T140-L143 PolarHBondContact O-N 2.98Å; T140-F152 HydrophobicContact CG2-CB 4.36Å; T140-F152 HydrophobicContact CG2-CD1 4.08Å
141	G	90.1	Very high	93.8	Very high	40 Å²	40	30.6 Å²	30.6	41%	0.412	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-29	-171.2	0	0	0	0	0	114.7
142	Q	94.1	Very high	93.8	Very high	27 Å²	27	30.3 Å²	30.3	13%	0.126	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-20.6	177.1	75.9	-72.9	0.8	0	0	113.5	E139 T140 K394 N397 C398	E139-Q142 PolarHBondContact O-NE2 3.37Å; E139-Q142 PolarHBondContact O-OE1 2.98Å; T140-Q142 VanDerWaalsContact C-N 3.27Å; T140-Q142 PolarHBondContact O-N 2.87Å; Q142-K394 HydrophobicContact CB-CG 4.23Å; Q142-K394 HydrophobicContact CG-CG 4.19Å; Q142-N397 WeakPolarHBondContact O-CB 3.47Å; Q142-N397 PolarHBondContact O-OD1 3.08Å; Q142-N397 VanDerWaalsContact O-OD1 3.13Å; Q142-C398 VanDerWaalsContact CG-O 3.31Å; Q142-C398 WeakPolarHBondContact CG-O 3.48Å; Q142-C398 PolarHBondContact NE2-O 2.66Å
143	L	94.2	Very high	93.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.166	C	C	.	.			trans	-63.4	138.3	-174.8	-66.2	173.7	0	0	0	111.1	T140 E148 R149 F152 A399	T140-L143 HydrophobicContact CG2-CD1 4.5Å; T140-L143 WeakPolarHBondContact O-CB 3.41Å; T140-L143 PolarHBondContact O-N 2.98Å; L143-E148 HydrophobicContact CB-CB 4.28Å; L143-E148 HydrophobicContact CD1-CB 4.26Å; L143-R149 HydrophobicContact CB-CG 3.77Å; L143-R149 HydrophobicContact CD1-CG 4.28Å; L143-R149 VanDerWaalsContact O-CZ 3.26Å; L143-R149 PolarHBondContact O-NE 3.47Å; L143-R149 PolarHBondContact O-NH2 3.15Å; L143-F152 HydrophobicContact CD1-CB 4.25Å; L143-F152 HydrophobicContact CD1-CG 4.4Å; L143-A399 HydrophobicContact CD2-CB 4.03Å
144	S	84.8	Confident	93.5	Very high	61 Å²	61	30.9 Å²	30.9	43%	0.427	17%	0.168	S	C	.	.	S	Bend	trans	-78.2	-30.5	-167.5	66.1	0	0	0	0	114.9	E148 R427	S144-E148 PolarHBondContact OG-OE1 3.43Å; S144-R427 PolarHBondContact OG-NH1 3.32Å
145	S	89.9	Confident	93.5	Very high	38 Å²	38	32.2 Å²	32.2	27%	0.266	17%	0.168	S	C	.	.			trans	-115.8	150.2	-175.7	72.7	0	0	0	0	112.3	E147 E148 R149	S145-E147 PolarHBondContact O-N 3.03Å; S145-E148 VanDerWaalsContact CB-OE1 3.32Å; S145-E148 WeakPolarHBondContact CB-OE1 3.29Å; S145-E148 PolarHBondContact N-OE1 2.66Å; S145-E148 VanDerWaalsContact N-OE1 3.1Å; S145-E148 PolarHBondContact O-N 3.03Å; S145-E148 WeakPolarHBondContact OG-CB 3.38Å; S145-E148 VanDerWaalsContact OG-CD 3.28Å; S145-E148 WeakPolarHBondContact OG-CG 3.32Å; S145-E148 PolarHBondContact OG-N 2.87Å; S145-E148 VanDerWaalsContact OG-N 3.15Å; S145-E148 PolarHBondContact OG-OE1 3.24Å; S145-R149 WeakPolarHBondContact O-CG 3.16Å; S145-R149 PolarHBondContact O-N 3.28Å
146	L	89.4	Confident	93.5	Very high	98 Å²	98	29.6 Å²	29.6	51%	0.513	16%	0.156	S	C	.	.	H	α-helix	trans	-63.3	-33.7	173.6	180	62.8	0	0	0	111.7	I53 R149 E150	I53-L146 HydrophobicContact CD1-CD2 4.06Å; I53-L146 HydrophobicContact CD1-CG 4.48Å; L146-R149 PolarHBondContact O-N 3.37Å; L146-E150 HydrophobicContact CD1-CG 3.97Å; L146-E150 HydrophobicContact CG-CG 4.33Å; L146-E150 WeakPolarHBondContact O-CG 3.17Å; L146-E150 PolarHBondContact O-N 3.45Å
147	E	90.4	Very high	93.4	Very high	96 Å²	96	29.6 Å²	29.6	45%	0.449	16%	0.156	S	C	.	.	H	α-helix	trans	-61.1	-49	176.5	-172.2	-177.7	172.3	0	0	111.5	S145 R149 W151 F425	S145-E147 PolarHBondContact O-N 3.03Å; E147-R149 PolarHBondContact O-N 3.11Å; E147-W151 WeakPolarHBondContact O-CB 3.39Å; E147-W151 PolarHBondContact O-N 3.44Å; E147-F425 HydrophobicContact CG-CE1 4.11Å; E147-F425 HydrophobicContact CG-CZ 4.45Å
148	E	92.9	Very high	93.3	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.009	17%	0.171	C	C	.	.	H	α-helix	trans	-58.1	-48.4	175.4	-73.3	164.7	-66.3	0	0	111.1	L143 S144 S145 W151 F152 Y421 F425 R427	L143-E148 HydrophobicContact CB-CB 4.28Å; L143-E148 HydrophobicContact CD1-CB 4.26Å; S144-E148 PolarHBondContact OG-OE1 3.43Å; S145-E148 VanDerWaalsContact CB-OE1 3.32Å; S145-E148 WeakPolarHBondContact CB-OE1 3.29Å; S145-E148 PolarHBondContact N-OE1 2.66Å; S145-E148 VanDerWaalsContact N-OE1 3.1Å; S145-E148 PolarHBondContact O-N 3.03Å; S145-E148 WeakPolarHBondContact OG-CB 3.38Å; S145-E148 VanDerWaalsContact OG-CD 3.28Å; S145-E148 WeakPolarHBondContact OG-CG 3.32Å; S145-E148 PolarHBondContact OG-N 2.87Å; S145-E148 VanDerWaalsContact OG-N 3.15Å; S145-E148 PolarHBondContact OG-OE1 3.24Å; E148-W151 PolarHBondContact O-N 3.47Å; E148-F152 VanDerWaalsContact O-CB 3.28Å; E148-F152 WeakPolarHBondContact O-CB 3.35Å; E148-F152 PolarHBondContact O-N 2.96Å; E148-Y421 HydrophobicContact CG-CE2 4.45Å; E148-Y421 PolarHBondContact OE2-OH 2.97Å; E148-F425 HydrophobicContact CB-CE1 4.41Å; E148-F425 HydrophobicContact CB-CZ 4.39Å; E148-F425 HydrophobicContact CG-CD1 3.6Å; E148-F425 HydrophobicContact CG-CD2 4.35Å; E148-F425 HydrophobicContact CG-CE1 3.64Å; E148-F425 HydrophobicContact CG-CE2 4.36Å; E148-F425 HydrophobicContact CG-CG 3.97Å; E148-F425 HydrophobicContact CG-CZ 4.04Å; E148-R427 VanDerWaalsContact CD-NH1 3.3Å; E148-R427 IonicContact OE1-NH1 3.84Å; E148-R427 PolarHBondContact OE1-NH1 3.1Å; E148-R427 VanDerWaalsContact OE1-NH1 3.11Å; E148-R427 VanDerWaalsContact OE2-CD 3.24Å; E148-R427 WeakPolarHBondContact OE2-CD 3.48Å; E148-R427 IonicContact OE2-CZ 2.64Å; E148-R427 IonicContact OE2-NE 3.13Å; E148-R427 IonicContact OE2-NH1 2.69Å; E148-R427 PolarHBondContact OE2-NH1 3.27Å
149	R	93	Very high	93.2	Very high	82 Å²	82	32.8 Å²	32.8	31%	0.309	17%	0.171	S	C	.	.	H	α-helix	trans	-61.8	-48.6	-177	-68	176.8	-159.2	179.7	2.5	112.9	L143 S145 L146 E147 F152 A153	L143-R149 HydrophobicContact CB-CG 3.77Å; L143-R149 HydrophobicContact CD1-CG 4.28Å; L143-R149 VanDerWaalsContact O-CZ 3.26Å; L143-R149 PolarHBondContact O-NE 3.47Å; L143-R149 PolarHBondContact O-NH2 3.15Å; S145-R149 WeakPolarHBondContact O-CG 3.16Å; S145-R149 PolarHBondContact O-N 3.28Å; L146-R149 PolarHBondContact O-N 3.37Å; E147-R149 PolarHBondContact O-N 3.11Å; R149-F152 PolarHBondContact O-N 2.64Å; R149-A153 WeakPolarHBondContact O-CB 3.32Å; R149-A153 PolarHBondContact O-N 2.87Å
150	E	91.3	Very high	92.9	Very high	31 Å²	31	34.8 Å²	34.8	15%	0.145	18%	0.18	C	C	.	.	H	α-helix	trans	-69.7	-40.5	-179.5	-69.3	-59.1	146.6	0	0	111.7	Q49 I53 R70 L146 F152 A153 D154	Q49-E150 HydrophobicContact CG-CB 4.36Å; Q49-E150 HydrophobicContact CG-CG 4.42Å; Q49-E150 VanDerWaalsContact NE2-CG 3.33Å; I53-E150 HydrophobicContact CD1-CG 4.23Å; R70-E150 IonicContact CZ-OE2 2.73Å; R70-E150 IonicContact NH1-OE1 3.89Å; R70-E150 IonicContact NH1-OE2 2.71Å; R70-E150 PolarHBondContact NH1-OE2 2.9Å; L146-E150 HydrophobicContact CD1-CG 3.97Å; L146-E150 HydrophobicContact CG-CG 4.33Å; L146-E150 WeakPolarHBondContact O-CG 3.17Å; L146-E150 PolarHBondContact O-N 3.45Å; E150-F152 VanDerWaalsContact C-N 3.29Å; E150-F152 PolarHBondContact O-N 2.88Å; E150-A153 PolarHBondContact O-N 3.41Å; E150-D154 WeakPolarHBondContact O-CB 3.32Å; E150-D154 PolarHBondContact O-N 3.47Å
151	W	94.2	Very high	92.9	Very high	59 Å²	59	42.4 Å²	42.4	22%	0.223	21%	0.208	C	C	.	.	H	α-helix	trans	-59.9	-43.6	174.7	-179.1	97.3	0	0	0	110.8	E147 E148 D154 R155 L417 D420 Y421 Q424 F425	E147-W151 WeakPolarHBondContact O-CB 3.39Å; E147-W151 PolarHBondContact O-N 3.44Å; E148-W151 PolarHBondContact O-N 3.47Å; W151-D154 PolarHBondContact O-N 2.95Å; W151-R155 HydrophobicContact CD2-CB 4.41Å; W151-R155 HydrophobicContact CE3-CB 4.39Å; W151-R155 HydrophobicContact CH2-CB 4.07Å; W151-R155 HydrophobicContact CH2-CG 3.87Å; W151-R155 HydrophobicContact CZ2-CB 4.16Å; W151-R155 HydrophobicContact CZ2-CG 4Å; W151-R155 HydrophobicContact CZ3-CB 4.2Å; W151-R155 HydrophobicContact CZ3-CG 4.43Å; W151-R155 VanDerWaalsContact O-CB 3.32Å; W151-R155 WeakPolarHBondContact O-CB 3.21Å; W151-R155 PolarHBondContact O-N 3.37Å; W151-L417 HydrophobicContact CH2-CD1 4.19Å; W151-L417 HydrophobicContact CZ3-CD1 3.96Å; W151-D420 VanDerWaalsContact CH2-C 3.47Å; W151-D420 HydrophobicContact CH2-CB 3.66Å; W151-D420 HydrophobicContact CZ2-CB 3.85Å; W151-Y421 HydrophobicContact CE3-CD2 4.05Å; W151-Y421 AromaticContact CZ3-CD2 3.82Å; W151-Y421 HydrophobicContact CZ3-CD2 3.82Å; W151-Y421 HydrophobicContact CZ3-CG 4.24Å; W151-Q424 HydrophobicContact CZ2-CB 4.24Å; W151-F425 HydrophobicContact CB-CE2 3.96Å; W151-F425 HydrophobicContact CB-CZ 3.7Å; W151-F425 AromaticContact CD2-CE2 3.54Å; W151-F425 HydrophobicContact CD2-CE2 3.54Å; W151-F425 HydrophobicContact CD2-CZ 4.15Å; W151-F425 HydrophobicContact CE3-CD2 4.42Å; W151-F425 AromaticContact CE3-CE2 3.59Å; W151-F425 HydrophobicContact CE3-CE2 3.59Å; W151-F425 AromaticContact CG-CE2 3.69Å; W151-F425 HydrophobicContact CG-CE2 3.69Å; W151-F425 AromaticContact CG-CZ 3.78Å; W151-F425 HydrophobicContact CG-CZ 3.78Å; W151-F425 HydrophobicContact CZ3-CE2 4.39Å
152	F	95.5	Very high	92.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.2	-47.6	-178.4	-147.3	-95.4	0	0	0	111.3	V138 T140 L143 E148 R149 E150 F156 A399 I401 L417 Y421	V138-F152 HydrophobicContact CB-CD1 4.02Å; V138-F152 HydrophobicContact CB-CE1 3.65Å; V138-F152 HydrophobicContact CG1-CD1 4.1Å; V138-F152 HydrophobicContact CG1-CE1 3.49Å; V138-F152 VanDerWaalsContact CG1-CE1 3.49Å; V138-F152 HydrophobicContact CG2-CD1 4.36Å; V138-F152 HydrophobicContact CG2-CE1 4.45Å; T140-F152 HydrophobicContact CG2-CB 4.36Å; T140-F152 HydrophobicContact CG2-CD1 4.08Å; L143-F152 HydrophobicContact CD1-CB 4.25Å; L143-F152 HydrophobicContact CD1-CG 4.4Å; E148-F152 VanDerWaalsContact O-CB 3.28Å; E148-F152 WeakPolarHBondContact O-CB 3.35Å; E148-F152 PolarHBondContact O-N 2.96Å; R149-F152 PolarHBondContact O-N 2.64Å; E150-F152 VanDerWaalsContact C-N 3.29Å; E150-F152 PolarHBondContact O-N 2.88Å; F152-F156 WeakPolarHBondContact O-CB 3.45Å; F152-F156 PolarHBondContact O-N 3.47Å; F152-A399 HydrophobicContact CD2-CB 4.36Å; F152-A399 HydrophobicContact CE2-CB 3.62Å; F152-A399 HydrophobicContact CZ-CB 4Å; F152-I401 HydrophobicContact CE1-CG1 4.09Å; F152-I401 HydrophobicContact CZ-CD1 3.98Å; F152-I401 HydrophobicContact CZ-CG1 3.62Å; F152-L417 HydrophobicContact CD1-CD2 4.4Å; F152-L417 HydrophobicContact CE1-CD2 3.78Å; F152-L417 HydrophobicContact CE1-CG 4.4Å; F152-L417 HydrophobicContact CE2-CD1 4.45Å; F152-L417 HydrophobicContact CE2-CG 4.31Å; F152-L417 HydrophobicContact CZ-CD2 3.87Å; F152-L417 HydrophobicContact CZ-CG 4.04Å; F152-Y421 AromaticContact CD2-CD2 3.47Å; F152-Y421 HydrophobicContact CD2-CD2 3.47Å; F152-Y421 VanDerWaalsContact CD2-CD2 3.47Å; F152-Y421 AromaticContact CD2-CE2 3.96Å; F152-Y421 HydrophobicContact CD2-CE2 3.96Å; F152-Y421 HydrophobicContact CD2-CG 4.19Å; F152-Y421 AromaticContact CE2-CD2 3.6Å; F152-Y421 HydrophobicContact CE2-CD2 3.6Å; F152-Y421 HydrophobicContact CE2-CE2 4.21Å; F152-Y421 AromaticContact CE2-CG 3.86Å; F152-Y421 HydrophobicContact CE2-CG 3.86Å
153	A	93.7	Very high	92.8	Very high	1 Å²	1	45 Å²	45	1%	0.008	23%	0.225	C	C	.	.	H	α-helix	trans	-63	-43.3	178.2	0	0	0	0	0	111.9	R70 R149 E150 E157	R70-A153 HydrophobicContact CG-CB 4.4Å; R70-A153 VanDerWaalsContact CZ-CB 3.5Å; R149-A153 WeakPolarHBondContact O-CB 3.32Å; R149-A153 PolarHBondContact O-N 2.87Å; E150-A153 PolarHBondContact O-N 3.41Å; A153-E157 WeakPolarHBondContact O-CB 3.28Å; A153-E157 VanDerWaalsContact O-CG 3.27Å; A153-E157 WeakPolarHBondContact O-CG 3.21Å; A153-E157 PolarHBondContact O-N 2.94Å
154	D	93.8	Very high	93	Very high	22 Å²	22	45.8 Å²	45.8	12%	0.118	23%	0.229	C	C	.	.	H	α-helix	trans	-65.7	-50.5	-179.9	-162.3	66.2	0	0	0	112.1	R52 R112 H113 E150 W151 F156 E157 E158	R52-D154 IonicContact CZ-OD1 3.94Å; R52-D154 VanDerWaalsContact NH1-CG 3.3Å; R52-D154 IonicContact NH1-OD1 4Å; R52-D154 PolarHBondContact NH1-OD1 2.64Å; R52-D154 IonicContact NH1-OD2 3.2Å; R52-D154 PolarHBondContact NH1-OD2 2.98Å; R52-D154 IonicContact NH2-OD1 3.78Å; R52-D154 PolarHBondContact NH2-OD1 3.43Å; R112-D154 VanDerWaalsContact CD-OD1 3.29Å; R112-D154 WeakPolarHBondContact CD-OD1 3.46Å; R112-D154 IonicContact CZ-OD2 2.8Å; R112-D154 IonicContact NH1-OD1 3.01Å; R112-D154 IonicContact NH1-OD2 2.7Å; R112-D154 PolarHBondContact NH1-OD2 3.38Å; H113-D154 IonicContact CD2-OD1 3.71Å; H113-D154 PolarHBondContact NE2-O 3.41Å; H113-D154 IonicContact NE2-OD1 2.76Å; H113-D154 PolarHBondContact NE2-OD1 3.28Å; E150-D154 WeakPolarHBondContact O-CB 3.32Å; E150-D154 PolarHBondContact O-N 3.47Å; W151-D154 PolarHBondContact O-N 2.95Å; D154-F156 VanDerWaalsContact C-N 3.28Å; D154-F156 PolarHBondContact O-N 3.44Å; D154-E157 PolarHBondContact O-N 3.41Å; D154-E158 WeakPolarHBondContact O-CB 3.31Å; D154-E158 PolarHBondContact O-N 3.44Å
155	R	96.4	Very high	93.6	Very high	43 Å²	43	44.8 Å²	44.8	16%	0.162	22%	0.222	C	C	.	.	H	α-helix	trans	-64.8	-35.3	179.2	-173.7	57.9	178.9	142.7	6	111.6	W151 E158 L159 E162 L417 D420	W151-R155 HydrophobicContact CD2-CB 4.41Å; W151-R155 HydrophobicContact CE3-CB 4.39Å; W151-R155 HydrophobicContact CH2-CB 4.07Å; W151-R155 HydrophobicContact CH2-CG 3.87Å; W151-R155 HydrophobicContact CZ2-CB 4.16Å; W151-R155 HydrophobicContact CZ2-CG 4Å; W151-R155 HydrophobicContact CZ3-CB 4.2Å; W151-R155 HydrophobicContact CZ3-CG 4.43Å; W151-R155 VanDerWaalsContact O-CB 3.32Å; W151-R155 WeakPolarHBondContact O-CB 3.21Å; W151-R155 PolarHBondContact O-N 3.37Å; R155-E158 WeakPolarHBondContact CD-OE2 3.37Å; R155-E158 IonicContact CZ-OE2 3.95Å; R155-E158 IonicContact NE-OE2 3.8Å; R155-E158 IonicContact NH1-OE2 2.87Å; R155-E158 PolarHBondContact NH1-OE2 3.2Å; R155-E158 PolarHBondContact O-N 3.15Å; R155-L159 HydrophobicContact CG-CD1 4.11Å; R155-L159 WeakPolarHBondContact O-CB 3.04Å; R155-L159 WeakPolarHBondContact O-CG 3.46Å; R155-L159 PolarHBondContact O-N 3.13Å; R155-E162 IonicContact CZ-OE1 3.36Å; R155-E162 IonicContact NH1-OE1 4Å; R155-E162 PolarHBondContact NH1-OE1 3.19Å; R155-E162 IonicContact NH2-OE1 3.38Å; R155-L417 HydrophobicContact CB-CD1 3.97Å; R155-L417 HydrophobicContact CG-CD1 3.74Å; R155-D420 IonicContact CZ-OD2 3.71Å; R155-D420 IonicContact NE-OD2 3.74Å; R155-D420 PolarHBondContact NE-OD2 2.96Å; R155-D420 IonicContact NH2-OD2 2.82Å; R155-D420 PolarHBondContact NH2-OD2 3.2Å
156	F	97.4	Very high	93.9	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.009	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-48.8	174	-180	-113.1	0	0	0	112.6	V131 Y132 L136 V138 F152 D154 E158 L159 K160 L417	V131-F156 HydrophobicContact CG1-CD1 4.01Å; V131-F156 HydrophobicContact CG1-CE1 3.79Å; V131-F156 VanDerWaalsContact O-CE1 3.28Å; V131-F156 WeakPolarHBondContact O-CE1 3.17Å; V131-F156 WeakPolarHBondContact O-CZ 3.5Å; Y132-F156 HydrophobicContact CD1-CD1 4.04Å; Y132-F156 AromaticContact CD1-CE1 3.71Å; Y132-F156 HydrophobicContact CD1-CE1 3.71Å; Y132-F156 AromaticContact CE1-CD1 3.69Å; Y132-F156 HydrophobicContact CE1-CD1 3.69Å; Y132-F156 AromaticContact CE1-CE1 3.87Å; Y132-F156 HydrophobicContact CE1-CE1 3.87Å; L136-F156 HydrophobicContact CD1-CE2 4.37Å; L136-F156 HydrophobicContact CD2-CE2 3.9Å; L136-F156 HydrophobicContact CG-CE2 3.73Å; L136-F156 HydrophobicContact CG-CZ 4.3Å; V138-F156 HydrophobicContact CG1-CD1 4.48Å; V138-F156 HydrophobicContact CG1-CD2 3.57Å; V138-F156 HydrophobicContact CG1-CE2 3.64Å; V138-F156 HydrophobicContact CG1-CG 4Å; V138-F156 HydrophobicContact CG1-CZ 4.16Å; V138-F156 HydrophobicContact CG2-CD1 3.99Å; V138-F156 HydrophobicContact CG2-CE1 4.11Å; V138-F156 HydrophobicContact CG2-CG 4.19Å; V138-F156 HydrophobicContact CG2-CZ 4.43Å; F152-F156 WeakPolarHBondContact O-CB 3.45Å; F152-F156 PolarHBondContact O-N 3.47Å; D154-F156 VanDerWaalsContact C-N 3.28Å; D154-F156 PolarHBondContact O-N 3.44Å; F156-E158 VanDerWaalsContact C-N 3.28Å; F156-E158 PolarHBondContact O-N 3.15Å; F156-L159 PolarHBondContact O-N 3.09Å; F156-K160 HydrophobicContact CZ-CG 4.43Å; F156-K160 WeakPolarHBondContact O-CG 3.41Å; F156-K160 PolarHBondContact O-N 2.83Å; F156-L417 HydrophobicContact CB-CD2 4.21Å; F156-L417 HydrophobicContact CD2-CD2 3.81Å; F156-L417 HydrophobicContact CG-CD2 4.48Å
157	E	95.7	Very high	94.3	Very high	3 Å²	3	47.2 Å²	47.2	1%	0.014	23%	0.231	C	C	.	.	H	α-helix	trans	-61.3	-35.8	176	-75.4	172.5	-142.5	0	0	112	R70 H113 Y127 V131 Y132 A153 D154	R70-E157 IonicContact CZ-OE1 2.96Å; R70-E157 IonicContact NE-OE1 2.75Å; R70-E157 IonicContact NH2-OE1 3.17Å; R70-E157 PolarHBondContact NH2-OE1 2.88Å; H113-E157 HydrophobicContact CB-CB 4.06Å; H113-E157 VanDerWaalsContact CD2-CB 3.45Å; H113-E157 WeakPolarHBondContact CD2-CB 3.38Å; H113-E157 IonicContact CD2-OE2 3.73Å; H113-E157 PolarHBondContact CD2-OE2 2.91Å; H113-E157 IonicContact CG-OE2 3.63Å; Y127-E157 PolarHBondContact OH-OE2 3.21Å; V131-E157 HydrophobicContact CG1-CG 3.92Å; Y132-E157 PolarHBondContact OH-OE1 2.97Å; A153-E157 WeakPolarHBondContact O-CB 3.28Å; A153-E157 VanDerWaalsContact O-CG 3.27Å; A153-E157 WeakPolarHBondContact O-CG 3.21Å; A153-E157 PolarHBondContact O-N 2.94Å; D154-E157 PolarHBondContact O-N 3.41Å
158	E	95.4	Very high	94.7	Very high	66 Å²	66	45.8 Å²	45.8	31%	0.308	23%	0.225	S	C	.	.	H	α-helix	trans	-66.5	-53.9	175.8	-173.5	176.7	-140.6	0	0	112.2	D154 R155 F156 K160 R161 E162	D154-E158 WeakPolarHBondContact O-CB 3.31Å; D154-E158 PolarHBondContact O-N 3.44Å; R155-E158 WeakPolarHBondContact CD-OE2 3.37Å; R155-E158 IonicContact CZ-OE2 3.95Å; R155-E158 IonicContact NE-OE2 3.8Å; R155-E158 IonicContact NH1-OE2 2.87Å; R155-E158 PolarHBondContact NH1-OE2 3.2Å; R155-E158 PolarHBondContact O-N 3.15Å; F156-E158 VanDerWaalsContact C-N 3.28Å; F156-E158 PolarHBondContact O-N 3.15Å; E158-K160 PolarHBondContact O-N 2.84Å; E158-R161 WeakPolarHBondContact O-CB 3.34Å; E158-R161 PolarHBondContact O-N 2.82Å; E158-E162 PolarHBondContact O-N 3.35Å
159	L	95.7	Very high	94.9	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-58.9	-32.5	-179.2	-78.3	168.8	0	0	0	112.6	R155 F156 R161 E162 R413 R416 L417	R155-L159 HydrophobicContact CG-CD1 4.11Å; R155-L159 WeakPolarHBondContact O-CB 3.04Å; R155-L159 WeakPolarHBondContact O-CG 3.46Å; R155-L159 PolarHBondContact O-N 3.13Å; F156-L159 PolarHBondContact O-N 3.09Å; L159-R161 PolarHBondContact O-N 3.46Å; L159-E162 WeakPolarHBondContact CD2-OE2 3.42Å; L159-E162 PolarHBondContact O-N 3.02Å; L159-E162 VanDerWaalsContact O-N 3.16Å; L159-R413 VanDerWaalsContact O-CD 3.29Å; L159-R413 WeakPolarHBondContact O-CD 3.48Å; L159-R413 PolarHBondContact O-NE 3.48Å; L159-R416 HydrophobicContact CD1-CB 4.3Å; L159-R416 HydrophobicContact CD2-CB 3.93Å; L159-L417 HydrophobicContact CD1-CB 3.59Å; L159-L417 HydrophobicContact CD1-CD1 4.15Å; L159-L417 HydrophobicContact CD1-CG 4.4Å
160	K	92.9	Very high	95.2	Very high	50 Å²	50	47 Å²	47	22%	0.217	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.4	174.9	-80.3	-66.5	-170	-179.4	0	114	F156 E158 D410	F156-K160 HydrophobicContact CZ-CG 4.43Å; F156-K160 WeakPolarHBondContact O-CG 3.41Å; F156-K160 PolarHBondContact O-N 2.83Å; E158-K160 PolarHBondContact O-N 2.84Å; K160-D410 IonicContact NZ-OD1 2.89Å; K160-D410 PolarHBondContact NZ-OD1 2.86Å; K160-D410 IonicContact NZ-OD2 3.77Å; K160-D410 PolarHBondContact NZ-OD2 2.88Å
161	R	89.8	Confident	95.5	Very high	165 Å²	165	48.5 Å²	48.5	62%	0.623	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-16	176.5	-63.9	175.2	54.8	168.1	-7.7	113	H113 E158 L159	H113-R161 PolarHBondContact O-NH1 3.2Å; E158-R161 WeakPolarHBondContact O-CB 3.34Å; E158-R161 PolarHBondContact O-N 2.82Å; L159-R161 PolarHBondContact O-N 3.46Å
162	E	91.2	Very high	95.7	Very high	61 Å²	61	46 Å²	46	29%	0.285	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-73.7	127.2	177.6	-65.3	179.8	-161.7	0	0	110.1	R155 E158 L159 R413 R416	R155-E162 IonicContact CZ-OE1 3.36Å; R155-E162 IonicContact NH1-OE1 4Å; R155-E162 PolarHBondContact NH1-OE1 3.19Å; R155-E162 IonicContact NH2-OE1 3.38Å; E158-E162 PolarHBondContact O-N 3.35Å; L159-E162 WeakPolarHBondContact CD2-OE2 3.42Å; L159-E162 PolarHBondContact O-N 3.02Å; L159-E162 VanDerWaalsContact O-N 3.16Å; E162-R413 PolarHBondContact O-NE 3.27Å; E162-R413 PolarHBondContact O-NH2 2.92Å; E162-R416 IonicContact OE2-NH1 3.95Å
163	G	91.9	Very high	95.9	Very high	61 Å²	61	46 Å²	46	63%	0.629	23%	0.23	S	C	*	.	P	Polyproline II helix	trans	-91.6	158.8	170.6	0	0	0	0	0	111.2
164	F	96.8	Very high	96.1	Very high	17 Å²	17	50.1 Å²	50.1	8%	0.075	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-96.3	143.5	171.9	-64	-79.4	0	0	0	110.5	E168 K169 E409 L412 R413 R416	F164-E168 HydrophobicContact CB-CB 4.26Å; F164-E168 HydrophobicContact CD1-CB 4.46Å; F164-K169 HydrophobicContact CB-CG 3.97Å; F164-E409 HydrophobicContact CD2-CB 3.87Å; F164-E409 HydrophobicContact CD2-CG 3.96Å; F164-E409 HydrophobicContact CE2-CB 3.74Å; F164-E409 HydrophobicContact CE2-CG 4.32Å; F164-E409 VanDerWaalsContact CE2-O 3.24Å; F164-E409 WeakPolarHBondContact CE2-O 3.25Å; F164-E409 WeakPolarHBondContact CZ-O 3.39Å; F164-L412 HydrophobicContact CD1-CD1 4.02Å; F164-L412 HydrophobicContact CE1-CB 3.66Å; F164-L412 HydrophobicContact CE1-CD1 3.7Å; F164-L412 HydrophobicContact CE1-CG 4.34Å; F164-L412 HydrophobicContact CE2-CB 4.42Å; F164-L412 HydrophobicContact CZ-CB 3.5Å; F164-L412 VanDerWaalsContact CZ-CB 3.5Å; F164-L412 HydrophobicContact CZ-CD1 4.15Å; F164-L412 HydrophobicContact CZ-CG 4.4Å; F164-R413 HydrophobicContact CE2-CG 3.88Å; F164-R413 VanDerWaalsContact CE2-CZ 3.48Å; F164-R413 HydrophobicContact CZ-CG 3.69Å; F164-R416 VanDerWaalsContact CE1-CZ 3.45Å
165	S	97.4	Very high	96.4	Very high	40 Å²	40	49.6 Å²	49.6	28%	0.28	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-64.1	153.2	171.5	61.5	0	0	0	0	111.2	E167 E168 K169	S165-E167 PolarHBondContact O-N 3.17Å; S165-E168 WeakPolarHBondContact CB-OE2 3.45Å; S165-E168 PolarHBondContact N-OE2 3.03Å; S165-E168 PolarHBondContact O-N 3.42Å; S165-E168 WeakPolarHBondContact OG-CB 3.38Å; S165-E168 VanDerWaalsContact OG-CG 3.23Å; S165-E168 WeakPolarHBondContact OG-CG 3.46Å; S165-E168 PolarHBondContact OG-N 2.86Å; S165-E168 PolarHBondContact OG-OE2 2.81Å; S165-K169 WeakPolarHBondContact O-CG 3.34Å; S165-K169 PolarHBondContact O-N 3.25Å
166	P	97.9	Very high	96.5	Very high	56 Å²	56	47.5 Å²	47.5	36%	0.364	24%	0.237	S	C	.	.	H	α-helix	trans	-50.4	-38.2	171.9	-30.4	38.3	0	0	0	113.4	K169 K170 L477	P166-K169 PolarHBondContact O-N 2.99Å; P166-K170 WeakPolarHBondContact O-CB 3.39Å; P166-K170 VanDerWaalsContact O-CG 3.3Å; P166-K170 WeakPolarHBondContact O-CG 3.43Å; P166-K170 PolarHBondContact O-N 3.42Å; P166-L477 HydrophobicContact CB-CD2 4.1Å; P166-L477 HydrophobicContact CG-CD2 4.25Å
167	E	97.5	Very high	96.5	Very high	131 Å²	131	47.4 Å²	47.4	61%	0.612	24%	0.237	S	C	*	.	H	α-helix	trans	-67.1	-45.4	-179.7	-66.8	69.5	-154	0	0	111.8	S165 K169 K170 H171	S165-E167 PolarHBondContact O-N 3.17Å; E167-K169 VanDerWaalsContact C-N 3.33Å; E167-K169 PolarHBondContact O-N 2.86Å; E167-K170 PolarHBondContact O-N 3.48Å; E167-H171 VanDerWaalsContact O-CB 3.28Å; E167-H171 WeakPolarHBondContact O-CB 3.38Å; E167-H171 PolarHBondContact O-N 3Å
168	E	97.4	Very high	96.7	Very high	65 Å²	65	48.8 Å²	48.8	30%	0.304	24%	0.243	S	C	.	.	H	α-helix	trans	-59	-45.9	174.2	-75.9	165.7	114.6	0	0	110.9	F164 S165 H171 L172 R416	F164-E168 HydrophobicContact CB-CB 4.26Å; F164-E168 HydrophobicContact CD1-CB 4.46Å; S165-E168 WeakPolarHBondContact CB-OE2 3.45Å; S165-E168 PolarHBondContact N-OE2 3.03Å; S165-E168 PolarHBondContact O-N 3.42Å; S165-E168 WeakPolarHBondContact OG-CB 3.38Å; S165-E168 VanDerWaalsContact OG-CG 3.23Å; S165-E168 WeakPolarHBondContact OG-CG 3.46Å; S165-E168 PolarHBondContact OG-N 2.86Å; S165-E168 PolarHBondContact OG-OE2 2.81Å; E168-H171 PolarHBondContact O-N 3.33Å; E168-L172 WeakPolarHBondContact O-CB 3.23Å; E168-L172 PolarHBondContact O-N 3.32Å; E168-R416 IonicContact OE1-CZ 3.58Å; E168-R416 IonicContact OE1-NH2 3.75Å; E168-R416 PolarHBondContact OE1-NH2 2.78Å
169	K	98.6	Very high	96.9	Very high	26 Å²	26	45.9 Å²	45.9	11%	0.113	23%	0.23	C	C	.	.	H	α-helix	trans	-61.6	-49	178.8	-68.5	-174.1	174.5	-133.1	0	112.2	F164 S165 P166 E167 H171 L172 A173 E409 Y468 L472 E475 L477	F164-K169 HydrophobicContact CB-CG 3.97Å; S165-K169 WeakPolarHBondContact O-CG 3.34Å; S165-K169 PolarHBondContact O-N 3.25Å; P166-K169 PolarHBondContact O-N 2.99Å; E167-K169 VanDerWaalsContact C-N 3.33Å; E167-K169 PolarHBondContact O-N 2.86Å; K169-H171 VanDerWaalsContact C-N 3.32Å; K169-H171 PolarHBondContact O-N 2.79Å; K169-L172 PolarHBondContact O-N 2.96Å; K169-A173 PolarHBondContact O-N 2.86Å; K169-E409 WeakPolarHBondContact CD-OE1 3.32Å; K169-E409 WeakPolarHBondContact CE-OE1 3.45Å; K169-E409 IonicContact NZ-OE1 2.77Å; K169-E409 PolarHBondContact NZ-OE1 2.87Å; K169-E409 IonicContact NZ-OE2 2.8Å; K169-Y468 WeakPolarHBondContact CB-OH 3.48Å; K169-Y468 WeakPolarHBondContact CG-OH 3.11Å; K169-L472 HydrophobicContact CB-CD1 4.3Å; K169-L472 HydrophobicContact CB-CD2 3.93Å; K169-L472 HydrophobicContact CD-CD2 3.97Å; K169-L472 HydrophobicContact CG-CD2 4.46Å; K169-E475 IonicContact NZ-OE1 3.11Å; K169-E475 IonicContact NZ-OE2 3.75Å; K169-E475 PolarHBondContact NZ-OE2 3.49Å; K169-L477 HydrophobicContact CD-CD1 3.69Å
170	K	98.4	Very high	97	Very high	83 Å²	83	46.9 Å²	46.9	36%	0.361	23%	0.234	S	C	.	.	H	α-helix	trans	-63	-39.4	177.4	-70.5	-174	-154.1	-140.7	0	111.7	P166 E167 A173 K174 L477	P166-K170 WeakPolarHBondContact O-CB 3.39Å; P166-K170 VanDerWaalsContact O-CG 3.3Å; P166-K170 WeakPolarHBondContact O-CG 3.43Å; P166-K170 PolarHBondContact O-N 3.42Å; E167-K170 PolarHBondContact O-N 3.48Å; K170-A173 PolarHBondContact O-N 2.93Å; K170-K174 WeakPolarHBondContact O-CB 3.41Å; K170-K174 PolarHBondContact O-N 2.94Å; K170-L477 WeakPolarHBondContact CE-O 3.32Å; K170-L477 PolarHBondContact NZ-O 3.18Å
171	H	98.4	Very high	97.3	Very high	64 Å²	64	45.4 Å²	45.4	30%	0.296	23%	0.229	S	C	.	.	H	α-helix	trans	-65.1	-44.4	177.6	-172.2	58.5	0	0	0	111.7	E167 E168 K169 A173 K174 L175 Y209	E167-H171 VanDerWaalsContact O-CB 3.28Å; E167-H171 WeakPolarHBondContact O-CB 3.38Å; E167-H171 PolarHBondContact O-N 3Å; E168-H171 PolarHBondContact O-N 3.33Å; K169-H171 VanDerWaalsContact C-N 3.32Å; K169-H171 PolarHBondContact O-N 2.79Å; H171-A173 PolarHBondContact O-N 2.78Å; H171-K174 WeakPolarHBondContact O-CB 3.3Å; H171-K174 PolarHBondContact O-N 2.94Å; H171-L175 WeakPolarHBondContact O-CG 3.47Å; H171-L175 PolarHBondContact O-N 3.39Å; H171-Y209 AromaticContact CD2-CE1 3.65Å; H171-Y209 AromaticContact CD2-CE2 3.84Å; H171-Y209 AromaticContact CD2-CZ 3.5Å; H171-Y209 AromaticContact NE2-CD2 3.59Å; H171-Y209 AromaticContact NE2-CE1 3.92Å; H171-Y209 AromaticContact NE2-CE2 3.2Å; H171-Y209 WeakPolarHBondContact NE2-CE2 3.37Å; H171-Y209 AromaticContact NE2-CZ 3.37Å
172	L	98.6	Very high	97.7	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.026	20%	0.199	C	C	.	.	H	α-helix	trans	-57.7	-47.8	174.3	177.6	59.6	0	0	0	111.8	E168 K169 K174 L175 M176 A408 E409 L412 Y468	E168-L172 WeakPolarHBondContact O-CB 3.23Å; E168-L172 PolarHBondContact O-N 3.32Å; K169-L172 PolarHBondContact O-N 2.96Å; L172-K174 VanDerWaalsContact C-N 3.33Å; L172-K174 PolarHBondContact O-N 3.27Å; L172-L175 PolarHBondContact O-N 3.24Å; L172-M176 HydrophobicContact CD1-CE 4.43Å; L172-M176 HydrophobicContact CD1-CG 4.47Å; L172-M176 HydrophobicContact CD1-SD 4.41Å; L172-M176 HydrophobicContact CG-CE 4.06Å; L172-M176 WeakPolarHBondContact O-CG 3.37Å; L172-M176 PolarHBondContact O-N 2.72Å; L172-M176 VanDerWaalsContact O-N 3.16Å; L172-A408 HydrophobicContact CD1-CB 4.49Å; L172-A408 HydrophobicContact CD2-CB 3.69Å; L172-A408 HydrophobicContact CG-CB 4.19Å; L172-E409 HydrophobicContact CD2-CG 4.47Å; L172-L412 HydrophobicContact CD1-CD2 4.19Å; L172-L412 HydrophobicContact CD2-CD1 3.86Å; L172-L412 HydrophobicContact CD2-CG 4.04Å; L172-Y468 HydrophobicContact CB-CE1 4.27Å; L172-Y468 HydrophobicContact CD2-CE1 3.96Å; L172-Y468 HydrophobicContact CG-CE1 4.03Å
173	A	98.8	Very high	98.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.9	-45.1	175.7	0	0	0	0	0	111.7	K169 K170 H171 L175 M176 L177 Y468 L472	K169-A173 PolarHBondContact O-N 2.86Å; K170-A173 PolarHBondContact O-N 2.93Å; H171-A173 PolarHBondContact O-N 2.78Å; A173-L175 PolarHBondContact O-N 2.95Å; A173-M176 PolarHBondContact O-N 3.08Å; A173-L177 WeakPolarHBondContact O-CB 3.34Å; A173-L177 WeakPolarHBondContact O-CD1 3.31Å; A173-L177 WeakPolarHBondContact O-CG 3.41Å; A173-L177 PolarHBondContact O-N 3.41Å; A173-Y468 HydrophobicContact CB-CD1 3.82Å; A173-Y468 HydrophobicContact CB-CE1 3.94Å; A173-L472 HydrophobicContact CB-CD1 3.62Å
174	K	98.8	Very high	98.4	Very high	88 Å²	88	36.2 Å²	36.2	38%	0.383	18%	0.176	S	C	.	.	H	α-helix	trans	-58	-49.5	177.3	-179.7	178	173.8	178.8	0	112	K170 H171 L172 M176 L177 E178 I486	K170-K174 WeakPolarHBondContact O-CB 3.41Å; K170-K174 PolarHBondContact O-N 2.94Å; H171-K174 WeakPolarHBondContact O-CB 3.3Å; H171-K174 PolarHBondContact O-N 2.94Å; L172-K174 VanDerWaalsContact C-N 3.33Å; L172-K174 PolarHBondContact O-N 3.27Å; K174-M176 VanDerWaalsContact C-N 3.3Å; K174-M176 PolarHBondContact O-N 3.23Å; K174-L177 PolarHBondContact O-N 2.83Å; K174-E178 WeakPolarHBondContact CE-OE1 3.33Å; K174-E178 HydrophobicContact CG-CG 4.27Å; K174-E178 IonicContact NZ-OE1 3.42Å; K174-E178 WeakPolarHBondContact O-CB 3.45Å; K174-E178 WeakPolarHBondContact O-CG 3.45Å; K174-E178 PolarHBondContact O-N 3.5Å; K174-I486 HydrophobicContact CB-CD1 4.28Å; K174-I486 HydrophobicContact CG-CD1 4.38Å; K174-I486 HydrophobicContact CG-CG2 4.08Å
175	L	98.8	Very high	98.5	Very high	11 Å²	11	35.4 Å²	35.4	6%	0.058	17%	0.172	C	C	.	.	H	α-helix	trans	-57.5	-43.5	179.4	-71.8	175.1	0	0	0	112.1	H171 L172 A173 S179 M205 Y209 L239	H171-L175 WeakPolarHBondContact O-CG 3.47Å; H171-L175 PolarHBondContact O-N 3.39Å; L172-L175 PolarHBondContact O-N 3.24Å; A173-L175 PolarHBondContact O-N 2.95Å; L175-S179 WeakPolarHBondContact O-CB 3.45Å; L175-S179 PolarHBondContact O-N 3.05Å; L175-M205 HydrophobicContact CB-CB 4.4Å; L175-Y209 HydrophobicContact CD1-CD1 4.42Å; L175-Y209 HydrophobicContact CD1-CD2 4.17Å; L175-Y209 HydrophobicContact CD1-CG 3.84Å; L175-L239 HydrophobicContact CD2-CD2 3.89Å
176	M	98.8	Very high	98.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-69.8	-40.7	179.4	-68.8	-168.6	-59.2	0	0	112.1	L172 A173 K174 S179 Q180 E202 A408 V464 P465 Y468	L172-M176 HydrophobicContact CD1-CE 4.43Å; L172-M176 HydrophobicContact CD1-CG 4.47Å; L172-M176 HydrophobicContact CD1-SD 4.41Å; L172-M176 HydrophobicContact CG-CE 4.06Å; L172-M176 WeakPolarHBondContact O-CG 3.37Å; L172-M176 PolarHBondContact O-N 2.72Å; L172-M176 VanDerWaalsContact O-N 3.16Å; A173-M176 PolarHBondContact O-N 3.08Å; K174-M176 VanDerWaalsContact C-N 3.3Å; K174-M176 PolarHBondContact O-N 3.23Å; M176-S179 PolarHBondContact O-N 3.14Å; M176-Q180 PolarHBondContact O-N 2.86Å; M176-E202 HydrophobicContact CB-CB 4.16Å; M176-E202 HydrophobicContact CG-CB 4.21Å; M176-A408 HydrophobicContact CE-CB 3.6Å; M176-A408 HydrophobicContact SD-CB 3.74Å; M176-V464 HydrophobicContact SD-CG1 4.24Å; M176-P465 HydrophobicContact CB-CB 3.85Å; M176-P465 HydrophobicContact CB-CG 3.94Å; M176-P465 WeakPolarHBondContact O-CG 3.4Å; M176-Y468 HydrophobicContact CE-CD1 3.31Å; M176-Y468 HydrophobicContact CE-CE1 4.1Å; M176-Y468 HydrophobicContact CE-CG 3.77Å
177	L	98.9	Very high	98.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.6	-44.8	176.7	-72.2	167.1	0	0	0	111.5	A173 K174 S179 Q180 E181 P465 M478 R483 I486 K487	A173-L177 WeakPolarHBondContact O-CB 3.34Å; A173-L177 WeakPolarHBondContact O-CD1 3.31Å; A173-L177 WeakPolarHBondContact O-CG 3.41Å; A173-L177 PolarHBondContact O-N 3.41Å; K174-L177 PolarHBondContact O-N 2.83Å; L177-S179 VanDerWaalsContact C-N 3.32Å; L177-S179 PolarHBondContact O-N 3.16Å; L177-Q180 PolarHBondContact O-N 3.41Å; L177-E181 VanDerWaalsContact O-CB 3.31Å; L177-E181 WeakPolarHBondContact O-CB 3.43Å; L177-E181 PolarHBondContact O-N 3.13Å; L177-P465 HydrophobicContact CD2-CB 3.98Å; L177-P465 HydrophobicContact CG-CB 4.27Å; L177-M478 HydrophobicContact CD1-CE 4.25Å; L177-R483 HydrophobicContact CD1-CG 4.22Å; L177-R483 HydrophobicContact CD2-CG 4.31Å; L177-I486 HydrophobicContact CB-CG2 3.97Å; L177-I486 HydrophobicContact CD1-CD1 4.31Å; L177-I486 HydrophobicContact CD1-CG2 4.36Å; L177-K487 VanDerWaalsContact CD2-CE 3.42Å
178	E	98.9	Very high	98.7	Very high	31 Å²	31	29.9 Å²	29.9	15%	0.145	15%	0.149	C	C	.	.	H	α-helix	trans	-62.6	-39.2	175.4	-71.2	179.9	162.1	0	0	111.4	K174 E181 F182 I486 Y490	K174-E178 WeakPolarHBondContact CE-OE1 3.33Å; K174-E178 HydrophobicContact CG-CG 4.27Å; K174-E178 IonicContact NZ-OE1 3.42Å; K174-E178 WeakPolarHBondContact O-CB 3.45Å; K174-E178 WeakPolarHBondContact O-CG 3.45Å; K174-E178 PolarHBondContact O-N 3.5Å; E178-E181 PolarHBondContact O-N 3.09Å; E178-F182 VanDerWaalsContact O-CB 3.29Å; E178-F182 WeakPolarHBondContact O-CB 3.33Å; E178-F182 PolarHBondContact O-N 3.42Å; E178-I486 HydrophobicContact CG-CG2 4.13Å; E178-Y490 HydrophobicContact CB-CD1 4.04Å; E178-Y490 HydrophobicContact CB-CD2 4.02Å; E178-Y490 HydrophobicContact CB-CE1 4.05Å; E178-Y490 HydrophobicContact CB-CE2 4.04Å; E178-Y490 HydrophobicContact CB-CG 4.02Å; E178-Y490 HydrophobicContact CG-CD1 4.29Å; E178-Y490 HydrophobicContact CG-CD2 3.61Å; E178-Y490 HydrophobicContact CG-CE2 4.02Å; E178-Y490 HydrophobicContact CG-CG 3.76Å; E178-Y490 WeakPolarHBondContact O-CE1 3.31Å
179	S	98.9	Very high	98.7	Very high	6 Å²	6	30.3 Å²	30.3	4%	0.042	15%	0.15	C	C	.	.	H	α-helix	trans	-63.3	-43.2	174.7	178.8	0	0	0	0	112.8	L175 M176 L177 F182 D183 N234	L175-S179 WeakPolarHBondContact O-CB 3.45Å; L175-S179 PolarHBondContact O-N 3.05Å; M176-S179 PolarHBondContact O-N 3.14Å; L177-S179 VanDerWaalsContact C-N 3.32Å; L177-S179 PolarHBondContact O-N 3.16Å; S179-F182 WeakPolarHBondContact O-CB 3.48Å; S179-D183 PolarHBondContact O-N 3.16Å; S179-N234 PolarHBondContact O-ND2 2.75Å; S179-N234 VanDerWaalsContact O-ND2 3.15Å; S179-N234 PolarHBondContact OG-ND2 3.3Å
180	Q	98.9	Very high	98.7	Very high	24 Å²	24	29.5 Å²	29.5	11%	0.112	15%	0.146	C	C	.	.	H	α-helix	trans	-66	-43.4	175.1	178.4	-177.3	-78.9	0	0	111.5	M176 L177 F182 D183 H184 S463 P465 D466	M176-Q180 PolarHBondContact O-N 2.86Å; L177-Q180 PolarHBondContact O-N 3.41Å; Q180-F182 VanDerWaalsContact C-N 3.29Å; Q180-F182 PolarHBondContact O-N 3.15Å; Q180-D183 PolarHBondContact O-N 3.32Å; Q180-H184 WeakPolarHBondContact O-CB 3.35Å; Q180-H184 PolarHBondContact O-N 3.48Å; Q180-S463 PolarHBondContact OE1-OG 3.07Å; Q180-P465 HydrophobicContact CB-CG 3.97Å; Q180-D466 PolarHBondContact NE2-OD1 3.33Å; Q180-D466 PolarHBondContact NE2-OD2 3.32Å
181	E	98.8	Very high	98.6	Very high	20 Å²	20	28.6 Å²	28.6	9%	0.093	15%	0.154	C	C	.	.	H	α-helix	trans	-66.5	-34	-179.7	-161.9	63.3	-147.1	0	0	111.7	L177 E178 H184 F185 K487 Y490 Y491	L177-E181 VanDerWaalsContact O-CB 3.31Å; L177-E181 WeakPolarHBondContact O-CB 3.43Å; L177-E181 PolarHBondContact O-N 3.13Å; E178-E181 PolarHBondContact O-N 3.09Å; E181-H184 PolarHBondContact O-N 3.43Å; E181-H184 IonicContact OE1-CD2 3.47Å; E181-H184 PolarHBondContact OE1-CD2 3.04Å; E181-F185 WeakPolarHBondContact O-CB 3.4Å; E181-F185 PolarHBondContact O-N 2.93Å; E181-K487 HydrophobicContact CG-CB 4.32Å; E181-K487 WeakPolarHBondContact CG-O 3.07Å; E181-K487 WeakPolarHBondContact OE2-CB 3.42Å; E181-K487 WeakPolarHBondContact OE2-CG 3.34Å; E181-Y490 HydrophobicContact CB-CD1 4.31Å; E181-Y491 HydrophobicContact CG-CD2 4.35Å; E181-Y491 WeakPolarHBondContact OE1-CD2 3.49Å
182	F	98.9	Very high	98.5	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	18%	0.175	C	C	.	.	H	α-helix	trans	-57.9	-51.6	170.3	177.4	-102.3	0	0	0	111.8	E178 S179 Q180 H184 F185 L186 L233 T237 M247 Y490 L494	E178-F182 VanDerWaalsContact O-CB 3.29Å; E178-F182 WeakPolarHBondContact O-CB 3.33Å; E178-F182 PolarHBondContact O-N 3.42Å; S179-F182 WeakPolarHBondContact O-CB 3.48Å; Q180-F182 VanDerWaalsContact C-N 3.29Å; Q180-F182 PolarHBondContact O-N 3.15Å; F182-H184 VanDerWaalsContact C-N 3.33Å; F182-H184 PolarHBondContact O-N 3.18Å; F182-F185 WeakPolarHBondContact O-CB 3.41Å; F182-F185 PolarHBondContact O-N 3.16Å; F182-L186 HydrophobicContact CD1-CD1 4.11Å; F182-L186 HydrophobicContact CE1-CD1 3.43Å; F182-L186 VanDerWaalsContact CE1-CD1 3.43Å; F182-L186 HydrophobicContact CE1-CG 4.2Å; F182-L186 HydrophobicContact CE2-CD1 4.33Å; F182-L186 HydrophobicContact CE2-CG 4.44Å; F182-L186 HydrophobicContact CZ-CD1 3.56Å; F182-L186 HydrophobicContact CZ-CD2 4.49Å; F182-L186 HydrophobicContact CZ-CG 4.14Å; F182-L186 WeakPolarHBondContact O-CG 3.32Å; F182-L186 PolarHBondContact O-N 2.98Å; F182-L233 HydrophobicContact CE1-CB 3.74Å; F182-L233 HydrophobicContact CZ-CB 4.01Å; F182-T237 HydrophobicContact CE2-CG2 3.93Å; F182-T237 HydrophobicContact CZ-CG2 4.17Å; F182-M247 HydrophobicContact CE2-SD 4.34Å; F182-M247 HydrophobicContact CZ-CE 4.19Å; F182-M247 HydrophobicContact CZ-SD 3.62Å; F182-Y490 HydrophobicContact CB-CE1 4.07Å; F182-L494 HydrophobicContact CB-CD1 4.44Å; F182-L494 HydrophobicContact CD2-CD1 3.94Å; F182-L494 HydrophobicContact CD2-CD2 4.16Å
183	D	98.9	Very high	98.5	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-64.6	-37.9	178.6	-95	-49.5	0	0	0	111.9	S179 Q180 L186 A187 R195 G197 G198 E199 N234	S179-D183 PolarHBondContact O-N 3.16Å; Q180-D183 PolarHBondContact O-N 3.32Å; D183-L186 PolarHBondContact O-N 2.99Å; D183-A187 WeakPolarHBondContact O-CB 3.42Å; D183-A187 PolarHBondContact O-N 2.9Å; D183-R195 VanDerWaalsContact OD1-CD 3.22Å; D183-R195 WeakPolarHBondContact OD1-CD 3.3Å; D183-R195 IonicContact OD1-NE 3.15Å; D183-R195 PolarHBondContact OD1-NE 3.39Å; D183-G197 VanDerWaalsContact OD1-CA 3.25Å; D183-G197 WeakPolarHBondContact OD1-CA 3.3Å; D183-G197 WeakPolarHBondContact OD2-CA 3.48Å; D183-G198 PolarHBondContact OD2-N 2.87Å; D183-E199 HydrophobicContact CB-CG 3.61Å; D183-E199 WeakPolarHBondContact CB-OE1 3.44Å; D183-N234 PolarHBondContact OD2-ND2 2.87Å
184	H	98.8	Very high	98.5	Very high	91 Å²	91	37.4 Å²	37.4	42%	0.421	20%	0.204	S	C	.	.	H	α-helix	trans	-61.5	-44	172.8	179	59.3	0	0	0	112.4	Q180 E181 F182 L186 A187 T188 Y491	Q180-H184 WeakPolarHBondContact O-CB 3.35Å; Q180-H184 PolarHBondContact O-N 3.48Å; E181-H184 PolarHBondContact O-N 3.43Å; E181-H184 IonicContact OE1-CD2 3.47Å; E181-H184 PolarHBondContact OE1-CD2 3.04Å; F182-H184 VanDerWaalsContact C-N 3.33Å; F182-H184 PolarHBondContact O-N 3.18Å; H184-L186 PolarHBondContact O-N 2.92Å; H184-A187 PolarHBondContact O-N 2.78Å; H184-T188 WeakPolarHBondContact O-CB 3.5Å; H184-T188 PolarHBondContact O-N 2.89Å; H184-T188 PolarHBondContact O-OG1 3.31Å; H184-Y491 AromaticContact CD2-CE2 3.79Å
185	F	98.8	Very high	98.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.3	-47.2	174.9	179.2	-88.3	0	0	0	111.1	E181 F182 T188 K189 F190 F248 Y491 L494 N495 L498	E181-F185 WeakPolarHBondContact O-CB 3.4Å; E181-F185 PolarHBondContact O-N 2.93Å; F182-F185 WeakPolarHBondContact O-CB 3.41Å; F182-F185 PolarHBondContact O-N 3.16Å; F185-T188 PolarHBondContact O-N 2.74Å; F185-K189 HydrophobicContact CD1-CG 4.26Å; F185-K189 HydrophobicContact CD2-CG 4.19Å; F185-K189 HydrophobicContact CE1-CB 4.27Å; F185-K189 HydrophobicContact CE1-CG 3.89Å; F185-K189 HydrophobicContact CE2-CG 3.82Å; F185-K189 HydrophobicContact CG-CG 4.4Å; F185-K189 HydrophobicContact CZ-CB 4.46Å; F185-K189 HydrophobicContact CZ-CG 3.68Å; F185-K189 WeakPolarHBondContact O-CB 3.48Å; F185-K189 WeakPolarHBondContact O-CG 3.41Å; F185-K189 PolarHBondContact O-N 3.14Å; F185-F190 HydrophobicContact CE1-CE2 4.44Å; F185-F248 HydrophobicContact CD1-CE1 4.32Å; F185-F248 HydrophobicContact CD1-CZ 4.22Å; F185-F248 AromaticContact CE1-CE1 3.79Å; F185-F248 HydrophobicContact CE1-CE1 3.79Å; F185-F248 HydrophobicContact CE1-CE2 4.27Å; F185-F248 AromaticContact CE1-CZ 3.5Å; F185-F248 HydrophobicContact CE1-CZ 3.5Å; F185-F248 HydrophobicContact CZ-CZ 4.25Å; F185-Y491 HydrophobicContact CB-CD2 3.98Å; F185-Y491 HydrophobicContact CB-CE2 3.92Å; F185-Y491 HydrophobicContact CD2-CD1 4.06Å; F185-Y491 AromaticContact CD2-CD2 3.86Å; F185-Y491 HydrophobicContact CD2-CD2 3.86Å; F185-Y491 AromaticContact CD2-CE1 3.84Å; F185-Y491 HydrophobicContact CD2-CE1 3.84Å; F185-Y491 AromaticContact CD2-CE2 3.7Å; F185-Y491 HydrophobicContact CD2-CE2 3.7Å; F185-Y491 HydrophobicContact CD2-CG 4.06Å; F185-Y491 AromaticContact CD2-CZ 3.67Å; F185-Y491 HydrophobicContact CE2-CE1 4.19Å; F185-Y491 HydrophobicContact CG-CD2 4.44Å; F185-Y491 HydrophobicContact CG-CE2 4.27Å; F185-L494 HydrophobicContact CB-CD1 3.79Å; F185-L494 HydrophobicContact CD1-CB 4.01Å; F185-L494 HydrophobicContact CD1-CD1 4.11Å; F185-L494 HydrophobicContact CD2-CB 3.75Å; F185-L494 HydrophobicContact CD2-CD1 4.32Å; F185-L494 HydrophobicContact CE1-CB 3.99Å; F185-L494 HydrophobicContact CE2-CB 3.72Å; F185-L494 HydrophobicContact CG-CB 3.9Å; F185-L494 HydrophobicContact CG-CD1 3.82Å; F185-L494 HydrophobicContact CZ-CB 3.83Å; F185-L494 WeakPolarHBondContact CZ-O 3.05Å; F185-N495 HydrophobicContact CE2-CB 3.93Å; F185-L498 HydrophobicContact CE1-CD2 4.33Å; F185-L498 HydrophobicContact CZ-CB 4Å; F185-L498 HydrophobicContact CZ-CD2 3.83Å
186	L	98.7	Very high	98.4	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-63.8	-42.8	178	-67	-173	0	0	0	112.4	F182 D183 H184 T188 F190 R195 L233 F248 M251	F182-L186 HydrophobicContact CD1-CD1 4.11Å; F182-L186 HydrophobicContact CE1-CD1 3.43Å; F182-L186 VanDerWaalsContact CE1-CD1 3.43Å; F182-L186 HydrophobicContact CE1-CG 4.2Å; F182-L186 HydrophobicContact CE2-CD1 4.33Å; F182-L186 HydrophobicContact CE2-CG 4.44Å; F182-L186 HydrophobicContact CZ-CD1 3.56Å; F182-L186 HydrophobicContact CZ-CD2 4.49Å; F182-L186 HydrophobicContact CZ-CG 4.14Å; F182-L186 WeakPolarHBondContact O-CG 3.32Å; F182-L186 PolarHBondContact O-N 2.98Å; D183-L186 PolarHBondContact O-N 2.99Å; H184-L186 PolarHBondContact O-N 2.92Å; L186-T188 PolarHBondContact O-N 3.45Å; L186-F190 HydrophobicContact CD2-CD2 3.88Å; L186-F190 HydrophobicContact CD2-CE2 4.31Å; L186-F190 CarbonylContact O-C 3.6Å; L186-F190 VanDerWaalsContact O-C 3.27Å; L186-F190 VanDerWaalsContact O-CA 3.27Å; L186-F190 WeakPolarHBondContact O-CA 3.45Å; L186-F190 WeakPolarHBondContact O-CB 3.29Å; L186-F190 PolarHBondContact O-N 2.82Å; L186-R195 HydrophobicContact CD1-CB 4.29Å; L186-L233 HydrophobicContact CD1-CD1 4.39Å; L186-F248 HydrophobicContact CD2-CD1 4.39Å; L186-F248 HydrophobicContact CD2-CE1 3.86Å; L186-M251 HydrophobicContact CD1-CE 3.55Å; L186-M251 HydrophobicContact CD2-CE 3.52Å; L186-M251 HydrophobicContact CD2-SD 3.67Å; L186-M251 HydrophobicContact CG-CE 4.14Å
187	A	98.5	Very high	98.4	Very high	36 Å²	36	35.5 Å²	35.5	30%	0.298	20%	0.195	S	C	.	.	H	α-helix	trans	-58.5	-37	175.1	0	0	0	0	0	111.9	D183 H184 A191	D183-A187 WeakPolarHBondContact O-CB 3.42Å; D183-A187 PolarHBondContact O-N 2.9Å; H184-A187 PolarHBondContact O-N 2.78Å; A187-A191 VanDerWaalsContact O-CA 3.29Å; A187-A191 WeakPolarHBondContact O-CA 3.17Å; A187-A191 WeakPolarHBondContact O-CB 3.45Å; A187-A191 PolarHBondContact O-N 2.93Å
188	T	98.4	Very high	98.4	Very high	74 Å²	74	35.5 Å²	35.5	45%	0.454	20%	0.195	S	C	.	.	H	α-helix	trans	-78.4	-46.8	-178.2	-54.8	0	0	0	0	112.4	H184 F185 L186 Y491	H184-T188 WeakPolarHBondContact O-CB 3.5Å; H184-T188 PolarHBondContact O-N 2.89Å; H184-T188 PolarHBondContact O-OG1 3.31Å; F185-T188 PolarHBondContact O-N 2.74Å; L186-T188 PolarHBondContact O-N 3.45Å; T188-Y491 WeakPolarHBondContact CG2-OH 3.31Å
189	K	98.3	Very high	98.3	Very high	74 Å²	74	35.3 Å²	35.3	32%	0.322	19%	0.194	S	C	.	.	H	α-helix	trans	-89	-23.1	-173.2	-60.1	-63.3	-172.4	170.4	0	113.6	F185 N495 L498	F185-K189 HydrophobicContact CD1-CG 4.26Å; F185-K189 HydrophobicContact CD2-CG 4.19Å; F185-K189 HydrophobicContact CE1-CB 4.27Å; F185-K189 HydrophobicContact CE1-CG 3.89Å; F185-K189 HydrophobicContact CE2-CG 3.82Å; F185-K189 HydrophobicContact CG-CG 4.4Å; F185-K189 HydrophobicContact CZ-CB 4.46Å; F185-K189 HydrophobicContact CZ-CG 3.68Å; F185-K189 WeakPolarHBondContact O-CB 3.48Å; F185-K189 WeakPolarHBondContact O-CG 3.41Å; F185-K189 PolarHBondContact O-N 3.14Å; K189-N495 WeakPolarHBondContact CE-OD1 3.44Å; K189-N495 PolarHBondContact NZ-OD1 3.27Å; K189-L498 HydrophobicContact CB-CD2 4.03Å; K189-L498 HydrophobicContact CD-CD2 4.05Å; K189-L498 HydrophobicContact CG-CD2 3.92Å
190	F	97.9	Very high	98.3	Very high	9 Å²	9	35 Å²	35	4%	0.039	19%	0.192	C	C	.	.			trans	-134.3	45.1	-174.7	-58.9	-83.5	0	0	0	111.6	F185 L186 T192 V193 F248 M251 R252 L498	F185-F190 HydrophobicContact CE1-CE2 4.44Å; L186-F190 HydrophobicContact CD2-CD2 3.88Å; L186-F190 HydrophobicContact CD2-CE2 4.31Å; L186-F190 CarbonylContact O-C 3.6Å; L186-F190 VanDerWaalsContact O-C 3.27Å; L186-F190 VanDerWaalsContact O-CA 3.27Å; L186-F190 WeakPolarHBondContact O-CA 3.45Å; L186-F190 WeakPolarHBondContact O-CB 3.29Å; L186-F190 PolarHBondContact O-N 2.82Å; F190-T192 PolarHBondContact O-N 3.45Å; F190-V193 HydrophobicContact CB-CB 4.11Å; F190-V193 HydrophobicContact CB-CG2 3.97Å; F190-V193 HydrophobicContact CD1-CG2 4.45Å; F190-V193 WeakPolarHBondContact O-CB 3.3Å; F190-V193 PolarHBondContact O-N 3Å; F190-F248 HydrophobicContact CE2-CB 4.5Å; F190-F248 AromaticContact CE2-CD1 3.55Å; F190-F248 HydrophobicContact CE2-CD1 3.55Å; F190-F248 HydrophobicContact CE2-CE1 4.02Å; F190-F248 HydrophobicContact CE2-CG 4.14Å; F190-F248 HydrophobicContact CZ-CB 3.9Å; F190-F248 AromaticContact CZ-CD1 3.83Å; F190-F248 HydrophobicContact CZ-CD1 3.83Å; F190-F248 HydrophobicContact CZ-CG 4.01Å; F190-M251 HydrophobicContact CB-SD 4.34Å; F190-M251 HydrophobicContact CD1-CB 3.76Å; F190-M251 HydrophobicContact CD1-SD 4.16Å; F190-M251 HydrophobicContact CD2-SD 3.76Å; F190-M251 HydrophobicContact CE1-CB 3.8Å; F190-M251 HydrophobicContact CE1-SD 4.38Å; F190-M251 HydrophobicContact CE2-SD 4.01Å; F190-M251 HydrophobicContact CG-CB 4.35Å; F190-M251 HydrophobicContact CG-SD 3.83Å; F190-M251 HydrophobicContact CZ-CB 4.43Å; F190-M251 HydrophobicContact CZ-SD 4.31Å; F190-R252 HydrophobicContact CE1-CG 4.16Å; F190-L498 HydrophobicContact CE2-CD1 4.14Å; F190-L498 HydrophobicContact CE2-CD2 4.44Å; F190-L498 HydrophobicContact CZ-CD1 3.62Å
191	A	96.8	Very high	98.3	Very high	63 Å²	63	34 Å²	34	52%	0.521	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-27.2	-174.3	0	0	0	0	0	115.3	A187 L444	A187-A191 VanDerWaalsContact O-CA 3.29Å; A187-A191 WeakPolarHBondContact O-CA 3.17Å; A187-A191 WeakPolarHBondContact O-CB 3.45Å; A187-A191 PolarHBondContact O-N 2.93Å; A191-L444 WeakPolarHBondContact O-CD2 3.33Å
192	T	97.3	Very high	98.3	Very high	121 Å²	121	33.1 Å²	33.1	74%	0.742	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	1.2	-179.3	58.7	0	0	0	0	114.2	F190	F190-T192 PolarHBondContact O-N 3.45Å
193	V	97.7	Very high	98.3	Very high	32 Å²	32	33.1 Å²	33.1	19%	0.194	18%	0.184	C	C	.	.	S	Bend	trans	-100.8	126.9	-176.7	-178.1	0	0	0	0	110.1	F190 R195 M251 L268	F190-V193 HydrophobicContact CB-CB 4.11Å; F190-V193 HydrophobicContact CB-CG2 3.97Å; F190-V193 HydrophobicContact CD1-CG2 4.45Å; F190-V193 WeakPolarHBondContact O-CB 3.3Å; F190-V193 PolarHBondContact O-N 3Å; V193-R195 PolarHBondContact O-N 2.85Å; V193-M251 HydrophobicContact CG1-CB 4.44Å; V193-M251 HydrophobicContact CG1-CG 4.15Å; V193-M251 HydrophobicContact CG2-CB 4.43Å; V193-L268 HydrophobicContact CG1-CD2 4.08Å
194	K	98.3	Very high	98.3	Very high	101 Å²	101	33.1 Å²	33.1	44%	0.439	18%	0.183	S	C	.	.			trans	-72.7	118.5	171.6	-58.6	179.9	180	-174	0	108.8	Y196 N442 L444	K194-Y196 HydrophobicContact CB-CE2 4.17Å; K194-N442 HydrophobicContact CB-CB 3.99Å; K194-N442 HydrophobicContact CD-CB 3.8Å; K194-N442 VanDerWaalsContact CE-OD1 3.27Å; K194-N442 WeakPolarHBondContact CE-OD1 3.24Å; K194-N442 HydrophobicContact CG-CB 3.8Å; K194-L444 HydrophobicContact CG-CD1 4.33Å
195	R	98.1	Very high	98.3	Very high	10 Å²	10	28.9 Å²	28.9	4%	0.038	16%	0.164	C	C	.	.			trans	-112.1	-25.5	-175.5	60.9	-179.9	-176	-80.1	-1.2	113.3	D183 L186 V193 E199 L233 E443	D183-R195 VanDerWaalsContact OD1-CD 3.22Å; D183-R195 WeakPolarHBondContact OD1-CD 3.3Å; D183-R195 IonicContact OD1-NE 3.15Å; D183-R195 PolarHBondContact OD1-NE 3.39Å; L186-R195 HydrophobicContact CD1-CB 4.29Å; V193-R195 PolarHBondContact O-N 2.85Å; R195-E199 IonicContact CZ-OE1 3.7Å; R195-E199 IonicContact NE-OE1 2.82Å; R195-E199 IonicContact NH2-OE1 3.89Å; R195-E199 PolarHBondContact NH2-OE1 3.31Å; R195-L233 HydrophobicContact CB-CD1 4.11Å; R195-E443 HydrophobicContact CG-CG 4.17Å; R195-E443 WeakPolarHBondContact CG-OE1 3.4Å; R195-E443 WeakPolarHBondContact CG-OE2 3.33Å; R195-E443 PolarHBondContact N-OE2 2.71Å
196	Y	98.4	Very high	98.3	Very high	48 Å²	48	29 Å²	29	19%	0.188	17%	0.165	C	C	.	.			trans	57.1	52.7	-174.6	-53.7	-86	0	0	0	112.5	K194 H229 G231 H441 N442 E443	K194-Y196 HydrophobicContact CB-CE2 4.17Å; Y196-H229 AromaticContact CD1-CD2 3.62Å; Y196-H229 HydrophobicContact CD2-CB 4.21Å; Y196-H229 HydrophobicContact CG-CB 4.12Å; Y196-H229 AromaticContact CG-CD2 3.69Å; Y196-G231 PolarHBondContact O-N 2.84Å; Y196-H441 WeakPolarHBondContact CD1-O 3.38Å; Y196-H441 AromaticContact CE1-NE2 3.74Å; Y196-N442 HydrophobicContact CD1-CB 4.36Å; Y196-N442 HydrophobicContact CE1-CB 3.79Å; Y196-E443 WeakPolarHBondContact CA-OE1 3.4Å; Y196-E443 PolarHBondContact N-OE1 3.16Å; Y196-E443 PolarHBondContact N-OE2 3.14Å
197	G	98	Very high	98.4	Very high	2 Å²	2	28.9 Å²	28.9	2%	0.021	16%	0.164	C	C	.	.			trans	-59.9	169.3	-171.9	0	0	0	0	0	114.9	D183 E199 R230 E443	D183-G197 VanDerWaalsContact OD1-CA 3.25Å; D183-G197 WeakPolarHBondContact OD1-CA 3.3Å; D183-G197 WeakPolarHBondContact OD2-CA 3.48Å; G197-E199 VanDerWaalsContact C-N 3.34Å; G197-R230 VanDerWaalsContact O-CD 3.24Å; G197-R230 WeakPolarHBondContact O-CD 3.3Å; G197-R230 PolarHBondContact O-NH1 3.09Å; G197-E443 PolarHBondContact N-OE1 3.2Å
198	G	98.4	Very high	98.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.			trans	-87.5	1.8	179.4	0	0	0	0	0	114.6	D183 G200 A201 E202	D183-G198 PolarHBondContact OD2-N 2.87Å; G198-G200 PolarHBondContact O-N 2.83Å; G198-A201 CarbonylContact O-C 3.25Å; G198-A201 WeakPolarHBondContact O-CA 3.29Å; G198-A201 PolarHBondContact O-N 3.23Å; G198-E202 PolarHBondContact O-N 3.47Å
199	E	98.8	Very high	98.4	Very high	26 Å²	26	27 Å²	27	12%	0.121	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	118.7	-174.2	-61.5	171.5	-105.9	0	0	112.8	D183 R195 G197 E202 Q438 W439	D183-E199 HydrophobicContact CB-CG 3.61Å; D183-E199 WeakPolarHBondContact CB-OE1 3.44Å; R195-E199 IonicContact CZ-OE1 3.7Å; R195-E199 IonicContact NE-OE1 2.82Å; R195-E199 IonicContact NH2-OE1 3.89Å; R195-E199 PolarHBondContact NH2-OE1 3.31Å; G197-E199 VanDerWaalsContact C-N 3.34Å; E199-E202 WeakPolarHBondContact CA-OE1 3.44Å; E199-Q438 HydrophobicContact CB-CB 3.51Å; E199-Q438 HydrophobicContact CB-CG 4.12Å; E199-Q438 VanDerWaalsContact O-CB 3.32Å; E199-Q438 WeakPolarHBondContact O-CB 3.29Å; E199-Q438 PolarHBondContact O-N 3.15Å; E199-W439 PolarHBondContact OE1-NE1 3.35Å; E199-W439 PolarHBondContact OE2-NE1 3.25Å
200	G	98.7	Very high	98.4	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.01	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	95	3	-171.2	0	0	0	0	0	114.8	G198 E202 C435 Y436	G198-G200 PolarHBondContact O-N 2.83Å; G200-E202 WeakPolarHBondContact CA-OE2 3.44Å; G200-E202 PolarHBondContact N-OE1 3.42Å; G200-E202 PolarHBondContact N-OE2 2.85Å; G200-C435 WeakPolarHBondContact O-CB 3.48Å; G200-Y436 CarbonylContact C-O 3.58Å; G200-Y436 VanDerWaalsContact CA-CE2 3.44Å; G200-Y436 VanDerWaalsContact CA-CZ 3.41Å; G200-Y436 WeakPolarHBondContact O-CD1 3.29Å; G200-Y436 PolarHBondContact O-N 2.97Å; G200-Y436 VanDerWaalsContact O-N 3.11Å; G200-Y436 VanDerWaalsContact O-O 3.12Å
201	A	98.8	Very high	98.5	Very high	2 Å²	2	23.3 Å²	23.3	2%	0.017	13%	0.126	C	C	.	.			trans	-142.1	19.5	-179.7	0	0	0	0	0	112.7	G198 S203 M204 V370 C435	G198-A201 CarbonylContact O-C 3.25Å; G198-A201 WeakPolarHBondContact O-CA 3.29Å; G198-A201 PolarHBondContact O-N 3.23Å; A201-S203 PolarHBondContact O-N 3.32Å; A201-S203 VanDerWaalsContact O-N 3.11Å; A201-M204 WeakPolarHBondContact O-CB 3.49Å; A201-M204 WeakPolarHBondContact O-CG 3.24Å; A201-M204 PolarHBondContact O-N 3.15Å; A201-V370 HydrophobicContact CB-CG1 3.94Å; A201-C435 HydrophobicContact CB-CB 3.97Å; A201-C435 VanDerWaalsContact CB-SG 3.57Å
202	E	98.9	Very high	98.6	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.009	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-24.9	-171.3	-66.9	90.2	153.6	0	0	113.5	M176 G198 E199 G200 M204 M205 P465	M176-E202 HydrophobicContact CB-CB 4.16Å; M176-E202 HydrophobicContact CG-CB 4.21Å; G198-E202 PolarHBondContact O-N 3.47Å; E199-E202 WeakPolarHBondContact CA-OE1 3.44Å; G200-E202 WeakPolarHBondContact CA-OE2 3.44Å; G200-E202 PolarHBondContact N-OE1 3.42Å; G200-E202 PolarHBondContact N-OE2 2.85Å; E202-M204 PolarHBondContact O-N 2.83Å; E202-M204 VanDerWaalsContact O-N 3.1Å; E202-M205 VanDerWaalsContact O-CB 3.31Å; E202-M205 WeakPolarHBondContact O-CB 3.27Å; E202-M205 WeakPolarHBondContact O-CG 3.32Å; E202-M205 PolarHBondContact O-N 3.46Å; E202-P465 HydrophobicContact CB-CG 3.76Å; E202-P465 HydrophobicContact CG-CG 3.67Å
203	S	98.9	Very high	98.6	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.007	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-17.6	174.5	54.6	0	0	0	0	113.6	A201 M205 G206 F207 G405	A201-S203 PolarHBondContact O-N 3.32Å; A201-S203 VanDerWaalsContact O-N 3.11Å; S203-M205 PolarHBondContact O-N 3.4Å; S203-G206 WeakPolarHBondContact O-CA 3.47Å; S203-G206 PolarHBondContact O-N 3.29Å; S203-F207 PolarHBondContact O-N 2.91Å; S203-G405 VanDerWaalsContact CB-O 3.28Å; S203-G405 WeakPolarHBondContact CB-O 3.4Å; S203-G405 PolarHBondContact OG-O 3.26Å
204	M	98.9	Very high	98.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-58.5	-26.6	168.8	76.2	-172.5	165.4	0	0	112.8	A201 E202 G206 F207 F208 L368 V370 L433	A201-M204 WeakPolarHBondContact O-CB 3.49Å; A201-M204 WeakPolarHBondContact O-CG 3.24Å; A201-M204 PolarHBondContact O-N 3.15Å; E202-M204 PolarHBondContact O-N 2.83Å; E202-M204 VanDerWaalsContact O-N 3.1Å; M204-G206 VanDerWaalsContact C-N 3.3Å; M204-F207 WeakPolarHBondContact O-CB 3.42Å; M204-F207 PolarHBondContact O-N 3.49Å; M204-F208 HydrophobicContact CB-CE2 4.1Å; M204-F208 HydrophobicContact CG-CD2 4.36Å; M204-F208 HydrophobicContact CG-CE2 3.86Å; M204-F208 WeakPolarHBondContact O-CD2 3.44Å; M204-F208 WeakPolarHBondContact O-CG 3.41Å; M204-F208 PolarHBondContact O-N 3.11Å; M204-F208 HydrophobicContact SD-CE2 4.27Å; M204-L368 HydrophobicContact CB-CD2 4.25Å; M204-V370 HydrophobicContact SD-CG2 4.48Å; M204-L433 HydrophobicContact CB-CD2 3.73Å
205	M	98.9	Very high	98.6	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.015	6%	0.057	C	C	.	.	H	α-helix	trans	-66.5	-35.6	175.6	-63.5	-57.9	-65	0	0	111.4	L175 E202 S203 F208 Y209 N234 L239	L175-M205 HydrophobicContact CB-CB 4.4Å; E202-M205 VanDerWaalsContact O-CB 3.31Å; E202-M205 WeakPolarHBondContact O-CB 3.27Å; E202-M205 WeakPolarHBondContact O-CG 3.32Å; E202-M205 PolarHBondContact O-N 3.46Å; S203-M205 PolarHBondContact O-N 3.4Å; M205-F208 PolarHBondContact O-N 3.34Å; M205-F208 HydrophobicContact SD-CD2 4.25Å; M205-Y209 WeakPolarHBondContact O-CB 3.37Å; M205-Y209 PolarHBondContact O-N 2.92Å; M205-N234 WeakPolarHBondContact CE-O 3.11Å; M205-N234 HydrophobicContact SD-CB 4.14Å; M205-L239 HydrophobicContact CE-CD1 3.9Å; M205-L239 HydrophobicContact CE-CG 3.85Å
206	G	98.8	Very high	98.6	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.01	6%	0.056	C	C	.	.	H	α-helix	trans	-63.4	-44.5	170	0	0	0	0	0	111.9	S203 M204 F208 Y209 E210 L412	S203-G206 WeakPolarHBondContact O-CA 3.47Å; S203-G206 PolarHBondContact O-N 3.29Å; M204-G206 VanDerWaalsContact C-N 3.3Å; G206-F208 PolarHBondContact O-N 3.49Å; G206-Y209 PolarHBondContact O-N 3.12Å; G206-E210 VanDerWaalsContact O-CB 3.29Å; G206-E210 WeakPolarHBondContact O-CB 3.16Å; G206-E210 PolarHBondContact O-N 3.22Å; G206-L412 WeakPolarHBondContact O-CD2 3.47Å
207	F	98.9	Very high	98.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-55.7	-50.2	173.1	165.5	-87.3	0	0	0	112	S203 M204 Y209 E210 L211 L334 I366 L368 V411 T415 L431	S203-F207 PolarHBondContact O-N 2.91Å; M204-F207 WeakPolarHBondContact O-CB 3.42Å; M204-F207 PolarHBondContact O-N 3.49Å; F207-Y209 PolarHBondContact O-N 2.83Å; F207-E210 PolarHBondContact O-N 2.8Å; F207-L211 HydrophobicContact CE1-CD1 3.96Å; F207-L211 HydrophobicContact CE2-CD1 4.18Å; F207-L211 HydrophobicContact CZ-CD1 3.52Å; F207-L211 VanDerWaalsContact O-CB 3.23Å; F207-L211 WeakPolarHBondContact O-CB 3.21Å; F207-L211 PolarHBondContact O-N 2.83Å; F207-L334 HydrophobicContact CE1-CD1 3.86Å; F207-L334 HydrophobicContact CE1-CD2 4.31Å; F207-L334 HydrophobicContact CZ-CD1 3.82Å; F207-I366 HydrophobicContact CE2-CG2 4.47Å; F207-I366 HydrophobicContact CZ-CG2 4.17Å; F207-L368 HydrophobicContact CD1-CB 4.4Å; F207-L368 HydrophobicContact CD1-CD1 4.28Å; F207-L368 HydrophobicContact CD1-CD2 3.62Å; F207-L368 HydrophobicContact CD1-CG 4.31Å; F207-L368 HydrophobicContact CD2-CD1 4.22Å; F207-L368 HydrophobicContact CE1-CB 3.8Å; F207-L368 HydrophobicContact CE1-CD1 4.42Å; F207-L368 HydrophobicContact CE1-CD2 3.79Å; F207-L368 HydrophobicContact CE1-CG 4.2Å; F207-L368 HydrophobicContact CE2-CB 4.45Å; F207-L368 HydrophobicContact CE2-CD1 4.37Å; F207-L368 HydrophobicContact CG-CD1 4.19Å; F207-L368 HydrophobicContact CG-CD2 4.25Å; F207-L368 HydrophobicContact CZ-CB 3.83Å; F207-L368 HydrophobicContact CZ-CD1 4.46Å; F207-L368 HydrophobicContact CZ-CG 4.49Å; F207-V411 HydrophobicContact CB-CG1 3.98Å; F207-T415 WeakPolarHBondContact CA-OG1 3.49Å; F207-T415 HydrophobicContact CD2-CG2 3.78Å; F207-T415 WeakPolarHBondContact CD2-OG1 3.38Å; F207-T415 HydrophobicContact CE2-CG2 4.09Å; F207-T415 HydrophobicContact CG-CG2 4.44Å; F207-T415 WeakPolarHBondContact O-CG2 3.49Å; F207-L431 HydrophobicContact CD2-CD1 3.67Å; F207-L431 HydrophobicContact CE2-CD1 3.81Å
208	F	98.9	Very high	98.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.8	-44.9	-177.6	-66.9	-54	0	0	0	111.9	M204 M205 G206 L211 F212 M227 L235 L239 L334 V336 L368	M204-F208 HydrophobicContact CB-CE2 4.1Å; M204-F208 HydrophobicContact CG-CD2 4.36Å; M204-F208 HydrophobicContact CG-CE2 3.86Å; M204-F208 WeakPolarHBondContact O-CD2 3.44Å; M204-F208 WeakPolarHBondContact O-CG 3.41Å; M204-F208 PolarHBondContact O-N 3.11Å; M204-F208 HydrophobicContact SD-CE2 4.27Å; M205-F208 PolarHBondContact O-N 3.34Å; M205-F208 HydrophobicContact SD-CD2 4.25Å; G206-F208 PolarHBondContact O-N 3.49Å; F208-L211 PolarHBondContact O-N 3.09Å; F208-F212 HydrophobicContact CB-CE2 4.28Å; F208-F212 HydrophobicContact CB-CZ 4.49Å; F208-F212 WeakPolarHBondContact O-CD2 3.06Å; F208-F212 WeakPolarHBondContact O-CG 3.3Å; F208-F212 PolarHBondContact O-N 2.94Å; F208-M227 HydrophobicContact CE2-CE 4.35Å; F208-M227 HydrophobicContact CZ-CE 4.05Å; F208-M227 HydrophobicContact CZ-SD 4.39Å; F208-L235 HydrophobicContact CB-CD1 3.86Å; F208-L235 HydrophobicContact CD1-CD1 4.36Å; F208-L235 HydrophobicContact CD1-CD2 4.03Å; F208-L235 HydrophobicContact CD2-CB 4.38Å; F208-L235 HydrophobicContact CD2-CD1 3.71Å; F208-L235 HydrophobicContact CD2-CD2 4.03Å; F208-L235 HydrophobicContact CD2-CG 4.26Å; F208-L235 HydrophobicContact CE1-CD2 3.92Å; F208-L235 HydrophobicContact CE2-CB 4.31Å; F208-L235 HydrophobicContact CE2-CD1 4.36Å; F208-L235 HydrophobicContact CE2-CD2 3.92Å; F208-L235 HydrophobicContact CE2-CG 4.42Å; F208-L235 HydrophobicContact CG-CD1 3.73Å; F208-L235 HydrophobicContact CG-CD2 4.1Å; F208-L235 HydrophobicContact CZ-CD2 3.87Å; F208-L239 HydrophobicContact CB-CD1 3.62Å; F208-L334 HydrophobicContact CD1-CD2 3.97Å; F208-L334 HydrophobicContact CE1-CD2 4Å; F208-V336 HydrophobicContact CE1-CG2 3.77Å; F208-V336 HydrophobicContact CZ-CG2 4Å; F208-L368 HydrophobicContact CE1-CD2 3.95Å; F208-L368 HydrophobicContact CE2-CD2 4.44Å; F208-L368 HydrophobicContact CZ-CD2 3.71Å
209	Y	98.8	Very high	98.2	Very high	70 Å²	70	18.1 Å²	18.1	28%	0.275	9%	0.094	S	C	.	.	H	α-helix	trans	-60.5	-50.6	177.8	176.5	-94.2	0	0	0	111.7	H171 L175 M205 G206 F207 L211 F212 H213 L239 M279	H171-Y209 AromaticContact CD2-CE1 3.65Å; H171-Y209 AromaticContact CD2-CE2 3.84Å; H171-Y209 AromaticContact CD2-CZ 3.5Å; H171-Y209 AromaticContact NE2-CD2 3.59Å; H171-Y209 AromaticContact NE2-CE1 3.92Å; H171-Y209 AromaticContact NE2-CE2 3.2Å; H171-Y209 WeakPolarHBondContact NE2-CE2 3.37Å; H171-Y209 AromaticContact NE2-CZ 3.37Å; L175-Y209 HydrophobicContact CD1-CD1 4.42Å; L175-Y209 HydrophobicContact CD1-CD2 4.17Å; L175-Y209 HydrophobicContact CD1-CG 3.84Å; M205-Y209 WeakPolarHBondContact O-CB 3.37Å; M205-Y209 PolarHBondContact O-N 2.92Å; G206-Y209 PolarHBondContact O-N 3.12Å; F207-Y209 PolarHBondContact O-N 2.83Å; Y209-L211 VanDerWaalsContact C-N 3.34Å; Y209-L211 PolarHBondContact O-N 3.16Å; Y209-F212 PolarHBondContact O-N 2.83Å; Y209-H213 WeakPolarHBondContact O-CB 3.44Å; Y209-H213 PolarHBondContact O-N 3.03Å; Y209-L239 HydrophobicContact CD2-CD2 4.17Å; Y209-M279 HydrophobicContact CD2-CE 4.13Å; Y209-M279 HydrophobicContact CE2-CE 3.84Å
210	E	98.8	Very high	98.2	Very high	6 Å²	6	16.9 Å²	16.9	3%	0.028	9%	0.088	C	C	.	.	H	α-helix	trans	-65	-38.5	-178.4	-173.1	63.9	-160.4	0	0	111.5	G206 F207 F212 H213 Q214 L412 T415 R416	G206-E210 VanDerWaalsContact O-CB 3.29Å; G206-E210 WeakPolarHBondContact O-CB 3.16Å; G206-E210 PolarHBondContact O-N 3.22Å; F207-E210 PolarHBondContact O-N 2.8Å; E210-F212 PolarHBondContact O-N 2.94Å; E210-H213 PolarHBondContact O-N 3.05Å; E210-Q214 HydrophobicContact CG-CG 4.21Å; E210-Q214 WeakPolarHBondContact O-CB 3.4Å; E210-Q214 VanDerWaalsContact O-CG 3.26Å; E210-Q214 WeakPolarHBondContact O-CG 3.46Å; E210-Q214 PolarHBondContact O-N 2.94Å; E210-Q214 WeakPolarHBondContact OE1-CG 3.28Å; E210-Q214 PolarHBondContact OE1-NE2 3.23Å; E210-L412 HydrophobicContact CB-CD2 3.88Å; E210-L412 HydrophobicContact CG-CD2 4.36Å; E210-T415 HydrophobicContact CB-CG2 3.92Å; E210-T415 HydrophobicContact CG-CG2 4Å; E210-R416 HydrophobicContact CG-CG 4.14Å; E210-R416 WeakPolarHBondContact OE1-CG 3.5Å; E210-R416 IonicContact OE1-CZ 2.86Å; E210-R416 IonicContact OE1-NE 3.46Å; E210-R416 PolarHBondContact OE1-NE 3.27Å; E210-R416 IonicContact OE1-NH2 3.25Å; E210-R416 PolarHBondContact OE1-NH2 2.88Å; E210-R416 IonicContact OE2-NH2 2.79Å
211	L	98.9	Very high	98.1	Very high	1 Å²	1	18 Å²	18	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-60.8	-45.8	174.4	-177.6	149.2	0	0	0	111.1	F207 F208 Y209 S215 V223 L334 I366 T415 V419	F207-L211 HydrophobicContact CE1-CD1 3.96Å; F207-L211 HydrophobicContact CE2-CD1 4.18Å; F207-L211 HydrophobicContact CZ-CD1 3.52Å; F207-L211 VanDerWaalsContact O-CB 3.23Å; F207-L211 WeakPolarHBondContact O-CB 3.21Å; F207-L211 PolarHBondContact O-N 2.83Å; F208-L211 PolarHBondContact O-N 3.09Å; Y209-L211 VanDerWaalsContact C-N 3.34Å; Y209-L211 PolarHBondContact O-N 3.16Å; L211-S215 WeakPolarHBondContact O-CB 3.47Å; L211-S215 PolarHBondContact O-N 2.91Å; L211-S215 PolarHBondContact O-OG 2.79Å; L211-V223 HydrophobicContact CD2-CG1 4.33Å; L211-L334 HydrophobicContact CD1-CD1 3.97Å; L211-L334 HydrophobicContact CD1-CD2 4.25Å; L211-L334 HydrophobicContact CD2-CD2 4.31Å; L211-I366 HydrophobicContact CD1-CB 4.31Å; L211-I366 HydrophobicContact CD1-CD1 4.01Å; L211-I366 HydrophobicContact CD1-CG2 3.88Å; L211-T415 HydrophobicContact CB-CG2 3.91Å; L211-V419 HydrophobicContact CG-CG2 4.27Å
212	F	98.8	Very high	98.1	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.009	9%	0.094	C	C	.	.	H	α-helix	trans	-64.8	-41.4	177.1	-61.1	-27.7	0	0	0	111.7	F208 Y209 E210 S215 A216 V223 I225 L235 L239 L240 L277 M279 L285 V287	F208-F212 HydrophobicContact CB-CE2 4.28Å; F208-F212 HydrophobicContact CB-CZ 4.49Å; F208-F212 WeakPolarHBondContact O-CD2 3.06Å; F208-F212 WeakPolarHBondContact O-CG 3.3Å; F208-F212 PolarHBondContact O-N 2.94Å; Y209-F212 PolarHBondContact O-N 2.83Å; E210-F212 PolarHBondContact O-N 2.94Å; F212-S215 PolarHBondContact O-N 3.41Å; F212-A216 WeakPolarHBondContact O-CB 3.36Å; F212-A216 PolarHBondContact O-N 3.26Å; F212-V223 HydrophobicContact CE1-CG1 4.24Å; F212-I225 HydrophobicContact CE1-CD1 4.02Å; F212-I225 HydrophobicContact CZ-CD1 3.83Å; F212-L235 HydrophobicContact CE2-CD1 4.38Å; F212-L239 HydrophobicContact CE2-CB 4.35Å; F212-L239 HydrophobicContact CE2-CD1 4.32Å; F212-L240 HydrophobicContact CE2-CD2 3.93Å; F212-L240 HydrophobicContact CZ-CD2 4.02Å; F212-L277 HydrophobicContact CD2-CD1 3.84Å; F212-L277 HydrophobicContact CE2-CD1 4.21Å; F212-L277 HydrophobicContact CG-CD1 4.33Å; F212-M279 HydrophobicContact CB-CE 4Å; F212-M279 HydrophobicContact CB-SD 4.29Å; F212-L285 HydrophobicContact CB-CD2 3.87Å; F212-L285 HydrophobicContact CD1-CD2 4.24Å; F212-L285 HydrophobicContact CG-CD2 4.32Å; F212-L285 WeakPolarHBondContact O-CD2 3.46Å; F212-V287 HydrophobicContact CD1-CG2 4.2Å; F212-V287 HydrophobicContact CE1-CG1 3.92Å; F212-V287 HydrophobicContact CE1-CG2 4.21Å; F212-V287 HydrophobicContact CZ-CG1 3.91Å
213	H	98.2	Very high	98.1	Very high	51 Å²	51	17.8 Å²	17.8	24%	0.236	9%	0.093	C	C	.	.	H	α-helix	trans	-62.2	-55.8	178.7	-177.7	-93.7	0	0	0	110.8	Y209 E210 S215 A216 H217 M279	Y209-H213 WeakPolarHBondContact O-CB 3.44Å; Y209-H213 PolarHBondContact O-N 3.03Å; E210-H213 PolarHBondContact O-N 3.05Å; H213-S215 VanDerWaalsContact C-N 3.29Å; H213-S215 PolarHBondContact O-N 2.7Å; H213-A216 PolarHBondContact O-N 3.14Å; H213-H217 AromaticContact CD2-CD2 3.79Å; H213-H217 AromaticContact CD2-NE2 3.87Å; H213-H217 AromaticContact CE1-CD2 3.6Å; H213-H217 AromaticContact CE1-NE2 3.85Å; H213-H217 AromaticContact ND1-CD2 3.9Å; H213-H217 AromaticContact NE2-CD2 3.53Å; H213-H217 AromaticContact NE2-NE2 3.39Å; H213-H217 PolarHBondContact NE2-NE2 2.95Å; H213-H217 PolarHBondContact O-CD2 3.32Å; H213-H217 VanDerWaalsContact O-CD2 3.25Å; H213-H217 PolarHBondContact O-N 3.24Å; H213-M279 HydrophobicContact CB-CE 3.8Å
214	Q	98	Very high	98.1	Very high	42 Å²	42	17.8 Å²	17.8	20%	0.196	9%	0.093	C	C	.	.	H	α-helix	trans	-60.7	-37.9	178.1	-65.7	-61.7	-25.6	0	0	112.2	E210 S218 R416 V419	E210-Q214 HydrophobicContact CG-CG 4.21Å; E210-Q214 WeakPolarHBondContact O-CB 3.4Å; E210-Q214 VanDerWaalsContact O-CG 3.26Å; E210-Q214 WeakPolarHBondContact O-CG 3.46Å; E210-Q214 PolarHBondContact O-N 2.94Å; E210-Q214 WeakPolarHBondContact OE1-CG 3.28Å; E210-Q214 PolarHBondContact OE1-NE2 3.23Å; Q214-S218 WeakPolarHBondContact O-CB 3.48Å; Q214-S218 PolarHBondContact O-N 3.39Å; Q214-S218 PolarHBondContact O-OG 2.92Å; Q214-R416 HydrophobicContact CG-CG 4.34Å; Q214-V419 HydrophobicContact CB-CB 4.25Å; Q214-V419 HydrophobicContact CB-CG1 3.84Å; Q214-V419 HydrophobicContact CB-CG2 4.26Å
215	S	97.9	Very high	98.1	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.007	9%	0.093	C	C	.	.	H	α-helix	trans	-61.7	-51.7	175.8	-64.6	0	0	0	0	111.4	L211 F212 H213 H217 S218 G219 V220 I332	L211-S215 WeakPolarHBondContact O-CB 3.47Å; L211-S215 PolarHBondContact O-N 2.91Å; L211-S215 PolarHBondContact O-OG 2.79Å; F212-S215 PolarHBondContact O-N 3.41Å; H213-S215 VanDerWaalsContact C-N 3.29Å; H213-S215 PolarHBondContact O-N 2.7Å; S215-H217 VanDerWaalsContact C-N 3.34Å; S215-H217 PolarHBondContact O-N 2.69Å; S215-S218 PolarHBondContact O-N 3.41Å; S215-S218 PolarHBondContact O-OG 3.03Å; S215-G219 PolarHBondContact O-N 3.25Å; S215-V220 WeakPolarHBondContact O-CB 3.32Å; S215-V220 WeakPolarHBondContact O-CG2 3.32Å; S215-V220 PolarHBondContact O-N 3.33Å; S215-I332 WeakPolarHBondContact OG-CD1 3.46Å
216	A	97.6	Very high	98.1	Very high	2 Å²	2	17.6 Å²	17.6	2%	0.017	9%	0.092	C	C	.	.	H	α-helix	trans	-60.4	-43.6	-179.8	0	0	0	0	0	112	F212 H213 S218 M279 A281 L285	F212-A216 WeakPolarHBondContact O-CB 3.36Å; F212-A216 PolarHBondContact O-N 3.26Å; H213-A216 PolarHBondContact O-N 3.14Å; A216-S218 VanDerWaalsContact C-N 3.34Å; A216-S218 PolarHBondContact O-N 3.43Å; A216-M279 HydrophobicContact CB-CB 3.65Å; A216-M279 HydrophobicContact CB-CG 3.89Å; A216-A281 HydrophobicContact CB-CB 3.91Å; A216-L285 HydrophobicContact CB-CB 4.29Å; A216-L285 HydrophobicContact CB-CD2 4.47Å
217	H	96.9	Very high	98.1	Very high	96 Å²	96	17.6 Å²	17.6	44%	0.444	9%	0.092	S	C	.	.	H	α-helix	trans	-70.7	-26	178.8	-80.9	-80.8	0	0	0	113.8	H213 S215 M279	H213-H217 AromaticContact CD2-CD2 3.79Å; H213-H217 AromaticContact CD2-NE2 3.87Å; H213-H217 AromaticContact CE1-CD2 3.6Å; H213-H217 AromaticContact CE1-NE2 3.85Å; H213-H217 AromaticContact ND1-CD2 3.9Å; H213-H217 AromaticContact NE2-CD2 3.53Å; H213-H217 AromaticContact NE2-NE2 3.39Å; H213-H217 PolarHBondContact NE2-NE2 2.95Å; H213-H217 PolarHBondContact O-CD2 3.32Å; H213-H217 VanDerWaalsContact O-CD2 3.25Å; H213-H217 PolarHBondContact O-N 3.24Å; S215-H217 VanDerWaalsContact C-N 3.34Å; S215-H217 PolarHBondContact O-N 2.69Å; H217-M279 PolarHBondContact NE2-O 3.09Å
218	S	95.5	Very high	98.1	Very high	59 Å²	59	18 Å²	18	41%	0.413	10%	0.095	S	C	.	.	H	α-helix	trans	-86.5	-12.9	-177.9	61.5	0	0	0	0	115.1	Q214 S215 A216	Q214-S218 WeakPolarHBondContact O-CB 3.48Å; Q214-S218 PolarHBondContact O-N 3.39Å; Q214-S218 PolarHBondContact O-OG 2.92Å; S215-S218 PolarHBondContact O-N 3.41Å; S215-S218 PolarHBondContact O-OG 3.03Å; A216-S218 VanDerWaalsContact C-N 3.34Å; A216-S218 PolarHBondContact O-N 3.43Å
219	G	94.6	Very high	98.1	Very high	14 Å²	14	19.9 Å²	19.9	14%	0.144	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	138.5	-28.3	-171.1	0	0	0	0	0	116	S215 R283	S215-G219 PolarHBondContact O-N 3.25Å; G219-R283 PolarHBondContact O-NH1 3.11Å; G219-R283 PolarHBondContact O-NH2 3.2Å; G219-R283 VanDerWaalsContact O-NH2 3.08Å
220	V	98	Very high	98.1	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.006	9%	0.094	C	C	.	.			trans	-74.2	135.4	-162.4	-178.1	0	0	0	0	110	S215 D222 V223 L285 Q330 I332 R423	S215-V220 WeakPolarHBondContact O-CB 3.32Å; S215-V220 WeakPolarHBondContact O-CG2 3.32Å; S215-V220 PolarHBondContact O-N 3.33Å; V220-D222 WeakPolarHBondContact CG1-O 3.47Å; V220-V223 HydrophobicContact CG1-CG2 4.1Å; V220-L285 HydrophobicContact CB-CD1 4.24Å; V220-L285 HydrophobicContact CG1-CD1 3.94Å; V220-L285 VanDerWaalsContact O-CD1 3.27Å; V220-L285 WeakPolarHBondContact O-CD1 3.22Å; V220-Q330 CarbonylContact C-O 3.35Å; V220-Q330 WeakPolarHBondContact CA-O 3.47Å; V220-Q330 WeakPolarHBondContact CG1-O 3.5Å; V220-I332 HydrophobicContact CG1-CD1 4.29Å; V220-I332 HydrophobicContact CG1-CG1 3.98Å; V220-I332 HydrophobicContact CG1-CG2 4.32Å; V220-I332 HydrophobicContact CG2-CD1 4.5Å; V220-I332 HydrophobicContact CG2-CG2 4.07Å; V220-R423 VanDerWaalsContact CG2-NH1 3.29Å
221	T	97.8	Very high	98.1	Very high	23 Å²	23	17.1 Å²	17.1	14%	0.141	9%	0.092	C	C	.	.			trans	-109.3	-23.5	176.9	60.6	0	0	0	0	112.4	H286 Q330	T221-H286 WeakPolarHBondContact O-CB 3.36Å; T221-H286 PolarHBondContact O-N 3.5Å; T221-Q330 HydrophobicContact CG2-CB 4.49Å; T221-Q330 PolarHBondContact N-O 3.1Å; T221-Q330 PolarHBondContact OG1-O 2.85Å
222	D	98.6	Very high	98.1	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	129.9	-176.9	-54.9	-122.6	0	0	0	111.3	V220 H286 R314 Q330 V331 I332	V220-D222 WeakPolarHBondContact CG1-O 3.47Å; D222-H286 CarbonylContact C-O 3.58Å; D222-H286 VanDerWaalsContact CA-O 3.25Å; D222-H286 WeakPolarHBondContact CA-O 3.39Å; D222-H286 IonicContact OD1-ND1 2.8Å; D222-R314 IonicContact OD1-CZ 2.75Å; D222-R314 IonicContact OD1-NE 3.55Å; D222-R314 IonicContact OD1-NH2 3.77Å; D222-R314 PolarHBondContact OD1-NH2 3.27Å; D222-R314 IonicContact OD2-CZ 3.45Å; D222-R314 IonicContact OD2-NE 3.48Å; D222-R314 PolarHBondContact OD2-NE 2.96Å; D222-R314 IonicContact OD2-NH2 2.65Å; D222-R314 PolarHBondContact OD2-NH2 3.35Å; D222-R314 VanDerWaalsContact OD2-NH2 3.15Å; D222-Q330 PolarHBondContact N-O 3.29Å; D222-Q330 VanDerWaalsContact N-O 3.07Å; D222-V331 HydrophobicContact CB-CB 4.17Å; D222-V331 HydrophobicContact CB-CG1 3.88Å; D222-V331 HydrophobicContact CB-CG2 3.82Å; D222-V331 WeakPolarHBondContact O-CA 3.22Å; D222-I332 PolarHBondContact O-N 2.99Å
223	V	98.9	Very high	98.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	120.5	170	-176.7	0	0	0	0	109.3	L211 F212 V220 I225 L285 H286 V287 T288 I332 L334	L211-V223 HydrophobicContact CD2-CG1 4.33Å; F212-V223 HydrophobicContact CE1-CG1 4.24Å; V220-V223 HydrophobicContact CG1-CG2 4.1Å; V223-I225 HydrophobicContact CG1-CG1 4.09Å; V223-L285 HydrophobicContact CG2-CD1 4.06Å; V223-L285 HydrophobicContact CG2-CD2 4.01Å; V223-L285 HydrophobicContact CG2-CG 4.27Å; V223-H286 PolarHBondContact N-O 2.97Å; V223-V287 HydrophobicContact CB-CG1 4.48Å; V223-V287 HydrophobicContact CB-CG2 4.33Å; V223-V287 WeakPolarHBondContact O-CA 3.41Å; V223-T288 PolarHBondContact O-N 3.4Å; V223-I332 HydrophobicContact CB-CG1 4.39Å; V223-I332 HydrophobicContact CG1-CG1 4.26Å; V223-I332 HydrophobicContact CG2-CD1 4.09Å; V223-I332 HydrophobicContact CG2-CG1 3.88Å; V223-L334 HydrophobicContact CG1-CB 4.21Å
224	V	98.9	Very high	98.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	126.2	175.2	-176.8	0	0	0	0	109.4	T288 L290 A303 K306 T307 R310 V331 I332 C333 L334	V224-T288 WeakPolarHBondContact CA-O 3.41Å; V224-T288 HydrophobicContact CB-CG2 4.38Å; V224-T288 HydrophobicContact CG1-CG2 4.4Å; V224-T288 HydrophobicContact CG2-CG2 3.98Å; V224-L290 HydrophobicContact CG1-CD1 4.47Å; V224-L290 HydrophobicContact CG1-CG 4.49Å; V224-A303 HydrophobicContact CG1-CB 4.45Å; V224-K306 HydrophobicContact CG1-CB 4.19Å; V224-K306 HydrophobicContact CG1-CD 4.24Å; V224-K306 HydrophobicContact CG1-CG 4.14Å; V224-K306 HydrophobicContact CG2-CG 4.49Å; V224-T307 VanDerWaalsContact CB-OG1 3.31Å; V224-T307 WeakPolarHBondContact CB-OG1 3.06Å; V224-R310 HydrophobicContact CG2-CG 4.37Å; V224-V331 HydrophobicContact CG2-CG1 4.43Å; V224-I332 PolarHBondContact N-O 2.81Å; V224-C333 WeakPolarHBondContact O-CA 2.94Å; V224-L334 PolarHBondContact O-N 3.1Å
225	I	98.9	Very high	98.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.5	-174.1	-49.1	179.7	0	0	0	110.9	F212 V223 M227 V287 T288 M289 L290 L334	F212-I225 HydrophobicContact CE1-CD1 4.02Å; F212-I225 HydrophobicContact CZ-CD1 3.83Å; V223-I225 HydrophobicContact CG1-CG1 4.09Å; I225-M227 HydrophobicContact CG2-CB 4.09Å; I225-V287 HydrophobicContact CD1-CG1 3.55Å; I225-V287 HydrophobicContact CG1-CG1 4.2Å; I225-T288 PolarHBondContact N-O 3.4Å; I225-M289 HydrophobicContact CB-CB 4.34Å; I225-M289 HydrophobicContact CB-CG 4.45Å; I225-M289 HydrophobicContact CG2-CE 4.42Å; I225-L290 PolarHBondContact O-N 3.48Å; I225-L334 WeakPolarHBondContact CA-O 3.2Å; I225-L334 HydrophobicContact CD1-CD2 4.18Å; I225-L334 HydrophobicContact CG1-CB 4.28Å; I225-L334 HydrophobicContact CG1-CD2 4.14Å; I225-L334 HydrophobicContact CG2-CD2 4.24Å; I225-L334 HydrophobicContact CG2-CG 4.3Å
226	G	98.9	Very high	98.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	124.8	159.7	0	0	0	0	0	109.6	L334 V336	G226-L334 PolarHBondContact N-O 3.2Å; G226-V336 PolarHBondContact O-N 2.68Å
227	M	98.8	Very high	98.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.076	C	C	.	.			trans	-147.1	142.8	-173.9	179.9	174.8	-171.2	0	0	111.8	F208 I225 R230 R232 L235 M289 N292 V336	F208-M227 HydrophobicContact CE2-CE 4.35Å; F208-M227 HydrophobicContact CZ-CE 4.05Å; F208-M227 HydrophobicContact CZ-SD 4.39Å; I225-M227 HydrophobicContact CG2-CB 4.09Å; M227-R230 WeakPolarHBondContact CE-O 3.18Å; M227-R232 HydrophobicContact CE-CB 4.23Å; M227-R232 PolarHBondContact O-NH1 2.92Å; M227-R232 HydrophobicContact SD-CB 4.36Å; M227-R232 HydrophobicContact SD-CG 4.3Å; M227-L235 HydrophobicContact CE-CD2 4.4Å; M227-L235 HydrophobicContact SD-CD2 3.63Å; M227-M289 HydrophobicContact CB-CE 4.38Å; M227-M289 HydrophobicContact SD-CE 3.66Å; M227-N292 PolarHBondContact O-OD1 2.93Å; M227-V336 HydrophobicContact CB-CB 4.01Å; M227-V336 HydrophobicContact CB-CG2 4.21Å; M227-V336 HydrophobicContact CE-CG1 4.33Å; M227-V336 HydrophobicContact CG-CB 3.81Å; M227-V336 HydrophobicContact CG-CG1 4.06Å; M227-V336 HydrophobicContact CG-CG2 4.15Å; M227-V336 HydrophobicContact SD-CG2 4.41Å
228	P	98.7	Very high	98.3	Very high	10 Å²	10	10.3 Å²	10.3	7%	0.065	7%	0.069	C	C	.	.			trans	-81.8	-153.1	175.1	35.9	-40.3	0	0	0	111.2	L296 V336	P228-L296 HydrophobicContact CB-CD2 4.04Å; P228-V336 WeakPolarHBondContact CD-O 3.34Å
229	H	98.7	Very high	98.5	Very high	39 Å²	39	8.6 Å²	8.6	18%	0.181	6%	0.055	C	C	.	.	S	Bend	trans	-80.5	-34.3	-175.9	53.6	-93.4	0	0	0	114.4	Y196 G231 R232 H441	Y196-H229 AromaticContact CD1-CD2 3.62Å; Y196-H229 HydrophobicContact CD2-CB 4.21Å; Y196-H229 HydrophobicContact CG-CB 4.12Å; Y196-H229 AromaticContact CG-CD2 3.69Å; H229-G231 PolarHBondContact O-N 3.11Å; H229-R232 WeakPolarHBondContact O-CB 3.22Å; H229-R232 PolarHBondContact O-N 2.74Å; H229-H441 AromaticContact NE2-CE1 3.75Å
230	R	98.7	Very high	98.6	Very high	18 Å²	18	8 Å²	8	7%	0.068	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	115.6	-169	-179.9	58.8	59.1	-157.3	-8.7	111.2	G197 M227 R232 V370 H441	G197-R230 VanDerWaalsContact O-CD 3.24Å; G197-R230 WeakPolarHBondContact O-CD 3.3Å; G197-R230 PolarHBondContact O-NH1 3.09Å; M227-R230 WeakPolarHBondContact CE-O 3.18Å; R230-R232 PolarHBondContact O-N 3.21Å; R230-R232 VanDerWaalsContact O-N 3.13Å; R230-V370 HydrophobicContact CG-CB 4.4Å; R230-V370 HydrophobicContact CG-CG1 3.83Å; R230-H441 PolarHBondContact NH2-O 3.31Å
231	G	98.6	Very high	98.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	8.7	176.9	0	0	0	0	0	115.1	Y196 H229 L233 N234 L235	Y196-G231 PolarHBondContact O-N 2.84Å; H229-G231 PolarHBondContact O-N 3.11Å; G231-L233 VanDerWaalsContact C-N 3.32Å; G231-L233 PolarHBondContact O-N 3.32Å; G231-N234 WeakPolarHBondContact CA-OD1 3.16Å; G231-N234 WeakPolarHBondContact O-CB 3.38Å; G231-N234 PolarHBondContact O-N 3.24Å; G231-L235 PolarHBondContact O-N 2.85Å; G231-L235 VanDerWaalsContact O-N 3.15Å
232	R	98.8	Very high	98.6	Very high	1 Å²	1	13.8 Å²	13.8	0%	0.004	7%	0.072	C	C	.	.	H	α-helix	trans	-61.9	-41.9	-174.8	-173.7	-168.5	-178.4	94.6	-7.9	111.8	M227 H229 R230 N234 L235 L236 S269 H270 L271 M289 L290 N292	M227-R232 HydrophobicContact CE-CB 4.23Å; M227-R232 PolarHBondContact O-NH1 2.92Å; M227-R232 HydrophobicContact SD-CB 4.36Å; M227-R232 HydrophobicContact SD-CG 4.3Å; H229-R232 WeakPolarHBondContact O-CB 3.22Å; H229-R232 PolarHBondContact O-N 2.74Å; R230-R232 PolarHBondContact O-N 3.21Å; R230-R232 VanDerWaalsContact O-N 3.13Å; R232-N234 VanDerWaalsContact C-N 3.32Å; R232-N234 PolarHBondContact O-N 3.42Å; R232-L235 PolarHBondContact O-N 3.15Å; R232-L236 HydrophobicContact CG-CD1 4.05Å; R232-L236 HydrophobicContact CG-CG 4.42Å; R232-L236 WeakPolarHBondContact O-CB 3.38Å; R232-L236 VanDerWaalsContact O-CG 3.3Å; R232-L236 WeakPolarHBondContact O-CG 3.32Å; R232-L236 PolarHBondContact O-N 3.48Å; R232-S269 WeakPolarHBondContact CD-O 3.29Å; R232-S269 PolarHBondContact NE-O 3.42Å; R232-H270 PolarHBondContact NH2-O 3.41Å; R232-L271 PolarHBondContact NE-O 3.43Å; R232-L271 PolarHBondContact NH2-O 3.34Å; R232-M289 HydrophobicContact CG-CE 4.39Å; R232-M289 HydrophobicContact CG-SD 3.93Å; R232-M289 PolarHBondContact NH2-SD 2.78Å; R232-L290 PolarHBondContact NH2-O 2.71Å; R232-N292 PolarHBondContact NH1-OD1 2.71Å; R232-N292 PolarHBondContact NH2-OD1 3.1Å
233	L	98.8	Very high	98.5	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.016	8%	0.083	C	C	.	.	H	α-helix	trans	-65.1	-39.6	-178.4	-55.6	-176.3	0	0	0	110.9	F182 L186 R195 G231 L236 T237 M247 M251 L268	F182-L233 HydrophobicContact CE1-CB 3.74Å; F182-L233 HydrophobicContact CZ-CB 4.01Å; L186-L233 HydrophobicContact CD1-CD1 4.39Å; R195-L233 HydrophobicContact CB-CD1 4.11Å; G231-L233 VanDerWaalsContact C-N 3.32Å; G231-L233 PolarHBondContact O-N 3.32Å; L233-L236 HydrophobicContact CD2-CD1 4.35Å; L233-L236 PolarHBondContact O-N 3.29Å; L233-T237 PolarHBondContact O-N 3.26Å; L233-T237 PolarHBondContact O-OG1 2.63Å; L233-M247 HydrophobicContact CB-CE 3.78Å; L233-M247 HydrophobicContact CB-SD 3.91Å; L233-M247 HydrophobicContact CD1-SD 3.94Å; L233-M247 HydrophobicContact CD2-CE 3.71Å; L233-M247 HydrophobicContact CD2-SD 3.96Å; L233-M247 HydrophobicContact CG-CE 4.21Å; L233-M247 HydrophobicContact CG-SD 4.13Å; L233-M251 HydrophobicContact CD1-CE 4.02Å; L233-L268 HydrophobicContact CD1-CD1 4.07Å; L233-L268 HydrophobicContact CD1-CD2 3.71Å; L233-L268 HydrophobicContact CD1-CG 3.82Å; L233-L268 HydrophobicContact CD2-CD1 3.91Å; L233-L268 HydrophobicContact CD2-CG 3.99Å
234	N	98.8	Very high	98.5	Very high	3 Å²	3	16.5 Å²	16.5	2%	0.016	9%	0.089	C	C	.	.	H	α-helix	trans	-60.7	-45.8	175.1	-48.1	69.8	0	0	0	111.2	S179 D183 M205 G231 R232 G238	S179-N234 PolarHBondContact O-ND2 2.75Å; S179-N234 VanDerWaalsContact O-ND2 3.15Å; S179-N234 PolarHBondContact OG-ND2 3.3Å; D183-N234 PolarHBondContact OD2-ND2 2.87Å; M205-N234 WeakPolarHBondContact CE-O 3.11Å; M205-N234 HydrophobicContact SD-CB 4.14Å; G231-N234 WeakPolarHBondContact CA-OD1 3.16Å; G231-N234 WeakPolarHBondContact O-CB 3.38Å; G231-N234 PolarHBondContact O-N 3.24Å; R232-N234 VanDerWaalsContact C-N 3.32Å; R232-N234 PolarHBondContact O-N 3.42Å; N234-G238 VanDerWaalsContact O-CA 3.31Å; N234-G238 WeakPolarHBondContact O-CA 3.28Å; N234-G238 PolarHBondContact O-N 3.3Å
235	L	98.9	Very high	98.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.5	-45	175.5	176.4	57.3	0	0	0	111.7	F208 F212 M227 G231 R232 L239 L240 M289	F208-L235 HydrophobicContact CB-CD1 3.86Å; F208-L235 HydrophobicContact CD1-CD1 4.36Å; F208-L235 HydrophobicContact CD1-CD2 4.03Å; F208-L235 HydrophobicContact CD2-CB 4.38Å; F208-L235 HydrophobicContact CD2-CD1 3.71Å; F208-L235 HydrophobicContact CD2-CD2 4.03Å; F208-L235 HydrophobicContact CD2-CG 4.26Å; F208-L235 HydrophobicContact CE1-CD2 3.92Å; F208-L235 HydrophobicContact CE2-CB 4.31Å; F208-L235 HydrophobicContact CE2-CD1 4.36Å; F208-L235 HydrophobicContact CE2-CD2 3.92Å; F208-L235 HydrophobicContact CE2-CG 4.42Å; F208-L235 HydrophobicContact CG-CD1 3.73Å; F208-L235 HydrophobicContact CG-CD2 4.1Å; F208-L235 HydrophobicContact CZ-CD2 3.87Å; F212-L235 HydrophobicContact CE2-CD1 4.38Å; M227-L235 HydrophobicContact CE-CD2 4.4Å; M227-L235 HydrophobicContact SD-CD2 3.63Å; G231-L235 PolarHBondContact O-N 2.85Å; G231-L235 VanDerWaalsContact O-N 3.15Å; R232-L235 PolarHBondContact O-N 3.15Å; L235-L239 HydrophobicContact CD1-CB 4Å; L235-L239 HydrophobicContact CD1-CD1 3.89Å; L235-L239 HydrophobicContact CD1-CG 4.42Å; L235-L239 PolarHBondContact O-N 2.95Å; L235-L239 VanDerWaalsContact O-N 3.08Å; L235-L240 HydrophobicContact CD1-CD1 4.42Å; L235-L240 HydrophobicContact CD1-CG 4.13Å; L235-L240 HydrophobicContact CD2-CD1 4.29Å; L235-L240 HydrophobicContact CG-CD1 3.91Å; L235-L240 HydrophobicContact CG-CG 4.09Å; L235-L240 PolarHBondContact O-N 3.45Å; L235-L240 VanDerWaalsContact O-N 3.09Å; L235-M289 HydrophobicContact CD2-CE 3.49Å; L235-M289 VanDerWaalsContact CD2-CE 3.49Å; L235-M289 HydrophobicContact CG-CE 4.04Å
236	L	98.8	Very high	98.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-57.6	-52.8	-179.4	-78.1	170.6	0	0	0	111.8	R232 L233 L240 K241 F242 L271 M289	R232-L236 HydrophobicContact CG-CD1 4.05Å; R232-L236 HydrophobicContact CG-CG 4.42Å; R232-L236 WeakPolarHBondContact O-CB 3.38Å; R232-L236 VanDerWaalsContact O-CG 3.3Å; R232-L236 WeakPolarHBondContact O-CG 3.32Å; R232-L236 PolarHBondContact O-N 3.48Å; L233-L236 HydrophobicContact CD2-CD1 4.35Å; L233-L236 PolarHBondContact O-N 3.29Å; L236-L240 HydrophobicContact CD2-CD1 4.29Å; L236-L240 CarbonylContact O-C 3.5Å; L236-L240 VanDerWaalsContact O-C 3.25Å; L236-L240 WeakPolarHBondContact O-CA 3.2Å; L236-L240 PolarHBondContact O-N 2.92Å; L236-K241 PolarHBondContact O-N 2.83Å; L236-F242 VanDerWaalsContact C-CB 3.45Å; L236-F242 HydrophobicContact CB-CB 3.73Å; L236-F242 HydrophobicContact CB-CG 4.1Å; L236-F242 HydrophobicContact CD2-CB 4.38Å; L236-F242 HydrophobicContact CD2-CD2 4.12Å; L236-F242 HydrophobicContact CD2-CG 4.45Å; L236-F242 WeakPolarHBondContact O-CB 3.41Å; L236-F242 PolarHBondContact O-N 3.17Å; L236-L271 HydrophobicContact CD1-CB 4.08Å; L236-M289 HydrophobicContact CD2-CE 4.41Å; L236-M289 HydrophobicContact CD2-SD 3.88Å; L236-M289 HydrophobicContact CG-SD 4.21Å
237	T	98.5	Very high	98.3	Very high	16 Å²	16	18.2 Å²	18.2	10%	0.098	10%	0.098	C	C	.	.	H	α-helix	trans	-81.7	-35.2	-176.5	52.9	0	0	0	0	112.8	F182 L233 F242 P244 M247	F182-T237 HydrophobicContact CE2-CG2 3.93Å; F182-T237 HydrophobicContact CZ-CG2 4.17Å; L233-T237 PolarHBondContact O-N 3.26Å; L233-T237 PolarHBondContact O-OG1 2.63Å; T237-F242 HydrophobicContact CG2-CD1 4.5Å; T237-P244 HydrophobicContact CG2-CG 4.26Å; T237-M247 HydrophobicContact CG2-CE 3.44Å; T237-M247 VanDerWaalsContact CG2-CE 3.44Å; T237-M247 HydrophobicContact CG2-SD 4.39Å
238	G	98.3	Very high	98.3	Very high	29 Å²	29	18.2 Å²	18.2	30%	0.299	10%	0.098	S	C	.	.	H	α-helix	trans	-74.7	-42.9	-175.7	0	0	0	0	0	113.9	N234	N234-G238 VanDerWaalsContact O-CA 3.31Å; N234-G238 WeakPolarHBondContact O-CA 3.28Å; N234-G238 PolarHBondContact O-N 3.3Å
239	L	98.6	Very high	98.2	Very high	23 Å²	23	19.1 Å²	19.1	12%	0.12	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.8	-31	-175.3	-62.8	172.1	0	0	0	113.7	L175 M205 F208 Y209 F212 L235 K241 L277	L175-L239 HydrophobicContact CD2-CD2 3.89Å; M205-L239 HydrophobicContact CE-CD1 3.9Å; M205-L239 HydrophobicContact CE-CG 3.85Å; F208-L239 HydrophobicContact CB-CD1 3.62Å; Y209-L239 HydrophobicContact CD2-CD2 4.17Å; F212-L239 HydrophobicContact CE2-CB 4.35Å; F212-L239 HydrophobicContact CE2-CD1 4.32Å; L235-L239 HydrophobicContact CD1-CB 4Å; L235-L239 HydrophobicContact CD1-CD1 3.89Å; L235-L239 HydrophobicContact CD1-CG 4.42Å; L235-L239 PolarHBondContact O-N 2.95Å; L235-L239 VanDerWaalsContact O-N 3.08Å; L239-K241 VanDerWaalsContact C-N 3.31Å; L239-K241 PolarHBondContact O-N 3.35Å; L239-L277 WeakPolarHBondContact O-CD2 3.27Å
240	L	98.5	Very high	98.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	-94.4	20.5	-174.1	-52.3	-177.5	0	0	0	114	F212 L235 L236 F242 S273 V275 L277 V287 M289	F212-L240 HydrophobicContact CE2-CD2 3.93Å; F212-L240 HydrophobicContact CZ-CD2 4.02Å; L235-L240 HydrophobicContact CD1-CD1 4.42Å; L235-L240 HydrophobicContact CD1-CG 4.13Å; L235-L240 HydrophobicContact CD2-CD1 4.29Å; L235-L240 HydrophobicContact CG-CD1 3.91Å; L235-L240 HydrophobicContact CG-CG 4.09Å; L235-L240 PolarHBondContact O-N 3.45Å; L235-L240 VanDerWaalsContact O-N 3.09Å; L236-L240 HydrophobicContact CD2-CD1 4.29Å; L236-L240 CarbonylContact O-C 3.5Å; L236-L240 VanDerWaalsContact O-C 3.25Å; L236-L240 WeakPolarHBondContact O-CA 3.2Å; L236-L240 PolarHBondContact O-N 2.92Å; L240-F242 PolarHBondContact O-N 3.45Å; L240-S273 PolarHBondContact O-OG 2.97Å; L240-V275 HydrophobicContact CB-CG2 4.31Å; L240-V275 HydrophobicContact CD2-CG2 4.43Å; L240-V275 WeakPolarHBondContact O-CG1 3.43Å; L240-L277 HydrophobicContact CD2-CD1 4.42Å; L240-V287 HydrophobicContact CD2-CB 4.17Å; L240-V287 HydrophobicContact CD2-CG1 3.62Å; L240-M289 HydrophobicContact CD1-CB 4.3Å; L240-M289 HydrophobicContact CD1-CE 3.71Å
241	K	96.9	Very high	98	Very high	135 Å²	135	18.9 Å²	18.9	59%	0.587	10%	0.099	S	C	*	.			trans	48.9	30.8	175	-54.3	175.6	179.4	169.9	0	113.4	L236 L239 V275 E276 L277	L236-K241 PolarHBondContact O-N 2.83Å; L239-K241 VanDerWaalsContact C-N 3.31Å; L239-K241 PolarHBondContact O-N 3.35Å; K241-V275 HydrophobicContact CB-CG1 4.28Å; K241-E276 PolarHBondContact NZ-O 3.21Å; K241-L277 HydrophobicContact CD-CD2 4.3Å; K241-L277 HydrophobicContact CG-CD2 4.44Å
242	F	97.8	Very high	97.9	Very high	12 Å²	12	26.2 Å²	26.2	5%	0.053	13%	0.127	C	C	.	.			trans	-70.5	130	179.2	-171.3	-86.6	0	0	0	109.6	L236 T237 L240 P244 L246 M247 L271 T272	L236-F242 VanDerWaalsContact C-CB 3.45Å; L236-F242 HydrophobicContact CB-CB 3.73Å; L236-F242 HydrophobicContact CB-CG 4.1Å; L236-F242 HydrophobicContact CD2-CB 4.38Å; L236-F242 HydrophobicContact CD2-CD2 4.12Å; L236-F242 HydrophobicContact CD2-CG 4.45Å; L236-F242 WeakPolarHBondContact O-CB 3.41Å; L236-F242 PolarHBondContact O-N 3.17Å; T237-F242 HydrophobicContact CG2-CD1 4.5Å; L240-F242 PolarHBondContact O-N 3.45Å; F242-P244 WeakPolarHBondContact O-CD 3.32Å; F242-L246 HydrophobicContact CE1-CB 4.02Å; F242-L246 HydrophobicContact CE1-CD2 4.31Å; F242-L246 HydrophobicContact CE1-CG 4.22Å; F242-L246 HydrophobicContact CE2-CD2 4.18Å; F242-L246 HydrophobicContact CZ-CB 4.18Å; F242-L246 HydrophobicContact CZ-CD2 3.65Å; F242-L246 HydrophobicContact CZ-CG 3.87Å; F242-M247 HydrophobicContact CD1-CB 4.41Å; F242-M247 HydrophobicContact CD1-CE 4.05Å; F242-M247 HydrophobicContact CE1-CB 3.93Å; F242-M247 HydrophobicContact CE1-CE 4.33Å; F242-L271 HydrophobicContact CE1-CD1 4.11Å; F242-L271 HydrophobicContact CE2-CB 4.23Å; F242-L271 HydrophobicContact CZ-CB 4.11Å; F242-L271 HydrophobicContact CZ-CD1 3.8Å; F242-L271 HydrophobicContact CZ-CD2 4.24Å; F242-L271 HydrophobicContact CZ-CG 4.28Å; F242-T272 VanDerWaalsContact CD2-O 3.22Å; F242-T272 WeakPolarHBondContact CD2-O 3.44Å; F242-T272 WeakPolarHBondContact CE2-O 3.47Å
243	P	97.2	Very high	97.7	Very high	36 Å²	36	29.4 Å²	29.4	23%	0.234	16%	0.161	C	C	.	.			trans	-67.4	116	-176.9	23.6	-30.2	0	0	0	111.1	E245 L246 M247 Y504	P243-E245 PolarHBondContact O-N 2.91Å; P243-L246 HydrophobicContact CB-CB 4.37Å; P243-L246 HydrophobicContact CG-CB 3.84Å; P243-L246 HydrophobicContact CG-CD2 4.16Å; P243-L246 WeakPolarHBondContact O-CB 3.32Å; P243-L246 PolarHBondContact O-N 3.11Å; P243-L246 VanDerWaalsContact O-N 3.09Å; P243-M247 PolarHBondContact O-N 3.34Å; P243-Y504 HydrophobicContact CB-CE2 4.13Å; P243-Y504 VanDerWaalsContact CG-OH 3.25Å; P243-Y504 WeakPolarHBondContact CG-OH 3.46Å
244	P	98	Very high	97.6	Very high	21 Å²	21	33 Å²	33	14%	0.136	18%	0.179	C	C	.	.	H	α-helix	trans	-58.4	-32.3	179.9	-25.6	36	0	0	0	113.1	T237 F242 L246 M247 F248 L494 K497	T237-P244 HydrophobicContact CG2-CG 4.26Å; F242-P244 WeakPolarHBondContact O-CD 3.32Å; P244-L246 VanDerWaalsContact C-N 3.28Å; P244-L246 PolarHBondContact O-N 3.41Å; P244-M247 WeakPolarHBondContact O-CA 3.25Å; P244-M247 WeakPolarHBondContact O-CB 3.42Å; P244-M247 PolarHBondContact O-N 3.3Å; P244-F248 HydrophobicContact CB-CD2 4.43Å; P244-F248 HydrophobicContact CB-CE1 4.49Å; P244-F248 HydrophobicContact CB-CE2 3.76Å; P244-F248 HydrophobicContact CB-CZ 3.8Å; P244-F248 VanDerWaalsContact O-CD2 3.22Å; P244-F248 WeakPolarHBondContact O-CD2 3.36Å; P244-F248 WeakPolarHBondContact O-CG 3.44Å; P244-F248 PolarHBondContact O-N 2.8Å; P244-L494 HydrophobicContact CB-CD2 4.23Å; P244-L494 HydrophobicContact CG-CD2 4.22Å; P244-K497 HydrophobicContact CB-CB 4.27Å
245	E	97.9	Very high	97.4	Very high	22 Å²	22	34.9 Å²	34.9	10%	0.103	19%	0.193	C	C	.	.	H	α-helix	trans	-56	-42.6	176.2	-57.9	94.5	145	0	0	111.7	P243 M247 F248 R249 K497 Y504	P243-E245 PolarHBondContact O-N 2.91Å; E245-M247 VanDerWaalsContact C-N 3.33Å; E245-M247 PolarHBondContact O-N 3.33Å; E245-F248 PolarHBondContact O-N 2.93Å; E245-R249 WeakPolarHBondContact O-CG 3.14Å; E245-R249 PolarHBondContact O-N 3.25Å; E245-K497 HydrophobicContact CG-CB 4.27Å; E245-K497 HydrophobicContact CG-CD 4.17Å; E245-K497 WeakPolarHBondContact CG-O 3.44Å; E245-K497 WeakPolarHBondContact OE1-CD 3.48Å; E245-K497 WeakPolarHBondContact OE1-CE 3.4Å; E245-K497 IonicContact OE1-NZ 2.66Å; E245-K497 PolarHBondContact OE1-NZ 3.4Å; E245-K497 WeakPolarHBondContact OE2-CD 3.43Å; E245-Y504 HydrophobicContact CB-CD1 4.02Å; E245-Y504 HydrophobicContact CB-CD2 3.68Å; E245-Y504 HydrophobicContact CB-CE2 4.28Å; E245-Y504 HydrophobicContact CB-CG 3.53Å; E245-Y504 HydrophobicContact CG-CD2 4.09Å; E245-Y504 HydrophobicContact CG-CG 4.28Å
246	L	96.8	Very high	97.2	Very high	14 Å²	14	35.6 Å²	35.6	7%	0.073	20%	0.196	C	C	.	.	H	α-helix	trans	-66.4	-37.3	177.3	-176.2	55.8	0	0	0	111.8	F242 P243 P244 R249 K250 E256 Y504 P506	F242-L246 HydrophobicContact CE1-CB 4.02Å; F242-L246 HydrophobicContact CE1-CD2 4.31Å; F242-L246 HydrophobicContact CE1-CG 4.22Å; F242-L246 HydrophobicContact CE2-CD2 4.18Å; F242-L246 HydrophobicContact CZ-CB 4.18Å; F242-L246 HydrophobicContact CZ-CD2 3.65Å; F242-L246 HydrophobicContact CZ-CG 3.87Å; P243-L246 HydrophobicContact CB-CB 4.37Å; P243-L246 HydrophobicContact CG-CB 3.84Å; P243-L246 HydrophobicContact CG-CD2 4.16Å; P243-L246 WeakPolarHBondContact O-CB 3.32Å; P243-L246 PolarHBondContact O-N 3.11Å; P243-L246 VanDerWaalsContact O-N 3.09Å; P244-L246 VanDerWaalsContact C-N 3.28Å; P244-L246 PolarHBondContact O-N 3.41Å; L246-R249 WeakPolarHBondContact O-CB 3.29Å; L246-R249 PolarHBondContact O-N 3.14Å; L246-K250 PolarHBondContact O-N 3.28Å; L246-E256 HydrophobicContact CD1-CB 4.06Å; L246-E256 WeakPolarHBondContact CD1-O 3.24Å; L246-Y504 HydrophobicContact CB-CE1 3.77Å; L246-Y504 HydrophobicContact CD1-CE1 4.12Å; L246-Y504 HydrophobicContact CG-CE1 4.44Å; L246-P506 HydrophobicContact CD1-CB 3.91Å; L246-P506 HydrophobicContact CD1-CG 3.85Å
247	M	98.1	Very high	97	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.8	-46.1	175.7	-167.7	-179.5	-65.9	0	0	111.2	F182 L233 T237 F242 P243 P244 E245 R249 K250 M251 L268 L271	F182-M247 HydrophobicContact CE2-SD 4.34Å; F182-M247 HydrophobicContact CZ-CE 4.19Å; F182-M247 HydrophobicContact CZ-SD 3.62Å; L233-M247 HydrophobicContact CB-CE 3.78Å; L233-M247 HydrophobicContact CB-SD 3.91Å; L233-M247 HydrophobicContact CD1-SD 3.94Å; L233-M247 HydrophobicContact CD2-CE 3.71Å; L233-M247 HydrophobicContact CD2-SD 3.96Å; L233-M247 HydrophobicContact CG-CE 4.21Å; L233-M247 HydrophobicContact CG-SD 4.13Å; T237-M247 HydrophobicContact CG2-CE 3.44Å; T237-M247 VanDerWaalsContact CG2-CE 3.44Å; T237-M247 HydrophobicContact CG2-SD 4.39Å; F242-M247 HydrophobicContact CD1-CB 4.41Å; F242-M247 HydrophobicContact CD1-CE 4.05Å; F242-M247 HydrophobicContact CE1-CB 3.93Å; F242-M247 HydrophobicContact CE1-CE 4.33Å; P243-M247 PolarHBondContact O-N 3.34Å; P244-M247 WeakPolarHBondContact O-CA 3.25Å; P244-M247 WeakPolarHBondContact O-CB 3.42Å; P244-M247 PolarHBondContact O-N 3.3Å; E245-M247 VanDerWaalsContact C-N 3.33Å; E245-M247 PolarHBondContact O-N 3.33Å; M247-R249 VanDerWaalsContact C-N 3.3Å; M247-R249 PolarHBondContact O-N 3.29Å; M247-K250 WeakPolarHBondContact O-CB 3.35Å; M247-K250 PolarHBondContact O-N 3.24Å; M247-K250 VanDerWaalsContact O-N 3.11Å; M247-M251 HydrophobicContact CG-CE 3.9Å; M247-M251 WeakPolarHBondContact O-CG 3.48Å; M247-M251 PolarHBondContact O-N 3.37Å; M247-M251 HydrophobicContact SD-CE 3.87Å; M247-L268 HydrophobicContact CG-CD1 3.52Å; M247-L268 HydrophobicContact SD-CD1 4.35Å; M247-L271 HydrophobicContact CG-CD1 4.35Å
248	F	98.3	Very high	96.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.9	-37.7	178	-59	-28.2	0	0	0	111.9	F185 L186 F190 P244 E245 K250 M251 R252 L494 K497 L498 M501	F185-F248 HydrophobicContact CD1-CE1 4.32Å; F185-F248 HydrophobicContact CD1-CZ 4.22Å; F185-F248 AromaticContact CE1-CE1 3.79Å; F185-F248 HydrophobicContact CE1-CE1 3.79Å; F185-F248 HydrophobicContact CE1-CE2 4.27Å; F185-F248 AromaticContact CE1-CZ 3.5Å; F185-F248 HydrophobicContact CE1-CZ 3.5Å; F185-F248 HydrophobicContact CZ-CZ 4.25Å; L186-F248 HydrophobicContact CD2-CD1 4.39Å; L186-F248 HydrophobicContact CD2-CE1 3.86Å; F190-F248 HydrophobicContact CE2-CB 4.5Å; F190-F248 AromaticContact CE2-CD1 3.55Å; F190-F248 HydrophobicContact CE2-CD1 3.55Å; F190-F248 HydrophobicContact CE2-CE1 4.02Å; F190-F248 HydrophobicContact CE2-CG 4.14Å; F190-F248 HydrophobicContact CZ-CB 3.9Å; F190-F248 AromaticContact CZ-CD1 3.83Å; F190-F248 HydrophobicContact CZ-CD1 3.83Å; F190-F248 HydrophobicContact CZ-CG 4.01Å; P244-F248 HydrophobicContact CB-CD2 4.43Å; P244-F248 HydrophobicContact CB-CE1 4.49Å; P244-F248 HydrophobicContact CB-CE2 3.76Å; P244-F248 HydrophobicContact CB-CZ 3.8Å; P244-F248 VanDerWaalsContact O-CD2 3.22Å; P244-F248 WeakPolarHBondContact O-CD2 3.36Å; P244-F248 WeakPolarHBondContact O-CG 3.44Å; P244-F248 PolarHBondContact O-N 2.8Å; E245-F248 PolarHBondContact O-N 2.93Å; F248-K250 PolarHBondContact O-N 2.92Å; F248-M251 HydrophobicContact CD1-SD 4.19Å; F248-M251 PolarHBondContact O-N 2.82Å; F248-R252 WeakPolarHBondContact O-CG 3.41Å; F248-R252 PolarHBondContact O-N 3.1Å; F248-L494 HydrophobicContact CZ-CD2 4.31Å; F248-K497 HydrophobicContact CE2-CB 4.02Å; F248-L498 HydrophobicContact CB-CD1 4.02Å; F248-L498 HydrophobicContact CD2-CB 3.94Å; F248-L498 HydrophobicContact CD2-CD1 3.85Å; F248-L498 HydrophobicContact CE2-CB 3.88Å; F248-L498 HydrophobicContact CG-CD1 3.96Å; F248-M501 VanDerWaalsContact C-SD 3.51Å; F248-M501 HydrophobicContact CB-CG 4.1Å; F248-M501 HydrophobicContact CB-SD 3.52Å; F248-M501 VanDerWaalsContact CB-SD 3.52Å
249	R	96.6	Very high	96.4	Very high	29 Å²	29	42.3 Å²	42.3	11%	0.109	23%	0.225	C	C	.	.	H	α-helix	trans	-55.8	-50.9	170.7	-76.8	176	61.3	87.4	5.5	111.3	E245 L246 M247 M251 R252 G253 L254 S255 M501 Y504	E245-R249 WeakPolarHBondContact O-CG 3.14Å; E245-R249 PolarHBondContact O-N 3.25Å; L246-R249 WeakPolarHBondContact O-CB 3.29Å; L246-R249 PolarHBondContact O-N 3.14Å; M247-R249 VanDerWaalsContact C-N 3.3Å; M247-R249 PolarHBondContact O-N 3.29Å; R249-M251 VanDerWaalsContact C-N 3.32Å; R249-M251 PolarHBondContact O-N 2.77Å; R249-R252 CarbonylContact O-C 3.54Å; R249-R252 WeakPolarHBondContact O-CA 3.35Å; R249-R252 WeakPolarHBondContact O-CB 3.5Å; R249-R252 PolarHBondContact O-N 2.97Å; R249-G253 PolarHBondContact O-N 3.33Å; R249-L254 HydrophobicContact CB-CB 4.13Å; R249-L254 HydrophobicContact CB-CD1 4.47Å; R249-L254 HydrophobicContact CG-CD1 4.33Å; R249-L254 WeakPolarHBondContact O-CB 3.29Å; R249-L254 PolarHBondContact O-N 2.85Å; R249-S255 PolarHBondContact NE-O 3.1Å; R249-S255 PolarHBondContact NH2-O 3.05Å; R249-S255 VanDerWaalsContact NH2-O 3.17Å; R249-M501 HydrophobicContact CG-CG 3.72Å; R249-M501 HydrophobicContact CG-SD 4.21Å; R249-Y504 PolarHBondContact NH1-O 2.84Å
250	K	96.8	Very high	96	Very high	33 Å²	33	46.6 Å²	46.6	14%	0.143	26%	0.257	C	S	.	.	H	α-helix	trans	-61.3	-39.3	178.5	-178	56.6	60.5	165.1	0	112.1	L246 M247 F248 R252 G253 E256 D266 L268 L271	L246-K250 PolarHBondContact O-N 3.28Å; M247-K250 WeakPolarHBondContact O-CB 3.35Å; M247-K250 PolarHBondContact O-N 3.24Å; M247-K250 VanDerWaalsContact O-N 3.11Å; F248-K250 PolarHBondContact O-N 2.92Å; K250-R252 PolarHBondContact O-N 2.83Å; K250-G253 PolarHBondContact O-N 3.43Å; K250-E256 VanDerWaalsContact CE-CD 3.44Å; K250-E256 WeakPolarHBondContact CE-OE1 3.45Å; K250-E256 VanDerWaalsContact CE-OE2 3.31Å; K250-E256 WeakPolarHBondContact CE-OE2 3.34Å; K250-E256 IonicContact NZ-OE1 3.8Å; K250-E256 PolarHBondContact NZ-OE1 3Å; K250-E256 IonicContact NZ-OE2 2.67Å; K250-E256 PolarHBondContact NZ-OE2 3.28Å; K250-D266 WeakPolarHBondContact CD-O 3.42Å; K250-D266 WeakPolarHBondContact CE-O 3.39Å; K250-D266 PolarHBondContact NZ-O 3.33Å; K250-L268 HydrophobicContact CG-CB 4.16Å; K250-L268 HydrophobicContact CG-CD1 4.3Å; K250-L271 HydrophobicContact CB-CD1 4.41Å; K250-L271 HydrophobicContact CG-CD1 4.46Å
251	M	97.4	Very high	95.6	Very high	19 Å²	19	47.8 Å²	47.8	9%	0.094	27%	0.265	C	S	.	.	H	α-helix	trans	-63.3	-27.6	174.3	-67.6	177.4	172.3	0	0	113.4	L186 F190 V193 L233 M247 F248 R249 G253 L268	L186-M251 HydrophobicContact CD1-CE 3.55Å; L186-M251 HydrophobicContact CD2-CE 3.52Å; L186-M251 HydrophobicContact CD2-SD 3.67Å; L186-M251 HydrophobicContact CG-CE 4.14Å; F190-M251 HydrophobicContact CB-SD 4.34Å; F190-M251 HydrophobicContact CD1-CB 3.76Å; F190-M251 HydrophobicContact CD1-SD 4.16Å; F190-M251 HydrophobicContact CD2-SD 3.76Å; F190-M251 HydrophobicContact CE1-CB 3.8Å; F190-M251 HydrophobicContact CE1-SD 4.38Å; F190-M251 HydrophobicContact CE2-SD 4.01Å; F190-M251 HydrophobicContact CG-CB 4.35Å; F190-M251 HydrophobicContact CG-SD 3.83Å; F190-M251 HydrophobicContact CZ-CB 4.43Å; F190-M251 HydrophobicContact CZ-SD 4.31Å; V193-M251 HydrophobicContact CG1-CB 4.44Å; V193-M251 HydrophobicContact CG1-CG 4.15Å; V193-M251 HydrophobicContact CG2-CB 4.43Å; L233-M251 HydrophobicContact CD1-CE 4.02Å; M247-M251 HydrophobicContact CG-CE 3.9Å; M247-M251 WeakPolarHBondContact O-CG 3.48Å; M247-M251 PolarHBondContact O-N 3.37Å; M247-M251 HydrophobicContact SD-CE 3.87Å; F248-M251 HydrophobicContact CD1-SD 4.19Å; F248-M251 PolarHBondContact O-N 2.82Å; R249-M251 VanDerWaalsContact C-N 3.32Å; R249-M251 PolarHBondContact O-N 2.77Å; M251-G253 VanDerWaalsContact C-N 3.27Å; M251-L268 HydrophobicContact CE-CD1 4.03Å; M251-L268 HydrophobicContact CE-CD2 3.62Å; M251-L268 HydrophobicContact CE-CG 4.46Å; M251-L268 HydrophobicContact CG-CD1 4.09Å; M251-L268 HydrophobicContact CG-CD2 3.92Å
252	R	96.4	Very high	95.3	Very high	154 Å²	154	45.6 Å²	45.6	58%	0.581	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	3.8	172.9	-68.1	-68.1	-176.1	178.4	-4.3	113.7	F190 F248 R249 K250 L254 M501	F190-R252 HydrophobicContact CE1-CG 4.16Å; F248-R252 WeakPolarHBondContact O-CG 3.41Å; F248-R252 PolarHBondContact O-N 3.1Å; R249-R252 CarbonylContact O-C 3.54Å; R249-R252 WeakPolarHBondContact O-CA 3.35Å; R249-R252 WeakPolarHBondContact O-CB 3.5Å; R249-R252 PolarHBondContact O-N 2.97Å; K250-R252 PolarHBondContact O-N 2.83Å; R252-L254 VanDerWaalsContact C-N 3.3Å; R252-L254 HydrophobicContact CB-CD1 4.42Å; R252-L254 HydrophobicContact CB-CG 4.24Å; R252-M501 HydrophobicContact CG-CE 4.21Å; R252-M501 HydrophobicContact CG-SD 4.3Å
253	G	94.9	Very high	95.1	Very high	69 Å²	69	46 Å²	46	71%	0.711	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	16	-176.9	0	0	0	0	0	113.9	R249 K250 M251	R249-G253 PolarHBondContact O-N 3.33Å; K250-G253 PolarHBondContact O-N 3.43Å; M251-G253 VanDerWaalsContact C-N 3.27Å
254	L	95.3	Very high	95	Very high	78 Å²	78	50.7 Å²	50.7	41%	0.408	29%	0.292	S	S	.	.			trans	-88	159.4	175.6	-55.3	176	0	0	0	111	R249 R252	R249-L254 HydrophobicContact CB-CB 4.13Å; R249-L254 HydrophobicContact CB-CD1 4.47Å; R249-L254 HydrophobicContact CG-CD1 4.33Å; R249-L254 WeakPolarHBondContact O-CB 3.29Å; R249-L254 PolarHBondContact O-N 2.85Å; R252-L254 VanDerWaalsContact C-N 3.3Å; R252-L254 HydrophobicContact CB-CD1 4.42Å; R252-L254 HydrophobicContact CB-CG 4.24Å
255	S	94.8	Very high	94.9	Very high	43 Å²	43	50 Å²	50	30%	0.301	29%	0.289	S	S	.	.			trans	-64.5	139.9	176.9	-174.1	0	0	0	0	112	R249 F257	R249-S255 PolarHBondContact NE-O 3.1Å; R249-S255 PolarHBondContact NH2-O 3.05Å; R249-S255 VanDerWaalsContact NH2-O 3.17Å; S255-F257 VanDerWaalsContact C-N 3.29Å; S255-F257 PolarHBondContact OG-N 3.46Å; S255-F257 PolarHBondContact OG-O 3.11Å
256	E	95.3	Very high	94.9	Very high	14 Å²	14	50.4 Å²	50.4	7%	0.065	29%	0.292	C	S	.	.	S	Bend	trans	-82.5	-6.5	168.6	73.8	-83.4	-118.4	0	0	113.1	L246 K250 G265 D266 L271 P506	L246-E256 HydrophobicContact CD1-CB 4.06Å; L246-E256 WeakPolarHBondContact CD1-O 3.24Å; K250-E256 VanDerWaalsContact CE-CD 3.44Å; K250-E256 WeakPolarHBondContact CE-OE1 3.45Å; K250-E256 VanDerWaalsContact CE-OE2 3.31Å; K250-E256 WeakPolarHBondContact CE-OE2 3.34Å; K250-E256 IonicContact NZ-OE1 3.8Å; K250-E256 PolarHBondContact NZ-OE1 3Å; K250-E256 IonicContact NZ-OE2 2.67Å; K250-E256 PolarHBondContact NZ-OE2 3.28Å; E256-G265 WeakPolarHBondContact OE1-CA 3.5Å; E256-D266 PolarHBondContact OE1-N 2.74Å; E256-L271 HydrophobicContact CB-CD2 3.96Å; E256-L271 HydrophobicContact CG-CD2 4.15Å; E256-P506 VanDerWaalsContact O-CB 3.32Å; E256-P506 WeakPolarHBondContact O-CB 3.33Å
257	F	95.4	Very high	94.9	Very high	15 Å²	15	53.3 Å²	53.3	7%	0.066	31%	0.31	C	S	.	.	S	Bend	trans	-113.2	162.5	178.2	-59.8	-61.7	0	0	0	110.8	S255 A263 K692 L694	S255-F257 VanDerWaalsContact C-N 3.29Å; S255-F257 PolarHBondContact OG-N 3.46Å; S255-F257 PolarHBondContact OG-O 3.11Å; F257-A263 HydrophobicContact CD2-CB 3.36Å; F257-A263 HydrophobicContact CE2-CB 3.58Å; F257-A263 HydrophobicContact CG-CB 4.12Å; F257-A263 HydrophobicContact CZ-CB 4.49Å; F257-K692 WeakPolarHBondContact CE2-O 3.47Å; F257-L694 HydrophobicContact CD1-CD1 3.57Å; F257-L694 HydrophobicContact CD1-CG 4.41Å; F257-L694 HydrophobicContact CE1-CD1 3.62Å; F257-L694 HydrophobicContact CE1-CG 4.11Å; F257-L694 HydrophobicContact CG-CD1 4.13Å; F257-L694 HydrophobicContact CZ-CD1 4.2Å; F257-L694 HydrophobicContact CZ-CG 4.2Å
258	P	93.3	Very high	94.9	Very high	22 Å²	22	54 Å²	54	14%	0.143	31%	0.314	C	S	.	.			trans	-54.6	148.1	169.5	-20.4	28.8	0	0	0	111.5	S260 S261 P506 P508	P258-S260 PolarHBondContact O-N 2.93Å; P258-S261 WeakPolarHBondContact O-CB 3.3Å; P258-S261 PolarHBondContact O-N 3.36Å; P258-P506 WeakPolarHBondContact CG-O 3.47Å; P258-P508 HydrophobicContact CG-CB 4.35Å
259	D	89.8	Confident	94.9	Very high	150 Å²	150	54.5 Å²	54.5	80%	0.802	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-20.4	-178.9	-63.7	-25.3	0	0	0	113.6	S261	D259-S261 VanDerWaalsContact C-N 3.32Å
260	S	89.8	Confident	95	Very high	113 Å²	113	53.7 Å²	53.7	79%	0.79	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-7	174.9	64	0	0	0	0	114.1	P258	P258-S260 PolarHBondContact O-N 2.93Å
261	S	91.6	Very high	95	Very high	25 Å²	25	52.7 Å²	52.7	18%	0.175	31%	0.311	C	S	.	.			trans	-71.8	139.5	-176.4	-174.7	0	0	0	0	111.1	P258 D259 A263	P258-S261 WeakPolarHBondContact O-CB 3.3Å; P258-S261 PolarHBondContact O-N 3.36Å; D259-S261 VanDerWaalsContact C-N 3.32Å; S261-A263 PolarHBondContact O-N 3.42Å; S261-A263 PolarHBondContact OG-N 2.86Å
262	P	89.1	Confident	95	Very high	89 Å²	89	54.4 Å²	54.4	58%	0.578	32%	0.322	S	S	*	.			trans	-76.8	-1.3	173.6	33	-36.3	0	0	0	113.2
263	A	94.3	Very high	95	Very high	20 Å²	20	47.7 Å²	47.7	17%	0.165	30%	0.299	C	S	.	.			trans	-65.4	145	-179.2	0	0	0	0	0	112.6	F257 S261 A691 L694	F257-A263 HydrophobicContact CD2-CB 3.36Å; F257-A263 HydrophobicContact CE2-CB 3.58Å; F257-A263 HydrophobicContact CG-CB 4.12Å; F257-A263 HydrophobicContact CZ-CB 4.49Å; S261-A263 PolarHBondContact O-N 3.42Å; S261-A263 PolarHBondContact OG-N 2.86Å; A263-A691 CarbonylContact C-O 3.48Å; A263-A691 VanDerWaalsContact CA-O 3.24Å; A263-A691 WeakPolarHBondContact CA-O 3.43Å; A263-A691 WeakPolarHBondContact CB-O 3.14Å; A263-L694 HydrophobicContact CB-CD2 3.65Å; A263-L694 HydrophobicContact CB-CG 4Å
264	I	95.2	Very high	95.1	Very high	134 Å²	134	48 Å²	48	69%	0.687	29%	0.29	S	S	*	.			trans	-85.8	-15.1	170	66	172.8	0	0	0	112.3	A691 K692	I264-A691 HydrophobicContact CD1-CB 4.06Å; I264-A691 HydrophobicContact CG1-CB 3.98Å; I264-A691 WeakPolarHBondContact CG1-O 3.26Å; I264-A691 PolarHBondContact N-O 3.45Å; I264-K692 HydrophobicContact CD1-CG 4.22Å; I264-K692 HydrophobicContact CG1-CG 4.31Å
265	G	95.9	Very high	95.2	Very high	8 Å²	8	45.5 Å²	45.5	8%	0.082	28%	0.279	C	S	.	.			trans	78.5	179.8	-177.4	0	0	0	0	0	114.3	E256	E256-G265 WeakPolarHBondContact OE1-CA 3.5Å
266	D	98	Very high	95.3	Very high	29 Å²	29	47.9 Å²	47.9	16%	0.155	29%	0.285	C	S	.	.			trans	-143.3	-178.7	173.5	-153.2	-14.1	0	0	0	111.3	K250 E256 H270 K692 W693	K250-D266 WeakPolarHBondContact CD-O 3.42Å; K250-D266 WeakPolarHBondContact CE-O 3.39Å; K250-D266 PolarHBondContact NZ-O 3.33Å; E256-D266 PolarHBondContact OE1-N 2.74Å; D266-H270 HydrophobicContact CB-CB 4.34Å; D266-H270 IonicContact OD1-CE1 3.81Å; D266-H270 IonicContact OD1-ND1 3.26Å; D266-H270 PolarHBondContact OD1-ND1 3.31Å; D266-H270 IonicContact OD2-CE1 2.74Å; D266-H270 IonicContact OD2-CG 3.65Å; D266-H270 IonicContact OD2-ND1 3.82Å; D266-H270 PolarHBondContact OD2-ND1 3.02Å; D266-K692 HydrophobicContact CB-CB 4.34Å; D266-W693 VanDerWaalsContact OD2-CE2 3.29Å; D266-W693 WeakPolarHBondContact OD2-CZ2 3.44Å; D266-W693 PolarHBondContact OD2-NE1 3.48Å
267	V	97.6	Very high	95.4	Very high	76 Å²	76	47.7 Å²	47.7	46%	0.461	28%	0.284	S	S	.	.			trans	-77.1	161.5	-179.5	-59.8	0	0	0	0	112.8	S269 H270	V267-S269 VanDerWaalsContact C-N 3.31Å; V267-S269 PolarHBondContact O-N 2.85Å; V267-H270 HydrophobicContact CG2-CB 4.49Å; V267-H270 WeakPolarHBondContact CG2-CE1 3.47Å; V267-H270 WeakPolarHBondContact CG2-ND1 3.36Å; V267-H270 PolarHBondContact O-N 2.62Å
268	L	97.6	Very high	95.4	Very high	15 Å²	15	52.9 Å²	52.9	8%	0.079	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-47.6	-47.4	-179	176.5	64.1	0	0	0	113.9	V193 L233 M247 K250 M251 H270 L271	V193-L268 HydrophobicContact CG1-CD2 4.08Å; L233-L268 HydrophobicContact CD1-CD1 4.07Å; L233-L268 HydrophobicContact CD1-CD2 3.71Å; L233-L268 HydrophobicContact CD1-CG 3.82Å; L233-L268 HydrophobicContact CD2-CD1 3.91Å; L233-L268 HydrophobicContact CD2-CG 3.99Å; M247-L268 HydrophobicContact CG-CD1 3.52Å; M247-L268 HydrophobicContact SD-CD1 4.35Å; K250-L268 HydrophobicContact CG-CB 4.16Å; K250-L268 HydrophobicContact CG-CD1 4.3Å; M251-L268 HydrophobicContact CE-CD1 4.03Å; M251-L268 HydrophobicContact CE-CD2 3.62Å; M251-L268 HydrophobicContact CE-CG 4.46Å; M251-L268 HydrophobicContact CG-CD1 4.09Å; M251-L268 HydrophobicContact CG-CD2 3.92Å; L268-H270 PolarHBondContact O-N 3.16Å; L268-H270 VanDerWaalsContact O-N 3.07Å; L268-L271 HydrophobicContact CD1-CD1 3.86Å; L268-L271 WeakPolarHBondContact O-CG 3.44Å; L268-L271 PolarHBondContact O-N 3.37Å
269	S	97.6	Very high	95.5	Very high	10 Å²	10	53 Å²	53	7%	0.07	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-72.4	2.2	-176.1	-53.3	0	0	0	0	114.2	R232 V267	R232-S269 WeakPolarHBondContact CD-O 3.29Å; R232-S269 PolarHBondContact NE-O 3.42Å; V267-S269 VanDerWaalsContact C-N 3.31Å; V267-S269 PolarHBondContact O-N 2.85Å
270	H	98.6	Very high	95.7	Very high	11 Å²	11	48.8 Å²	48.8	5%	0.051	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-112.5	-0.2	178.2	-55.3	168.1	0	0	0	112.9	R232 D266 V267 L268 N292 S294	R232-H270 PolarHBondContact NH2-O 3.41Å; D266-H270 HydrophobicContact CB-CB 4.34Å; D266-H270 IonicContact OD1-CE1 3.81Å; D266-H270 IonicContact OD1-ND1 3.26Å; D266-H270 PolarHBondContact OD1-ND1 3.31Å; D266-H270 IonicContact OD2-CE1 2.74Å; D266-H270 IonicContact OD2-CG 3.65Å; D266-H270 IonicContact OD2-ND1 3.82Å; D266-H270 PolarHBondContact OD2-ND1 3.02Å; V267-H270 HydrophobicContact CG2-CB 4.49Å; V267-H270 WeakPolarHBondContact CG2-CE1 3.47Å; V267-H270 WeakPolarHBondContact CG2-ND1 3.36Å; V267-H270 PolarHBondContact O-N 2.62Å; L268-H270 PolarHBondContact O-N 3.16Å; L268-H270 VanDerWaalsContact O-N 3.07Å; H270-N292 WeakPolarHBondContact CB-O 3.5Å; H270-N292 PolarHBondContact CD2-O 2.57Å; H270-N292 PolarHBondContact ND1-O 3.05Å; H270-N292 VanDerWaalsContact ND1-O 3.13Å; H270-S294 PolarHBondContact CE1-N 3.36Å; H270-S294 VanDerWaalsContact CE1-N 3.32Å; H270-S294 PolarHBondContact CE1-OG 3.17Å; H270-S294 PolarHBondContact NE2-N 3.22Å; H270-S294 PolarHBondContact NE2-OG 3.49Å
271	L	98.1	Very high	95.7	Very high	13 Å²	13	44.9 Å²	44.9	7%	0.068	28%	0.278	C	S	.	.			trans	-56.7	152	174.9	-69.8	174.8	0	0	0	111.6	R232 L236 F242 M247 K250 E256 L268	R232-L271 PolarHBondContact NE-O 3.43Å; R232-L271 PolarHBondContact NH2-O 3.34Å; L236-L271 HydrophobicContact CD1-CB 4.08Å; F242-L271 HydrophobicContact CE1-CD1 4.11Å; F242-L271 HydrophobicContact CE2-CB 4.23Å; F242-L271 HydrophobicContact CZ-CB 4.11Å; F242-L271 HydrophobicContact CZ-CD1 3.8Å; F242-L271 HydrophobicContact CZ-CD2 4.24Å; F242-L271 HydrophobicContact CZ-CG 4.28Å; M247-L271 HydrophobicContact CG-CD1 4.35Å; K250-L271 HydrophobicContact CB-CD1 4.41Å; K250-L271 HydrophobicContact CG-CD1 4.46Å; E256-L271 HydrophobicContact CB-CD2 3.96Å; E256-L271 HydrophobicContact CG-CD2 4.15Å; L268-L271 HydrophobicContact CD1-CD1 3.86Å; L268-L271 WeakPolarHBondContact O-CG 3.44Å; L268-L271 PolarHBondContact O-N 3.37Å
272	T	97.3	Very high	95.6	Very high	54 Å²	54	47.5 Å²	47.5	33%	0.331	31%	0.309	S	S	.	.			trans	-133.7	165.2	-172	59.7	0	0	0	0	112.1	F242 M289 L290 P291	F242-T272 VanDerWaalsContact CD2-O 3.22Å; F242-T272 WeakPolarHBondContact CD2-O 3.44Å; F242-T272 WeakPolarHBondContact CE2-O 3.47Å; T272-M289 WeakPolarHBondContact CB-O 3.44Å; T272-L290 VanDerWaalsContact CG2-C 3.43Å; T272-P291 HydrophobicContact CG2-CB 3.51Å; T272-P291 HydrophobicContact CG2-CG 4.13Å
273	S	96.6	Very high	95.7	Very high	13 Å²	13	48 Å²	48	9%	0.091	30%	0.3	C	S	.	.			trans	-138.9	149.6	170.3	-169.4	0	0	0	0	110.6	L240 V275 M289	L240-S273 PolarHBondContact O-OG 2.97Å; S273-V275 WeakPolarHBondContact OG-CG1 3.34Å; S273-M289 PolarHBondContact O-N 3.19Å
274	S	96.3	Very high	95.7	Very high	76 Å²	76	50.5 Å²	50.5	53%	0.531	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	107	171.8	169	0	0	0	0	107.8	H286 V287	S274-H286 PolarHBondContact OG-NE2 2.71Å; S274-V287 CarbonylContact C-O 3.15Å; S274-V287 WeakPolarHBondContact CA-O 3.4Å
275	V	96.6	Very high	95.8	Very high	26 Å²	26	44.1 Å²	44.1	16%	0.158	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	156.6	-168.7	-69.2	0	0	0	0	112	L240 K241 S273 L277 V287	L240-V275 HydrophobicContact CB-CG2 4.31Å; L240-V275 HydrophobicContact CD2-CG2 4.43Å; L240-V275 WeakPolarHBondContact O-CG1 3.43Å; K241-V275 HydrophobicContact CB-CG1 4.28Å; S273-V275 WeakPolarHBondContact OG-CG1 3.34Å; V275-L277 HydrophobicContact CB-CD2 4.48Å; V275-L277 HydrophobicContact CG2-CD2 3.75Å; V275-L277 HydrophobicContact CG2-CG 4.18Å; V275-V287 PolarHBondContact N-O 3.07Å; V275-V287 PolarHBondContact O-N 3.26Å
276	E	97.4	Very high	95.9	Very high	93 Å²	93	45.3 Å²	45.3	44%	0.435	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	125.6	165.7	-63.4	-65	159.9	0	0	108.7	K241 P284 H286	K241-E276 PolarHBondContact NZ-O 3.21Å; E276-P284 HydrophobicContact CB-CB 4.09Å; E276-H286 WeakPolarHBondContact OE1-CB 3.37Å; E276-H286 IonicContact OE1-CD2 3.34Å; E276-H286 PolarHBondContact OE1-CD2 3.17Å; E276-H286 IonicContact OE1-CG 3.4Å; E276-H286 WeakPolarHBondContact OE2-CA 3.48Å; E276-H286 PolarHBondContact OE2-N 2.95Å
277	L	97.2	Very high	96	Very high	10 Å²	10	44 Å²	44	5%	0.052	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.7	177.1	-57.3	-175.4	0	0	0	109.4	F212 L239 L240 K241 V275 M279 P284 L285 V287	F212-L277 HydrophobicContact CD2-CD1 3.84Å; F212-L277 HydrophobicContact CE2-CD1 4.21Å; F212-L277 HydrophobicContact CG-CD1 4.33Å; L239-L277 WeakPolarHBondContact O-CD2 3.27Å; L240-L277 HydrophobicContact CD2-CD1 4.42Å; K241-L277 HydrophobicContact CD-CD2 4.3Å; K241-L277 HydrophobicContact CG-CD2 4.44Å; V275-L277 HydrophobicContact CB-CD2 4.48Å; V275-L277 HydrophobicContact CG2-CD2 3.75Å; V275-L277 HydrophobicContact CG2-CG 4.18Å; L277-M279 HydrophobicContact CB-CG 4.43Å; L277-M279 HydrophobicContact CB-SD 4.09Å; L277-P284 CarbonylContact O-C 3.52Å; L277-P284 WeakPolarHBondContact O-CA 3.33Å; L277-L285 PolarHBondContact N-O 3.27Å; L277-L285 PolarHBondContact O-N 2.96Å; L277-V287 HydrophobicContact CD1-CB 4.35Å; L277-V287 HydrophobicContact CD1-CG2 3.7Å; L277-V287 HydrophobicContact CG-CG2 4.14Å
278	D	96.1	Very high	96	Very high	123 Å²	123	40.7 Å²	40.7	66%	0.658	26%	0.258	S	S	*	.			trans	-91.7	112.3	169	-175.3	0.6	0	0	0	108.2	G280	D278-G280 PolarHBondContact OD1-N 3.23Å
279	M	95.4	Very high	96.1	Very high	25 Å²	25	40.1 Å²	40.1	12%	0.123	26%	0.255	C	S	.	.			trans	-104.2	13.1	-179.8	-56.7	-55.1	-65.5	0	0	112	Y209 F212 H213 A216 H217 L277 A281	Y209-M279 HydrophobicContact CD2-CE 4.13Å; Y209-M279 HydrophobicContact CE2-CE 3.84Å; F212-M279 HydrophobicContact CB-CE 4Å; F212-M279 HydrophobicContact CB-SD 4.29Å; H213-M279 HydrophobicContact CB-CE 3.8Å; A216-M279 HydrophobicContact CB-CB 3.65Å; A216-M279 HydrophobicContact CB-CG 3.89Å; H217-M279 PolarHBondContact NE2-O 3.09Å; L277-M279 HydrophobicContact CB-CG 4.43Å; L277-M279 HydrophobicContact CB-SD 4.09Å; M279-A281 VanDerWaalsContact C-N 3.26Å; M279-A281 PolarHBondContact O-N 2.81Å
280	G	93.1	Very high	96.1	Very high	62 Å²	62	39.7 Å²	39.7	64%	0.639	25%	0.251	S	S	*	.	S	Bend	trans	77.1	6.4	-179	0	0	0	0	0	114.9	D278 G282	D278-G280 PolarHBondContact OD1-N 3.23Å; G280-G282 VanDerWaalsContact C-N 3.3Å; G280-G282 PolarHBondContact O-N 2.83Å
281	A	90.7	Very high	96.1	Very high	30 Å²	30	39.7 Å²	39.7	25%	0.248	25%	0.252	C	S	.	.	S	Bend	trans	-85.6	8.3	-179.6	0	0	0	0	0	114.3	A216 M279 R283	A216-A281 HydrophobicContact CB-CB 3.91Å; M279-A281 VanDerWaalsContact C-N 3.26Å; M279-A281 PolarHBondContact O-N 2.81Å; A281-R283 VanDerWaalsContact C-N 3.26Å; A281-R283 PolarHBondContact O-N 3.45Å
282	G	89.1	Confident	96.1	Very high	81 Å²	81	39.4 Å²	39.4	84%	0.835	25%	0.251	S	S	*	.	S	Bend	trans	79.6	-3.7	-179.7	0	0	0	0	0	115.6	G280	G280-G282 VanDerWaalsContact C-N 3.3Å; G280-G282 PolarHBondContact O-N 2.83Å
283	R	90.4	Very high	96.2	Very high	100 Å²	100	37 Å²	37	38%	0.377	24%	0.237	S	C	.	.	S	Bend	trans	-143.2	147.5	170.9	57.1	176.1	164.8	-174	-14.7	110.3	G219 A281	G219-R283 PolarHBondContact O-NH1 3.11Å; G219-R283 PolarHBondContact O-NH2 3.2Å; G219-R283 VanDerWaalsContact O-NH2 3.08Å; A281-R283 VanDerWaalsContact C-N 3.26Å; A281-R283 PolarHBondContact O-N 3.45Å
284	P	94.6	Very high	96.3	Very high	72 Å²	72	40.4 Å²	40.4	47%	0.468	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-71.2	147.3	176.2	30.4	-34.6	0	0	0	111.3	E276 L277	E276-P284 HydrophobicContact CB-CB 4.09Å; L277-P284 CarbonylContact O-C 3.52Å; L277-P284 WeakPolarHBondContact O-CA 3.33Å
285	L	98.3	Very high	96.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	118.3	171	-176.2	72.1	0	0	0	109.1	F212 A216 V220 V223 L277 V287	F212-L285 HydrophobicContact CB-CD2 3.87Å; F212-L285 HydrophobicContact CD1-CD2 4.24Å; F212-L285 HydrophobicContact CG-CD2 4.32Å; F212-L285 WeakPolarHBondContact O-CD2 3.46Å; A216-L285 HydrophobicContact CB-CB 4.29Å; A216-L285 HydrophobicContact CB-CD2 4.47Å; V220-L285 HydrophobicContact CB-CD1 4.24Å; V220-L285 HydrophobicContact CG1-CD1 3.94Å; V220-L285 VanDerWaalsContact O-CD1 3.27Å; V220-L285 WeakPolarHBondContact O-CD1 3.22Å; V223-L285 HydrophobicContact CG2-CD1 4.06Å; V223-L285 HydrophobicContact CG2-CD2 4.01Å; V223-L285 HydrophobicContact CG2-CG 4.27Å; L277-L285 PolarHBondContact N-O 3.27Å; L277-L285 PolarHBondContact O-N 2.96Å; L285-V287 HydrophobicContact CD2-CG2 3.89Å; L285-V287 HydrophobicContact CG-CG2 3.99Å; L285-V287 PolarHBondContact O-N 3.19Å
286	H	98.4	Very high	96.5	Very high	33 Å²	33	42.7 Å²	42.7	15%	0.153	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	120.8	172.6	-177.5	-109.2	0	0	0	109.6	T221 D222 V223 S274 E276	T221-H286 WeakPolarHBondContact O-CB 3.36Å; T221-H286 PolarHBondContact O-N 3.5Å; D222-H286 CarbonylContact C-O 3.58Å; D222-H286 VanDerWaalsContact CA-O 3.25Å; D222-H286 WeakPolarHBondContact CA-O 3.39Å; D222-H286 IonicContact OD1-ND1 2.8Å; V223-H286 PolarHBondContact N-O 2.97Å; S274-H286 PolarHBondContact OG-NE2 2.71Å; E276-H286 WeakPolarHBondContact OE1-CB 3.37Å; E276-H286 IonicContact OE1-CD2 3.34Å; E276-H286 PolarHBondContact OE1-CD2 3.17Å; E276-H286 IonicContact OE1-CG 3.4Å; E276-H286 WeakPolarHBondContact OE2-CA 3.48Å; E276-H286 PolarHBondContact OE2-N 2.95Å
287	V	98.8	Very high	96.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.1	176.7	-174.9	0	0	0	0	109.3	F212 V223 I225 L240 S274 V275 L277 L285	F212-V287 HydrophobicContact CD1-CG2 4.2Å; F212-V287 HydrophobicContact CE1-CG1 3.92Å; F212-V287 HydrophobicContact CE1-CG2 4.21Å; F212-V287 HydrophobicContact CZ-CG1 3.91Å; V223-V287 HydrophobicContact CB-CG1 4.48Å; V223-V287 HydrophobicContact CB-CG2 4.33Å; V223-V287 WeakPolarHBondContact O-CA 3.41Å; I225-V287 HydrophobicContact CD1-CG1 3.55Å; I225-V287 HydrophobicContact CG1-CG1 4.2Å; L240-V287 HydrophobicContact CD2-CB 4.17Å; L240-V287 HydrophobicContact CD2-CG1 3.62Å; S274-V287 CarbonylContact C-O 3.15Å; S274-V287 WeakPolarHBondContact CA-O 3.4Å; V275-V287 PolarHBondContact N-O 3.07Å; V275-V287 PolarHBondContact O-N 3.26Å; L277-V287 HydrophobicContact CD1-CB 4.35Å; L277-V287 HydrophobicContact CD1-CG2 3.7Å; L277-V287 HydrophobicContact CG-CG2 4.14Å; L285-V287 HydrophobicContact CD2-CG2 3.89Å; L285-V287 HydrophobicContact CG-CG2 3.99Å; L285-V287 PolarHBondContact O-N 3.19Å
288	T	98.4	Very high	96.7	Very high	7 Å²	7	38.1 Å²	38.1	4%	0.043	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	118.6	178.7	-179.3	0	0	0	0	111.4	V223 V224 I225 K306	V223-T288 PolarHBondContact O-N 3.4Å; V224-T288 WeakPolarHBondContact CA-O 3.41Å; V224-T288 HydrophobicContact CB-CG2 4.38Å; V224-T288 HydrophobicContact CG1-CG2 4.4Å; V224-T288 HydrophobicContact CG2-CG2 3.98Å; I225-T288 PolarHBondContact N-O 3.4Å; T288-K306 PolarHBondContact OG1-NZ 3.05Å
289	M	98.8	Very high	96.8	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.015	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	130.2	170.4	-176.3	-176.8	-74.7	0	0	109.6	I225 M227 R232 L235 L236 L240 T272 S273	I225-M289 HydrophobicContact CB-CB 4.34Å; I225-M289 HydrophobicContact CB-CG 4.45Å; I225-M289 HydrophobicContact CG2-CE 4.42Å; M227-M289 HydrophobicContact CB-CE 4.38Å; M227-M289 HydrophobicContact SD-CE 3.66Å; R232-M289 HydrophobicContact CG-CE 4.39Å; R232-M289 HydrophobicContact CG-SD 3.93Å; R232-M289 PolarHBondContact NH2-SD 2.78Å; L235-M289 HydrophobicContact CD2-CE 3.49Å; L235-M289 VanDerWaalsContact CD2-CE 3.49Å; L235-M289 HydrophobicContact CG-CE 4.04Å; L236-M289 HydrophobicContact CD2-CE 4.41Å; L236-M289 HydrophobicContact CD2-SD 3.88Å; L236-M289 HydrophobicContact CG-SD 4.21Å; L240-M289 HydrophobicContact CD1-CB 4.3Å; L240-M289 HydrophobicContact CD1-CE 3.71Å; T272-M289 WeakPolarHBondContact CB-O 3.44Å; S273-M289 PolarHBondContact O-N 3.19Å
290	L	98.5	Very high	97	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-79.5	150	177.2	-77.1	178.2	0	0	0	112.7	V224 I225 R232 T272 I299 V302 A303 K306 I658	V224-L290 HydrophobicContact CG1-CD1 4.47Å; V224-L290 HydrophobicContact CG1-CG 4.49Å; I225-L290 PolarHBondContact O-N 3.48Å; R232-L290 PolarHBondContact NH2-O 2.71Å; T272-L290 VanDerWaalsContact CG2-C 3.43Å; L290-I299 HydrophobicContact CB-CD1 3.79Å; L290-I299 HydrophobicContact CB-CG1 4.14Å; L290-I299 HydrophobicContact CD1-CD1 4.08Å; L290-V302 HydrophobicContact CD1-CB 4.36Å; L290-V302 HydrophobicContact CD1-CG1 3.87Å; L290-A303 VanDerWaalsContact CD1-CA 3.47Å; L290-A303 HydrophobicContact CD1-CB 3.95Å; L290-K306 HydrophobicContact CD1-CB 4.38Å; L290-K306 HydrophobicContact CD1-CD 4.32Å; L290-K306 HydrophobicContact CD2-CD 3.42Å; L290-K306 VanDerWaalsContact CD2-CD 3.42Å; L290-K306 HydrophobicContact CG-CD 4.08Å; L290-I658 HydrophobicContact CD2-CD1 3.92Å
291	P	98.1	Very high	97.2	Very high	11 Å²	11	28.3 Å²	28.3	7%	0.071	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-76	147.5	167.3	31.9	-31.3	0	0	0	108.9	T272 I299 W693 L695	T272-P291 HydrophobicContact CG2-CB 3.51Å; T272-P291 HydrophobicContact CG2-CG 4.13Å; P291-I299 WeakPolarHBondContact O-CD1 3.38Å; P291-W693 HydrophobicContact CB-CB 4.12Å; P291-W693 HydrophobicContact CB-CD2 3.47Å; P291-W693 VanDerWaalsContact CB-CD2 3.47Å; P291-W693 HydrophobicContact CB-CE3 4.03Å; P291-W693 HydrophobicContact CB-CG 3.51Å; P291-W693 HydrophobicContact CB-CZ2 4.28Å; P291-W693 HydrophobicContact CG-CB 3.91Å; P291-W693 HydrophobicContact CG-CD2 3.68Å; P291-W693 HydrophobicContact CG-CE3 3.8Å; P291-W693 HydrophobicContact CG-CG 3.74Å; P291-L695 HydrophobicContact CG-CD1 3.57Å
292	N	98.6	Very high	97.6	Very high	7 Å²	7	27 Å²	27	4%	0.037	16%	0.163	C	C	.	.			trans	-140.7	151.3	-176.8	57.6	-85.4	0	0	0	110.2	M227 R232 H270 I299	M227-N292 PolarHBondContact O-OD1 2.93Å; R232-N292 PolarHBondContact NH1-OD1 2.71Å; R232-N292 PolarHBondContact NH2-OD1 3.1Å; H270-N292 WeakPolarHBondContact CB-O 3.5Å; H270-N292 PolarHBondContact CD2-O 2.57Å; H270-N292 PolarHBondContact ND1-O 3.05Å; H270-N292 VanDerWaalsContact ND1-O 3.13Å; N292-I299 HydrophobicContact CB-CB 3.67Å; N292-I299 HydrophobicContact CB-CD1 3.86Å; N292-I299 HydrophobicContact CB-CG1 3.76Å; N292-I299 HydrophobicContact CB-CG2 4.21Å
293	P	98.6	Very high	98.1	Very high	5 Å²	5	23.1 Å²	23.1	3%	0.032	12%	0.123	C	C	.	.			trans	-73.6	176.2	166.5	37	-38.9	0	0	0	110.7	H295 A298 T684 F685	P293-H295 HydrophobicContact CG-CB 4.1Å; P293-H295 PolarHBondContact O-N 2.92Å; P293-A298 HydrophobicContact CG-CB 4.42Å; P293-T684 HydrophobicContact CB-CG2 3.97Å; P293-T684 HydrophobicContact CG-CG2 4.31Å; P293-T684 WeakPolarHBondContact CG-OG1 3.49Å; P293-F685 HydrophobicContact CG-CE2 3.9Å; P293-F685 HydrophobicContact CG-CZ 3.98Å
294	S	98.6	Very high	98.5	Very high	84 Å²	84	18.3 Å²	18.3	59%	0.587	11%	0.105	S	C	*	.	S	Bend	trans	-72.6	-11.4	171.9	-52.6	0	0	0	0	113.7	H270 L296	H270-S294 PolarHBondContact CE1-N 3.36Å; H270-S294 VanDerWaalsContact CE1-N 3.32Å; H270-S294 PolarHBondContact CE1-OG 3.17Å; H270-S294 PolarHBondContact NE2-N 3.22Å; H270-S294 PolarHBondContact NE2-OG 3.49Å; S294-L296 PolarHBondContact O-N 3.43Å
295	H	98.8	Very high	98.7	Very high	96 Å²	96	14.9 Å²	14.9	44%	0.444	8%	0.083	S	C	.	.	S	Bend	trans	-67.4	99.8	171.8	-62.3	76	0	0	0	108	P293 A298 I680	P293-H295 HydrophobicContact CG-CB 4.1Å; P293-H295 PolarHBondContact O-N 2.92Å; H295-A298 HydrophobicContact CB-CB 4.24Å; H295-A298 WeakPolarHBondContact O-CB 3.3Å; H295-A298 PolarHBondContact O-N 2.87Å; H295-I680 HydrophobicContact CB-CG2 3.85Å
296	L	98.8	Very high	98.7	Very high	53 Å²	53	16.4 Å²	16.4	28%	0.277	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	148.8	-173.3	-59.1	177.9	0	0	0	110.6	P228 S294 A298	P228-L296 HydrophobicContact CB-CD2 4.04Å; S294-L296 PolarHBondContact O-N 3.43Å; L296-A298 PolarHBondContact O-N 2.71Å
297	E	98.9	Very high	98.8	Very high	4 Å²	4	14.8 Å²	14.8	2%	0.019	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	66	-14.9	179.2	-43.3	-51.2	148.2	0	0	116.3	I299 N300 H337 S341 Q345 I347 V348	E297-I299 PolarHBondContact O-N 3.31Å; E297-N300 WeakPolarHBondContact O-CB 3.47Å; E297-N300 PolarHBondContact O-N 2.98Å; E297-N300 PolarHBondContact O-ND2 3.29Å; E297-N300 PolarHBondContact OE2-ND2 3.46Å; E297-H337 IonicContact OE2-CE1 3.65Å; E297-H337 IonicContact OE2-CG 3.7Å; E297-H337 IonicContact OE2-ND1 2.78Å; E297-H337 PolarHBondContact OE2-ND1 3.22Å; E297-S341 WeakPolarHBondContact OE1-CB 3.46Å; E297-S341 PolarHBondContact OE1-OG 2.8Å; E297-Q345 HydrophobicContact CB-CB 3.99Å; E297-Q345 HydrophobicContact CB-CG 4.28Å; E297-Q345 HydrophobicContact CG-CB 3.87Å; E297-Q345 HydrophobicContact CG-CG 3.9Å; E297-I347 HydrophobicContact CB-CG2 3.68Å; E297-V348 HydrophobicContact CB-CG2 3.57Å; E297-V348 HydrophobicContact CG-CG2 3.53Å
298	A	98.9	Very high	98.8	Very high	3 Å²	3	14.8 Å²	14.8	3%	0.025	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-20.8	177.4	0	0	0	0	0	113.5	P293 H295 L296 I680 F685	P293-A298 HydrophobicContact CG-CB 4.42Å; H295-A298 HydrophobicContact CB-CB 4.24Å; H295-A298 WeakPolarHBondContact O-CB 3.3Å; H295-A298 PolarHBondContact O-N 2.87Å; L296-A298 PolarHBondContact O-N 2.71Å; A298-I680 HydrophobicContact CB-CG2 3.86Å; A298-F685 HydrophobicContact CB-CE2 4.08Å
299	I	98.9	Very high	98.8	Very high	5 Å²	5	14.5 Å²	14.5	3%	0.026	8%	0.08	C	C	.	.	H	α-helix	trans	-78.6	-22.4	177.9	-166	60.7	0	0	0	114	L290 P291 N292 E297 V302 A303 F685	L290-I299 HydrophobicContact CB-CD1 3.79Å; L290-I299 HydrophobicContact CB-CG1 4.14Å; L290-I299 HydrophobicContact CD1-CD1 4.08Å; P291-I299 WeakPolarHBondContact O-CD1 3.38Å; N292-I299 HydrophobicContact CB-CB 3.67Å; N292-I299 HydrophobicContact CB-CD1 3.86Å; N292-I299 HydrophobicContact CB-CG1 3.76Å; N292-I299 HydrophobicContact CB-CG2 4.21Å; E297-I299 PolarHBondContact O-N 3.31Å; I299-V302 HydrophobicContact CD1-CB 4.09Å; I299-V302 HydrophobicContact CD1-CG1 4.32Å; I299-V302 WeakPolarHBondContact O-CB 3.34Å; I299-V302 PolarHBondContact O-N 3.37Å; I299-V302 VanDerWaalsContact O-N 3.15Å; I299-A303 PolarHBondContact O-N 2.82Å; I299-F685 HydrophobicContact CD1-CE1 3.79Å; I299-F685 HydrophobicContact CD1-CZ 3.94Å
300	N	98.9	Very high	98.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-58.5	-51.5	-171.7	-60.2	-10.5	0	0	0	112.9	E297 V302 A303 Q304 H337 T351	E297-N300 WeakPolarHBondContact O-CB 3.47Å; E297-N300 PolarHBondContact O-N 2.98Å; E297-N300 PolarHBondContact O-ND2 3.29Å; E297-N300 PolarHBondContact OE2-ND2 3.46Å; N300-V302 VanDerWaalsContact C-N 3.3Å; N300-V302 PolarHBondContact O-N 3.38Å; N300-A303 PolarHBondContact O-N 2.88Å; N300-Q304 PolarHBondContact O-N 3.26Å; N300-Q304 VanDerWaalsContact O-N 3.12Å; N300-H337 PolarHBondContact ND2-CE1 2.69Å; N300-H337 VanDerWaalsContact ND2-CE1 3.29Å; N300-H337 PolarHBondContact ND2-ND1 2.78Å; N300-T351 HydrophobicContact CB-CG2 4.28Å
301	P	98.9	Very high	98.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-68.7	-31.5	177.9	26.7	-34.2	0	0	0	112.1	A303 Q304 G305 I347 T351 A648 F652	P301-A303 VanDerWaalsContact C-N 3.32Å; P301-A303 PolarHBondContact O-N 2.75Å; P301-Q304 PolarHBondContact O-N 2.75Å; P301-G305 PolarHBondContact O-N 3.02Å; P301-I347 HydrophobicContact CG-CD1 3.59Å; P301-I347 HydrophobicContact CG-CG1 4.1Å; P301-T351 HydrophobicContact CB-CG2 4.39Å; P301-T351 WeakPolarHBondContact CD-OG1 3.35Å; P301-A648 HydrophobicContact CB-CB 4.07Å; P301-A648 WeakPolarHBondContact CB-O 3.08Å; P301-A648 HydrophobicContact CG-CB 4.32Å; P301-F652 HydrophobicContact CB-CB 4.5Å; P301-F652 VanDerWaalsContact O-CA 3.31Å; P301-F652 WeakPolarHBondContact O-CA 3.34Å
302	V	98.9	Very high	98.7	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.006	8%	0.083	C	C	.	.	H	α-helix	trans	-63.5	-40.1	175.3	-175.9	0	0	0	0	110.8	L290 I299 N300 G305 K306 G651 Y654 G655 I658 F685	L290-V302 HydrophobicContact CD1-CB 4.36Å; L290-V302 HydrophobicContact CD1-CG1 3.87Å; I299-V302 HydrophobicContact CD1-CB 4.09Å; I299-V302 HydrophobicContact CD1-CG1 4.32Å; I299-V302 WeakPolarHBondContact O-CB 3.34Å; I299-V302 PolarHBondContact O-N 3.37Å; I299-V302 VanDerWaalsContact O-N 3.15Å; N300-V302 VanDerWaalsContact C-N 3.3Å; N300-V302 PolarHBondContact O-N 3.38Å; V302-G305 PolarHBondContact O-N 3.02Å; V302-K306 WeakPolarHBondContact O-CB 3.21Å; V302-K306 PolarHBondContact O-N 3.11Å; V302-G651 VanDerWaalsContact CA-O 3.32Å; V302-G651 WeakPolarHBondContact CA-O 3.38Å; V302-G651 WeakPolarHBondContact CG2-O 3.36Å; V302-Y654 HydrophobicContact CG1-CD1 3.66Å; V302-Y654 HydrophobicContact CG1-CE1 4.17Å; V302-Y654 HydrophobicContact CG2-CD1 4.18Å; V302-G655 WeakPolarHBondContact O-CA 3.4Å; V302-I658 HydrophobicContact CG1-CD1 4.29Å; V302-F685 HydrophobicContact CG2-CD1 4.38Å; V302-F685 HydrophobicContact CG2-CE1 4.05Å; V302-F685 HydrophobicContact CG2-CE2 4.34Å; V302-F685 HydrophobicContact CG2-CZ 4Å
303	A	98.9	Very high	98.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.6	-48.5	174.3	0	0	0	0	0	111.4	V224 L290 I299 N300 P301 G305 K306 T307	V224-A303 HydrophobicContact CG1-CB 4.45Å; L290-A303 VanDerWaalsContact CD1-CA 3.47Å; L290-A303 HydrophobicContact CD1-CB 3.95Å; I299-A303 PolarHBondContact O-N 2.82Å; N300-A303 PolarHBondContact O-N 2.88Å; P301-A303 VanDerWaalsContact C-N 3.32Å; P301-A303 PolarHBondContact O-N 2.75Å; A303-G305 VanDerWaalsContact C-N 3.34Å; A303-G305 PolarHBondContact O-N 3.19Å; A303-K306 PolarHBondContact O-N 3.49Å; A303-T307 PolarHBondContact O-N 2.93Å; A303-T307 PolarHBondContact O-OG1 3.34Å; A303-T307 VanDerWaalsContact O-OG1 3.07Å
304	Q	98.8	Very high	98.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.9	-42.9	175	-75.9	-173.1	-7.3	0	0	112.4	N300 P301 K306 T307 R308 Q335 T351 V362 S365 F652	N300-Q304 PolarHBondContact O-N 3.26Å; N300-Q304 VanDerWaalsContact O-N 3.12Å; P301-Q304 PolarHBondContact O-N 2.75Å; Q304-K306 PolarHBondContact O-N 3.25Å; Q304-T307 WeakPolarHBondContact O-CB 3.39Å; Q304-T307 PolarHBondContact O-N 2.88Å; Q304-R308 WeakPolarHBondContact O-CB 3.31Å; Q304-R308 PolarHBondContact O-N 3.1Å; Q304-Q335 VanDerWaalsContact CG-NE2 3.32Å; Q304-Q335 VanDerWaalsContact NE2-NE2 3.16Å; Q304-T351 HydrophobicContact CG-CG2 4.37Å; Q304-T351 VanDerWaalsContact OE1-CG2 3.31Å; Q304-V362 HydrophobicContact CG-CG2 4.27Å; Q304-V362 WeakPolarHBondContact O-CG1 3.49Å; Q304-S365 PolarHBondContact NE2-OG 3.49Å; Q304-S365 VanDerWaalsContact NE2-OG 3.11Å; Q304-F652 HydrophobicContact CB-CD2 3.97Å; Q304-F652 HydrophobicContact CB-CE2 3.92Å
305	G	98.9	Very high	98.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60	-44.5	175.6	0	0	0	0	0	112.6	P301 V302 A303 R308 A309 F652	P301-G305 PolarHBondContact O-N 3.02Å; V302-G305 PolarHBondContact O-N 3.02Å; A303-G305 VanDerWaalsContact C-N 3.34Å; A303-G305 PolarHBondContact O-N 3.19Å; G305-R308 PolarHBondContact O-N 3.23Å; G305-A309 PolarHBondContact O-N 3.45Å; G305-F652 WeakPolarHBondContact CA-O 3.48Å
306	K	98.9	Very high	98.1	Very high	31 Å²	31	20.4 Å²	20.4	14%	0.135	9%	0.091	C	C	.	.	H	α-helix	trans	-65.7	-39	175.5	179.8	167.6	-178.1	-176.1	0	111.9	V224 T288 L290 V302 A303 Q304 A309 R310 G655 A659	V224-K306 HydrophobicContact CG1-CB 4.19Å; V224-K306 HydrophobicContact CG1-CD 4.24Å; V224-K306 HydrophobicContact CG1-CG 4.14Å; V224-K306 HydrophobicContact CG2-CG 4.49Å; T288-K306 PolarHBondContact OG1-NZ 3.05Å; L290-K306 HydrophobicContact CD1-CB 4.38Å; L290-K306 HydrophobicContact CD1-CD 4.32Å; L290-K306 HydrophobicContact CD2-CD 3.42Å; L290-K306 VanDerWaalsContact CD2-CD 3.42Å; L290-K306 HydrophobicContact CG-CD 4.08Å; V302-K306 WeakPolarHBondContact O-CB 3.21Å; V302-K306 PolarHBondContact O-N 3.11Å; A303-K306 PolarHBondContact O-N 3.49Å; Q304-K306 PolarHBondContact O-N 3.25Å; K306-A309 PolarHBondContact O-N 2.83Å; K306-R310 WeakPolarHBondContact O-CG 3.34Å; K306-R310 PolarHBondContact O-N 3.42Å; K306-G655 WeakPolarHBondContact CA-O 3.4Å; K306-A659 HydrophobicContact CG-CB 4.11Å
307	T	98.9	Very high	97.9	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-58.3	-50.2	172.6	-61.1	0	0	0	0	110.6	V224 A303 Q304 A309 R310 Q311 V331 C333 V362	V224-T307 VanDerWaalsContact CB-OG1 3.31Å; V224-T307 WeakPolarHBondContact CB-OG1 3.06Å; A303-T307 PolarHBondContact O-N 2.93Å; A303-T307 PolarHBondContact O-OG1 3.34Å; A303-T307 VanDerWaalsContact O-OG1 3.07Å; Q304-T307 WeakPolarHBondContact O-CB 3.39Å; Q304-T307 PolarHBondContact O-N 2.88Å; T307-A309 VanDerWaalsContact C-N 3.29Å; T307-A309 PolarHBondContact O-N 3.37Å; T307-R310 CarbonylContact O-C 3.57Å; T307-R310 WeakPolarHBondContact O-CA 3.24Å; T307-R310 WeakPolarHBondContact O-CB 3.32Å; T307-R310 PolarHBondContact O-N 2.68Å; T307-Q311 WeakPolarHBondContact O-CG 3.2Å; T307-Q311 PolarHBondContact O-N 2.92Å; T307-V331 HydrophobicContact CG2-CG1 3.78Å; T307-C333 HydrophobicContact CG2-CB 4.05Å; T307-C333 WeakPolarHBondContact OG1-CB 3.41Å; T307-V362 HydrophobicContact CG2-CB 3.83Å; T307-V362 HydrophobicContact CG2-CG1 3.94Å; T307-V362 HydrophobicContact CG2-CG2 4.44Å
308	R	98.8	Very high	97.7	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-58	-41.7	177.3	-174	74.1	179.8	179.1	3.1	112	G35 Q304 G305 R310 Q311 Q312 D318 Y319 R361 V362 E638 F652 M656	G35-R308 PolarHBondContact O-NH2 3.42Å; Q304-R308 WeakPolarHBondContact O-CB 3.31Å; Q304-R308 PolarHBondContact O-N 3.1Å; G305-R308 PolarHBondContact O-N 3.23Å; R308-R310 VanDerWaalsContact C-N 3.32Å; R308-R310 PolarHBondContact O-N 3.24Å; R308-Q311 WeakPolarHBondContact O-CB 3.37Å; R308-Q311 PolarHBondContact O-N 3.25Å; R308-Q312 PolarHBondContact O-N 3.03Å; R308-D318 IonicContact CZ-OD2 3.44Å; R308-D318 IonicContact NH1-OD2 2.9Å; R308-D318 PolarHBondContact NH1-OD2 3.38Å; R308-D318 IonicContact NH2-OD2 3.15Å; R308-Y319 HydrophobicContact CG-CE2 4.15Å; R308-Y319 PolarHBondContact NE-OH 2.66Å; R308-Y319 PolarHBondContact NH2-OH 2.55Å; R308-R361 WeakPolarHBondContact CD-O 3.43Å; R308-R361 PolarHBondContact NH1-O 3.45Å; R308-V362 HydrophobicContact CB-CG1 3.91Å; R308-E638 IonicContact NH2-OE1 2.74Å; R308-E638 PolarHBondContact NH2-OE1 2.7Å; R308-F652 HydrophobicContact CB-CE1 4.11Å; R308-F652 HydrophobicContact CB-CE2 4.36Å; R308-F652 HydrophobicContact CB-CZ 3.51Å; R308-F652 HydrophobicContact CG-CE1 4.14Å; R308-F652 HydrophobicContact CG-CZ 3.72Å; R308-M656 HydrophobicContact CB-SD 3.68Å; R308-M656 HydrophobicContact CG-CE 4.34Å; R308-M656 HydrophobicContact CG-SD 3.74Å
309	A	98.3	Very high	97.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-69.6	-25.6	175	0	0	0	0	0	113.7	G305 K306 T307 L313 M656 A659 Q660	G305-A309 PolarHBondContact O-N 3.45Å; K306-A309 PolarHBondContact O-N 2.83Å; T307-A309 VanDerWaalsContact C-N 3.29Å; T307-A309 PolarHBondContact O-N 3.37Å; A309-L313 WeakPolarHBondContact O-CG 3.25Å; A309-L313 PolarHBondContact O-N 2.98Å; A309-M656 HydrophobicContact CB-CE 4.12Å; A309-M656 HydrophobicContact CB-SD 3.64Å; A309-M656 PolarHBondContact N-SD 2.88Å; A309-M656 VanDerWaalsContact N-SD 3.37Å; A309-A659 HydrophobicContact CB-CB 3.43Å; A309-A659 VanDerWaalsContact CB-CB 3.43Å; A309-Q660 HydrophobicContact CB-CG 4.17Å; A309-Q660 PolarHBondContact O-NE2 3.42Å
310	R	98.2	Very high	97.4	Very high	29 Å²	29	18.7 Å²	18.7	11%	0.109	8%	0.081	C	C	.	.	H	α-helix	trans	-71.2	-41.6	167.2	-70.1	-61.3	71.6	141.6	13.2	111.7	V224 K306 T307 R308 Q312 L313 R314 V331 A659	V224-R310 HydrophobicContact CG2-CG 4.37Å; K306-R310 WeakPolarHBondContact O-CG 3.34Å; K306-R310 PolarHBondContact O-N 3.42Å; T307-R310 CarbonylContact O-C 3.57Å; T307-R310 WeakPolarHBondContact O-CA 3.24Å; T307-R310 WeakPolarHBondContact O-CB 3.32Å; T307-R310 PolarHBondContact O-N 2.68Å; R308-R310 VanDerWaalsContact C-N 3.32Å; R308-R310 PolarHBondContact O-N 3.24Å; R310-Q312 VanDerWaalsContact C-N 3.29Å; R310-Q312 PolarHBondContact O-N 2.98Å; R310-L313 VanDerWaalsContact CZ-CD1 3.43Å; R310-L313 PolarHBondContact O-N 3.25Å; R310-L313 VanDerWaalsContact O-N 3.08Å; R310-R314 WeakPolarHBondContact O-CG 3.36Å; R310-R314 PolarHBondContact O-N 3.46Å; R310-V331 HydrophobicContact CB-CB 4.25Å; R310-V331 HydrophobicContact CB-CG1 3.49Å; R310-V331 VanDerWaalsContact CB-CG1 3.49Å; R310-V331 HydrophobicContact CB-CG2 3.86Å; R310-V331 HydrophobicContact CG-CG1 4.28Å; R310-A659 PolarHBondContact NH1-O 2.9Å; R310-A659 VanDerWaalsContact NH2-C 3.32Å; R310-A659 PolarHBondContact NH2-O 3.09Å
311	Q	98.4	Very high	96.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-57	-43.8	174.3	-66.4	175.7	-11.6	0	0	111.5	T307 R308 L313 R314 K315 E316 Y319 G328 V331 V362	T307-Q311 WeakPolarHBondContact O-CG 3.2Å; T307-Q311 PolarHBondContact O-N 2.92Å; R308-Q311 WeakPolarHBondContact O-CB 3.37Å; R308-Q311 PolarHBondContact O-N 3.25Å; Q311-L313 PolarHBondContact O-N 3.24Å; Q311-R314 PolarHBondContact O-N 2.95Å; Q311-K315 PolarHBondContact O-N 2.87Å; Q311-E316 HydrophobicContact CB-CG 3.82Å; Q311-E316 HydrophobicContact CG-CG 4Å; Q311-E316 VanDerWaalsContact CG-OE1 3.31Å; Q311-E316 WeakPolarHBondContact CG-OE1 3.45Å; Q311-E316 PolarHBondContact O-N 3.27Å; Q311-Y319 HydrophobicContact CB-CD2 4.24Å; Q311-G328 VanDerWaalsContact NE2-N 3.16Å; Q311-V331 HydrophobicContact CG-CB 3.93Å; Q311-V331 HydrophobicContact CG-CG1 4.47Å; Q311-V331 HydrophobicContact CG-CG2 4.46Å; Q311-V331 PolarHBondContact NE2-O 3.46Å; Q311-V362 PolarHBondContact NE2-O 2.89Å
312	Q	97.9	Very high	96.4	Very high	8 Å²	8	29.7 Å²	29.7	4%	0.037	14%	0.141	C	C	.	.	H	α-helix	trans	-63.5	-40.8	175.5	-174.4	-178.1	31.8	0	0	112.8	Y34 R308 R310 K315 Y319	Y34-Q312 PolarHBondContact OH-NE2 2.92Å; R308-Q312 PolarHBondContact O-N 3.03Å; R310-Q312 VanDerWaalsContact C-N 3.29Å; R310-Q312 PolarHBondContact O-N 2.98Å; Q312-K315 PolarHBondContact O-N 2.94Å; Q312-Y319 VanDerWaalsContact CA-CD2 3.42Å; Q312-Y319 HydrophobicContact CB-CD1 4.08Å; Q312-Y319 HydrophobicContact CB-CD2 3.66Å; Q312-Y319 HydrophobicContact CB-CE1 4.12Å; Q312-Y319 HydrophobicContact CB-CE2 3.67Å; Q312-Y319 HydrophobicContact CB-CG 3.85Å; Q312-Y319 HydrophobicContact CG-CD1 3.82Å; Q312-Y319 HydrophobicContact CG-CD2 4.32Å; Q312-Y319 HydrophobicContact CG-CE1 3.94Å; Q312-Y319 HydrophobicContact CG-CE2 4.4Å; Q312-Y319 HydrophobicContact CG-CG 4.01Å
313	L	95.8	Very high	95.5	Very high	51 Å²	51	38.5 Å²	38.5	27%	0.267	18%	0.182	S	C	.	.	H	α-helix	trans	-71.1	-33.3	177.9	-76	-157.6	0	0	0	113.6	A309 R310 Q311 R514 Q660	A309-L313 WeakPolarHBondContact O-CG 3.25Å; A309-L313 PolarHBondContact O-N 2.98Å; R310-L313 VanDerWaalsContact CZ-CD1 3.43Å; R310-L313 PolarHBondContact O-N 3.25Å; R310-L313 VanDerWaalsContact O-N 3.08Å; Q311-L313 PolarHBondContact O-N 3.24Å; L313-R514 VanDerWaalsContact CD1-CZ 3.44Å; L313-Q660 HydrophobicContact CD1-CG 3.99Å; L313-Q660 HydrophobicContact CD2-CG 3.77Å; L313-Q660 HydrophobicContact CG-CG 3.7Å
314	R	95	Very high	94.8	Very high	94 Å²	94	41.2 Å²	41.2	36%	0.355	21%	0.21	S	C	.	.	H	α-helix	trans	-78	-10.5	174.2	-65.3	-68.7	-176.6	-147	-3.1	112.2	D222 R310 Q311 E316 V331	D222-R314 IonicContact OD1-CZ 2.75Å; D222-R314 IonicContact OD1-NE 3.55Å; D222-R314 IonicContact OD1-NH2 3.77Å; D222-R314 PolarHBondContact OD1-NH2 3.27Å; D222-R314 IonicContact OD2-CZ 3.45Å; D222-R314 IonicContact OD2-NE 3.48Å; D222-R314 PolarHBondContact OD2-NE 2.96Å; D222-R314 IonicContact OD2-NH2 2.65Å; D222-R314 PolarHBondContact OD2-NH2 3.35Å; D222-R314 VanDerWaalsContact OD2-NH2 3.15Å; R310-R314 WeakPolarHBondContact O-CG 3.36Å; R310-R314 PolarHBondContact O-N 3.46Å; Q311-R314 PolarHBondContact O-N 2.95Å; R314-E316 VanDerWaalsContact C-N 3.32Å; R314-E316 HydrophobicContact CB-CG 4.19Å; R314-V331 HydrophobicContact CB-CG2 4.49Å; R314-V331 HydrophobicContact CG-CG2 3.84Å
315	K	95.9	Very high	94.5	Very high	147 Å²	147	41.5 Å²	41.5	64%	0.639	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	52.5	-173.3	-56.7	178.5	-179.7	178.9	0	110.5	Q311 Q312 S320	Q311-K315 PolarHBondContact O-N 2.87Å; Q312-K315 PolarHBondContact O-N 2.94Å; K315-S320 WeakPolarHBondContact O-CA 3.48Å; K315-S320 WeakPolarHBondContact O-CB 3.45Å
316	E	94.1	Very high	94.2	Very high	3 Å²	3	46.5 Å²	46.5	1%	0.014	23%	0.232	C	C	.	.			trans	-114.6	170	176.9	66.6	159.1	149.6	0	0	112.1	Q311 R314 D318 Y319 S320 D329 Q330 V331	Q311-E316 HydrophobicContact CB-CG 3.82Å; Q311-E316 HydrophobicContact CG-CG 4Å; Q311-E316 VanDerWaalsContact CG-OE1 3.31Å; Q311-E316 WeakPolarHBondContact CG-OE1 3.45Å; Q311-E316 PolarHBondContact O-N 3.27Å; R314-E316 VanDerWaalsContact C-N 3.32Å; R314-E316 HydrophobicContact CB-CG 4.19Å; E316-D318 PolarHBondContact O-N 3.5Å; E316-Y319 PolarHBondContact O-N 2.74Å; E316-S320 PolarHBondContact O-N 3.09Å; E316-D329 WeakPolarHBondContact OE2-CA 3.44Å; E316-D329 WeakPolarHBondContact OE2-CB 3.37Å; E316-D329 PolarHBondContact OE2-N 2.85Å; E316-Q330 PolarHBondContact OE2-N 3.17Å; E316-V331 WeakPolarHBondContact OE1-CA 3.39Å; E316-V331 WeakPolarHBondContact OE1-CB 3.5Å; E316-V331 WeakPolarHBondContact OE1-CG2 3.33Å; E316-V331 PolarHBondContact OE1-N 3.45Å
317	G	94.4	Very high	94.1	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.01	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	51.7	-124.2	179.2	0	0	0	0	0	113.5	Y319 S320 Y326	G317-Y319 PolarHBondContact O-N 2.62Å; G317-Y319 VanDerWaalsContact O-N 3.12Å; G317-S320 WeakPolarHBondContact O-CB 3.49Å; G317-S320 PolarHBondContact O-N 3.3Å; G317-Y326 VanDerWaalsContact CA-O 3.31Å; G317-Y326 WeakPolarHBondContact CA-O 3.27Å
318	D	95.4	Very high	93.9	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.027	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-62	-18	179.2	-77.3	-41.3	0	0	0	114.2	R37 R308 E316 P327 R361	R37-D318 PolarHBondContact N-OD1 2.73Å; R308-D318 IonicContact CZ-OD2 3.44Å; R308-D318 IonicContact NH1-OD2 2.9Å; R308-D318 PolarHBondContact NH1-OD2 3.38Å; R308-D318 IonicContact NH2-OD2 3.15Å; E316-D318 PolarHBondContact O-N 3.5Å; D318-P327 WeakPolarHBondContact OD2-CG 3.45Å; D318-R361 IonicContact OD1-CZ 2.67Å; D318-R361 IonicContact OD1-NE 2.79Å; D318-R361 IonicContact OD1-NH2 3.75Å; D318-R361 PolarHBondContact OD1-NH2 3.48Å; D318-R361 IonicContact OD2-CZ 3.21Å; D318-R361 IonicContact OD2-NE 3.81Å; D318-R361 PolarHBondContact OD2-NE 3.38Å; D318-R361 IonicContact OD2-NH2 2.82Å
319	Y	96.3	Very high	93.8	Very high	16 Å²	16	47.3 Å²	47.3	6%	0.063	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-103.2	-4.7	177.8	-55	-75	0	0	0	113.2	Y34 R308 Q311 Q312 E316 G317 E638	Y34-Y319 HydrophobicContact CE1-CD1 4.08Å; Y34-Y319 AromaticContact CE1-CE1 4Å; Y34-Y319 HydrophobicContact CE1-CE1 4Å; Y34-Y319 HydrophobicContact CE2-CD1 4.33Å; Y34-Y319 AromaticContact CZ-CD1 3.82Å; R308-Y319 HydrophobicContact CG-CE2 4.15Å; R308-Y319 PolarHBondContact NE-OH 2.66Å; R308-Y319 PolarHBondContact NH2-OH 2.55Å; Q311-Y319 HydrophobicContact CB-CD2 4.24Å; Q312-Y319 VanDerWaalsContact CA-CD2 3.42Å; Q312-Y319 HydrophobicContact CB-CD1 4.08Å; Q312-Y319 HydrophobicContact CB-CD2 3.66Å; Q312-Y319 HydrophobicContact CB-CE1 4.12Å; Q312-Y319 HydrophobicContact CB-CE2 3.67Å; Q312-Y319 HydrophobicContact CB-CG 3.85Å; Q312-Y319 HydrophobicContact CG-CD1 3.82Å; Q312-Y319 HydrophobicContact CG-CD2 4.32Å; Q312-Y319 HydrophobicContact CG-CE1 3.94Å; Q312-Y319 HydrophobicContact CG-CE2 4.4Å; Q312-Y319 HydrophobicContact CG-CG 4.01Å; E316-Y319 PolarHBondContact O-N 2.74Å; G317-Y319 PolarHBondContact O-N 2.62Å; G317-Y319 VanDerWaalsContact O-N 3.12Å; Y319-E638 VanDerWaalsContact OH-CD 3.24Å; Y319-E638 PolarHBondContact OH-OE1 3.48Å; Y319-E638 PolarHBondContact OH-OE2 3.15Å
320	S	94.8	Very high	93.8	Very high	6 Å²	6	50.8 Å²	50.8	4%	0.042	26%	0.255	C	S	.	.			trans	-68.3	146.6	172.6	-177.1	0	0	0	0	110.3	R37 K315 E316 G317 E322	R37-S320 PolarHBondContact NE-O 3.36Å; R37-S320 VanDerWaalsContact NE-O 3.13Å; R37-S320 PolarHBondContact NH1-O 3.34Å; R37-S320 PolarHBondContact NH2-O 2.91Å; K315-S320 WeakPolarHBondContact O-CA 3.48Å; K315-S320 WeakPolarHBondContact O-CB 3.45Å; E316-S320 PolarHBondContact O-N 3.09Å; G317-S320 WeakPolarHBondContact O-CB 3.49Å; G317-S320 PolarHBondContact O-N 3.3Å; S320-E322 VanDerWaalsContact C-N 3.27Å; S320-E322 WeakPolarHBondContact OG-CB 3.5Å; S320-E322 PolarHBondContact OG-N 3.27Å
321	P	89.1	Confident	93.8	Very high	99 Å²	99	49.4 Å²	49.4	64%	0.643	25%	0.249	S	C	*	.	S	Bend	trans	-71	-22.1	164.8	29.5	-33.3	0	0	0	112.7	R37	R37-P321 PolarHBondContact NH1-O 2.92Å; R37-P321 PolarHBondContact NH2-O 3.22Å
322	E	89	Confident	93.8	Very high	133 Å²	133	49.5 Å²	49.5	62%	0.621	25%	0.25	S	C	*	.	S	Bend	trans	-76.2	139.5	-171.3	-59	174.7	-176.5	0	0	113.3	R37 S320 G324 A325	R37-E322 PolarHBondContact NH1-O 2.95Å; S320-E322 VanDerWaalsContact C-N 3.27Å; S320-E322 WeakPolarHBondContact OG-CB 3.5Å; S320-E322 PolarHBondContact OG-N 3.27Å; E322-G324 VanDerWaalsContact C-N 3.34Å; E322-G324 PolarHBondContact O-N 3.16Å; E322-A325 HydrophobicContact CB-CB 4.34Å
323	E	80.3	Confident	93.9	Very high	186 Å²	186	49.1 Å²	49.1	87%	0.869	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-30.1	-178.2	-68	-173.3	168.4	0	0	113
324	G	83.9	Confident	94	Very high	56 Å²	56	46.7 Å²	46.7	58%	0.577	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-18.2	-179.2	0	0	0	0	0	115.2	K39 E322 Y326	K39-G324 PolarHBondContact NZ-O 2.82Å; K39-G324 VanDerWaalsContact NZ-O 3.1Å; E322-G324 VanDerWaalsContact C-N 3.34Å; E322-G324 PolarHBondContact O-N 3.16Å; G324-Y326 WeakPolarHBondContact O-CD2 3.15Å; G324-Y326 VanDerWaalsContact O-CE2 3.27Å; G324-Y326 WeakPolarHBondContact O-CE2 2.8Å
325	A	91.4	Very high	94.2	Very high	7 Å²	7	42.4 Å²	42.4	6%	0.058	22%	0.219	C	C	.	.			trans	-68.3	134.1	-168.4	0	0	0	0	0	113.4	K39 E322 D329	K39-A325 WeakPolarHBondContact CE-O 3.44Å; K39-A325 VanDerWaalsContact NZ-C 3.28Å; K39-A325 PolarHBondContact NZ-O 2.67Å; E322-A325 HydrophobicContact CB-CB 4.34Å; A325-D329 WeakPolarHBondContact CA-OD2 3.49Å
326	Y	92.8	Very high	94.3	Very high	105 Å²	105	35.4 Å²	35.4	41%	0.412	19%	0.189	S	C	.	.			trans	-111.8	144	176.3	-73.7	-91	0	0	0	110.7	K39 G317 G324 G328 D329	K39-Y326 HydrophobicContact CD-CD1 3.98Å; K39-Y326 HydrophobicContact CD-CE1 3.35Å; K39-Y326 HydrophobicContact CD-CE2 4.44Å; K39-Y326 VanDerWaalsContact NZ-CD1 3.28Å; G317-Y326 VanDerWaalsContact CA-O 3.31Å; G317-Y326 WeakPolarHBondContact CA-O 3.27Å; G324-Y326 WeakPolarHBondContact O-CD2 3.15Å; G324-Y326 VanDerWaalsContact O-CE2 3.27Å; G324-Y326 WeakPolarHBondContact O-CE2 2.8Å; Y326-G328 PolarHBondContact O-N 3.36Å; Y326-D329 PolarHBondContact N-OD2 3.49Å; Y326-D329 PolarHBondContact O-N 3.06Å; Y326-D329 VanDerWaalsContact O-OD2 3.07Å
327	P	96.4	Very high	94.6	Very high	6 Å²	6	35.3 Å²	35.3	4%	0.039	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49	136.1	165.5	-27.2	36.3	0	0	0	110	D318 R361 G363 R426	D318-P327 WeakPolarHBondContact OD2-CG 3.45Å; P327-R361 HydrophobicContact CG-CG 4.24Å; P327-G363 WeakPolarHBondContact O-CA 3.09Å; P327-R426 PolarHBondContact O-NH1 3.41Å
328	G	96.4	Very high	94.8	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	3.9	-179	0	0	0	0	0	115.9	Q311 Y326 Q330 V331 V362 R423 R426	Q311-G328 VanDerWaalsContact NE2-N 3.16Å; Y326-G328 PolarHBondContact O-N 3.36Å; G328-Q330 VanDerWaalsContact C-N 3.27Å; G328-Q330 PolarHBondContact O-N 2.93Å; G328-V331 WeakPolarHBondContact CA-O 3.45Å; G328-V362 WeakPolarHBondContact CA-O 3.35Å; G328-V362 PolarHBondContact N-O 3.14Å; G328-R423 PolarHBondContact O-NH1 3.09Å; G328-R423 PolarHBondContact O-NH2 2.93Å; G328-R426 PolarHBondContact O-NH1 2.95Å
329	D	96	Very high	94.9	Very high	42 Å²	42	36 Å²	36	23%	0.225	20%	0.195	C	C	.	.	S	Bend	trans	-57.4	-42.3	-178	-76.2	-24	0	0	0	111.9	E316 A325 Y326 R423 R426	E316-D329 WeakPolarHBondContact OE2-CA 3.44Å; E316-D329 WeakPolarHBondContact OE2-CB 3.37Å; E316-D329 PolarHBondContact OE2-N 2.85Å; A325-D329 WeakPolarHBondContact CA-OD2 3.49Å; Y326-D329 PolarHBondContact N-OD2 3.49Å; Y326-D329 PolarHBondContact O-N 3.06Å; Y326-D329 VanDerWaalsContact O-OD2 3.07Å; D329-R423 PolarHBondContact O-NH1 3.13Å; D329-R426 VanDerWaalsContact CA-NH1 3.31Å; D329-R426 IonicContact OD1-CZ 3.11Å; D329-R426 IonicContact OD1-NH1 2.95Å; D329-R426 PolarHBondContact OD1-NH1 3.22Å; D329-R426 IonicContact OD1-NH2 3.78Å; D329-R426 PolarHBondContact OD1-NH2 3.31Å
330	Q	97.4	Very high	95	Very high	73 Å²	73	36.4 Å²	36.4	34%	0.341	21%	0.205	S	C	.	.	S	Bend	trans	-122.5	-28.5	-174.7	-62.2	-179.6	46.9	0	0	113.1	V220 T221 D222 E316 G328	V220-Q330 CarbonylContact C-O 3.35Å; V220-Q330 WeakPolarHBondContact CA-O 3.47Å; V220-Q330 WeakPolarHBondContact CG1-O 3.5Å; T221-Q330 HydrophobicContact CG2-CB 4.49Å; T221-Q330 PolarHBondContact N-O 3.1Å; T221-Q330 PolarHBondContact OG1-O 2.85Å; D222-Q330 PolarHBondContact N-O 3.29Å; D222-Q330 VanDerWaalsContact N-O 3.07Å; E316-Q330 PolarHBondContact OE2-N 3.17Å; G328-Q330 VanDerWaalsContact C-N 3.27Å; G328-Q330 PolarHBondContact O-N 2.93Å
331	V	98.7	Very high	95.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	119	-179	-176.4	0	0	0	0	110.4	D222 V224 T307 R310 Q311 R314 E316 G328	D222-V331 HydrophobicContact CB-CB 4.17Å; D222-V331 HydrophobicContact CB-CG1 3.88Å; D222-V331 HydrophobicContact CB-CG2 3.82Å; D222-V331 WeakPolarHBondContact O-CA 3.22Å; V224-V331 HydrophobicContact CG2-CG1 4.43Å; T307-V331 HydrophobicContact CG2-CG1 3.78Å; R310-V331 HydrophobicContact CB-CB 4.25Å; R310-V331 HydrophobicContact CB-CG1 3.49Å; R310-V331 VanDerWaalsContact CB-CG1 3.49Å; R310-V331 HydrophobicContact CB-CG2 3.86Å; R310-V331 HydrophobicContact CG-CG1 4.28Å; Q311-V331 HydrophobicContact CG-CB 3.93Å; Q311-V331 HydrophobicContact CG-CG1 4.47Å; Q311-V331 HydrophobicContact CG-CG2 4.46Å; Q311-V331 PolarHBondContact NE2-O 3.46Å; R314-V331 HydrophobicContact CB-CG2 4.49Å; R314-V331 HydrophobicContact CG-CG2 3.84Å; E316-V331 WeakPolarHBondContact OE1-CA 3.39Å; E316-V331 WeakPolarHBondContact OE1-CB 3.5Å; E316-V331 WeakPolarHBondContact OE1-CG2 3.33Å; E316-V331 PolarHBondContact OE1-N 3.45Å; G328-V331 WeakPolarHBondContact CA-O 3.45Å
332	I	98.8	Very high	95.6	Very high	1 Å²	1	32 Å²	32	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	164.9	178.4	68.3	175.1	0	0	0	113	S215 V220 D222 V223 V224 I366	S215-I332 WeakPolarHBondContact OG-CD1 3.46Å; V220-I332 HydrophobicContact CG1-CD1 4.29Å; V220-I332 HydrophobicContact CG1-CG1 3.98Å; V220-I332 HydrophobicContact CG1-CG2 4.32Å; V220-I332 HydrophobicContact CG2-CD1 4.5Å; V220-I332 HydrophobicContact CG2-CG2 4.07Å; D222-I332 PolarHBondContact O-N 2.99Å; V223-I332 HydrophobicContact CB-CG1 4.39Å; V223-I332 HydrophobicContact CG1-CG1 4.26Å; V223-I332 HydrophobicContact CG2-CD1 4.09Å; V223-I332 HydrophobicContact CG2-CG1 3.88Å; V224-I332 PolarHBondContact N-O 2.81Å; I332-I366 HydrophobicContact CD1-CD1 4.38Å
333	C	98.9	Very high	96.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.9	176.7	-175.3	0	0	0	0	110	V224 T307 V362 S365 I366	V224-C333 WeakPolarHBondContact O-CA 2.94Å; T307-C333 HydrophobicContact CG2-CB 4.05Å; T307-C333 WeakPolarHBondContact OG1-CB 3.41Å; C333-V362 HydrophobicContact CB-CG2 4.24Å; C333-S365 WeakPolarHBondContact CB-OG 3.33Å; C333-S365 WeakPolarHBondContact O-CA 3.23Å; C333-S365 PolarHBondContact SG-OG 3.31Å; C333-I366 PolarHBondContact O-N 3.47Å
334	L	98.9	Very high	96.9	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125.9	169	170.9	59.9	0	0	0	109	F207 F208 L211 V223 V224 I225 G226 V336 I366	F207-L334 HydrophobicContact CE1-CD1 3.86Å; F207-L334 HydrophobicContact CE1-CD2 4.31Å; F207-L334 HydrophobicContact CZ-CD1 3.82Å; F208-L334 HydrophobicContact CD1-CD2 3.97Å; F208-L334 HydrophobicContact CE1-CD2 4Å; L211-L334 HydrophobicContact CD1-CD1 3.97Å; L211-L334 HydrophobicContact CD1-CD2 4.25Å; L211-L334 HydrophobicContact CD2-CD2 4.31Å; V223-L334 HydrophobicContact CG1-CB 4.21Å; V224-L334 PolarHBondContact O-N 3.1Å; I225-L334 WeakPolarHBondContact CA-O 3.2Å; I225-L334 HydrophobicContact CD1-CD2 4.18Å; I225-L334 HydrophobicContact CG1-CB 4.28Å; I225-L334 HydrophobicContact CG1-CD2 4.14Å; I225-L334 HydrophobicContact CG2-CD2 4.24Å; I225-L334 HydrophobicContact CG2-CG 4.3Å; G226-L334 PolarHBondContact N-O 3.2Å; L334-V336 HydrophobicContact CD1-CG2 4.41Å; L334-V336 HydrophobicContact CG-CG2 4.25Å; L334-I366 WeakPolarHBondContact CA-O 3.46Å; L334-I366 HydrophobicContact CD1-CB 4.48Å; L334-I366 HydrophobicContact CD1-CG2 4.41Å; L334-I366 WeakPolarHBondContact CD1-O 3.38Å
335	Q	98.9	Very high	97.6	Very high	3 Å²	3	21.9 Å²	21.9	1%	0.014	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.9	172.9	-59.1	-177	13.4	0	0	109.6	Q304 H337 S365 I366 H367 L368	Q304-Q335 VanDerWaalsContact CG-NE2 3.32Å; Q304-Q335 VanDerWaalsContact NE2-NE2 3.16Å; Q335-H337 VanDerWaalsContact CB-NE2 3.33Å; Q335-H337 WeakPolarHBondContact CB-NE2 3.22Å; Q335-H337 PolarHBondContact OE1-CE1 2.87Å; Q335-S365 PolarHBondContact NE2-OG 2.93Å; Q335-I366 PolarHBondContact N-O 2.65Å; Q335-H367 CarbonylContact O-C 3.6Å; Q335-H367 VanDerWaalsContact O-CA 3.27Å; Q335-H367 WeakPolarHBondContact O-CA 3.19Å; Q335-H367 PolarHBondContact OE1-CE1 3.36Å; Q335-H367 PolarHBondContact OE1-ND1 3.05Å; Q335-L368 PolarHBondContact O-N 2.91Å
336	V	98.9	Very high	98	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	139.3	177.2	-175.1	0	0	0	0	108.1	F208 G226 M227 P228 L334 L368 V370	F208-V336 HydrophobicContact CE1-CG2 3.77Å; F208-V336 HydrophobicContact CZ-CG2 4Å; G226-V336 PolarHBondContact O-N 2.68Å; M227-V336 HydrophobicContact CB-CB 4.01Å; M227-V336 HydrophobicContact CB-CG2 4.21Å; M227-V336 HydrophobicContact CE-CG1 4.33Å; M227-V336 HydrophobicContact CG-CB 3.81Å; M227-V336 HydrophobicContact CG-CG1 4.06Å; M227-V336 HydrophobicContact CG-CG2 4.15Å; M227-V336 HydrophobicContact SD-CG2 4.41Å; P228-V336 WeakPolarHBondContact CD-O 3.34Å; L334-V336 HydrophobicContact CD1-CG2 4.41Å; L334-V336 HydrophobicContact CG-CG2 4.25Å; V336-L368 CarbonylContact C-O 3.1Å; V336-L368 VanDerWaalsContact CA-O 3.3Å; V336-L368 WeakPolarHBondContact CA-O 3.4Å; V336-L368 HydrophobicContact CG1-CB 4.49Å; V336-L368 HydrophobicContact CG1-CD2 4.18Å; V336-L368 HydrophobicContact CG1-CG 4.49Å; V336-L368 HydrophobicContact CG2-CB 4.42Å; V336-V370 HydrophobicContact CG1-CG2 4.01Å
337	H	98.9	Very high	98.3	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	158.8	-171.7	-48.1	-78.6	0	0	0	111.6	E297 N300 Q335 F342 H367 L368 I369 V370	E297-H337 IonicContact OE2-CE1 3.65Å; E297-H337 IonicContact OE2-CG 3.7Å; E297-H337 IonicContact OE2-ND1 2.78Å; E297-H337 PolarHBondContact OE2-ND1 3.22Å; N300-H337 PolarHBondContact ND2-CE1 2.69Å; N300-H337 VanDerWaalsContact ND2-CE1 3.29Å; N300-H337 PolarHBondContact ND2-ND1 2.78Å; Q335-H337 VanDerWaalsContact CB-NE2 3.33Å; Q335-H337 WeakPolarHBondContact CB-NE2 3.22Å; Q335-H337 PolarHBondContact OE1-CE1 2.87Å; H337-F342 HydrophobicContact CB-CB 4.05Å; H337-F342 HydrophobicContact CB-CD2 3.82Å; H337-F342 HydrophobicContact CB-CG 4.3Å; H337-F342 AromaticContact CD2-CD2 3.68Å; H337-F342 AromaticContact CD2-CE2 3.8Å; H337-F342 AromaticContact CE1-CD2 3.98Å; H337-F342 AromaticContact CG-CD2 3.45Å; H337-F342 VanDerWaalsContact CG-CD2 3.45Å; H337-F342 AromaticContact ND1-CD2 3.67Å; H337-F342 AromaticContact NE2-CE2 3.81Å; H337-H367 AromaticContact CE1-ND1 3.84Å; H337-H367 AromaticContact NE2-CG 3.78Å; H337-H367 AromaticContact NE2-ND1 2.98Å; H337-H367 PolarHBondContact NE2-ND1 3.23Å; H337-L368 PolarHBondContact N-O 2.93Å; H337-I369 HydrophobicContact CB-CG1 4.32Å; H337-V370 PolarHBondContact O-N 3.34Å
338	G	98.8	Very high	98.4	Very high	15 Å²	15	18.7 Å²	18.7	16%	0.155	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	150.2	159.5	0	0	0	0	0	110.3	G340 S341 F342	G338-G340 PolarHBondContact O-N 3.18Å; G338-S341 PolarHBondContact O-N 2.86Å; G338-S341 PolarHBondContact O-OG 2.73Å; G338-F342 VanDerWaalsContact O-CB 3.3Å; G338-F342 WeakPolarHBondContact O-CB 3.34Å; G338-F342 PolarHBondContact O-N 2.97Å
339	D	98.6	Very high	98.5	Very high	5 Å²	5	20.5 Å²	20.5	3%	0.027	14%	0.14	C	C	.	.	H	α-helix	trans	-57.5	-46.8	-177.5	53.1	-66.3	0	0	0	113.2	T343 I369 N371 N372 V374 C389	D339-T343 PolarHBondContact O-N 3.45Å; D339-T343 PolarHBondContact O-OG1 2.72Å; D339-I369 HydrophobicContact CB-CG2 4.28Å; D339-N371 HydrophobicContact CB-CB 4.04Å; D339-N371 WeakPolarHBondContact CB-OD1 3.33Å; D339-N372 PolarHBondContact OD1-N 2.71Å; D339-V374 PolarHBondContact OD2-N 3.23Å; D339-C389 HydrophobicContact CB-CB 4.12Å
340	G	97.7	Very high	98.7	Very high	25 Å²	25	21 Å²	21	26%	0.258	14%	0.142	S	C	.	.	H	α-helix	trans	-71.6	-32	-178.5	0	0	0	0	0	114.3	G338 T343 G344	G338-G340 PolarHBondContact O-N 3.18Å; G340-T343 PolarHBondContact O-OG1 2.95Å; G340-G344 PolarHBondContact O-N 2.84Å
341	S	98.6	Very high	98.7	Very high	12 Å²	12	17.6 Å²	17.6	8%	0.084	13%	0.126	C	C	.	.	H	α-helix	trans	-80.6	-35.7	179.3	53.7	0	0	0	0	112.2	E297 G338 T343 G344 Q345	E297-S341 WeakPolarHBondContact OE1-CB 3.46Å; E297-S341 PolarHBondContact OE1-OG 2.8Å; G338-S341 PolarHBondContact O-N 2.86Å; G338-S341 PolarHBondContact O-OG 2.73Å; S341-T343 VanDerWaalsContact C-N 3.26Å; S341-T343 PolarHBondContact O-N 3.49Å; S341-G344 PolarHBondContact O-N 2.93Å; S341-Q345 WeakPolarHBondContact O-CB 3.47Å; S341-Q345 WeakPolarHBondContact O-CG 3.46Å; S341-Q345 PolarHBondContact O-N 2.92Å
342	F	98.8	Very high	98.7	Very high	1 Å²	1	17.7 Å²	17.7	0%	0.004	13%	0.126	C	C	.	.	H	α-helix	trans	-57.6	-39.6	175.7	-170.4	-101.6	0	0	0	112.2	H337 G338 V348 I369 C389 V392 I430	H337-F342 HydrophobicContact CB-CB 4.05Å; H337-F342 HydrophobicContact CB-CD2 3.82Å; H337-F342 HydrophobicContact CB-CG 4.3Å; H337-F342 AromaticContact CD2-CD2 3.68Å; H337-F342 AromaticContact CD2-CE2 3.8Å; H337-F342 AromaticContact CE1-CD2 3.98Å; H337-F342 AromaticContact CG-CD2 3.45Å; H337-F342 VanDerWaalsContact CG-CD2 3.45Å; H337-F342 AromaticContact ND1-CD2 3.67Å; H337-F342 AromaticContact NE2-CE2 3.81Å; G338-F342 VanDerWaalsContact O-CB 3.3Å; G338-F342 WeakPolarHBondContact O-CB 3.34Å; G338-F342 PolarHBondContact O-N 2.97Å; F342-V348 HydrophobicContact CD2-CG1 3.69Å; F342-V348 HydrophobicContact CD2-CG2 4.49Å; F342-V348 HydrophobicContact CE2-CG1 3.55Å; F342-V348 HydrophobicContact CG-CG1 4.31Å; F342-V348 HydrophobicContact CZ-CG1 4.05Å; F342-I369 HydrophobicContact CD1-CD1 3.52Å; F342-I369 HydrophobicContact CD1-CG1 4.38Å; F342-I369 HydrophobicContact CD2-CD1 4.3Å; F342-I369 HydrophobicContact CD2-CG1 4.36Å; F342-I369 HydrophobicContact CE1-CD1 3.59Å; F342-I369 HydrophobicContact CE2-CD1 4.36Å; F342-I369 HydrophobicContact CG-CD1 3.89Å; F342-I369 HydrophobicContact CG-CG1 4.26Å; F342-I369 HydrophobicContact CZ-CD1 4.02Å; F342-C389 VanDerWaalsContact CD1-O 3.23Å; F342-C389 WeakPolarHBondContact CD1-O 3.33Å; F342-C389 WeakPolarHBondContact CE1-O 3.02Å; F342-V392 HydrophobicContact CD1-CB 4.24Å; F342-V392 HydrophobicContact CD1-CG2 4.1Å; F342-V392 HydrophobicContact CE1-CB 3.73Å; F342-V392 HydrophobicContact CE1-CG2 4.09Å; F342-V392 HydrophobicContact CZ-CB 4.38Å; F342-I430 HydrophobicContact CE1-CD1 4.33Å; F342-I430 HydrophobicContact CZ-CD1 3.85Å; F342-I430 HydrophobicContact CZ-CG1 4.44Å
343	T	98.4	Very high	98.7	Very high	35 Å²	35	20.3 Å²	20.3	22%	0.215	14%	0.142	C	C	.	.	H	α-helix	trans	-85.9	-24	178.5	58.2	0	0	0	0	114.3	D339 G340 S341 G383 R384 C389 V392	D339-T343 PolarHBondContact O-N 3.45Å; D339-T343 PolarHBondContact O-OG1 2.72Å; G340-T343 PolarHBondContact O-OG1 2.95Å; S341-T343 VanDerWaalsContact C-N 3.26Å; S341-T343 PolarHBondContact O-N 3.49Å; T343-G383 PolarHBondContact OG1-O 2.67Å; T343-R384 HydrophobicContact CG2-CB 3.99Å; T343-C389 HydrophobicContact CG2-CB 3.89Å; T343-C389 WeakPolarHBondContact CG2-O 3Å; T343-V392 HydrophobicContact CG2-CG2 4.1Å
344	G	98.2	Very high	98.7	Very high	49 Å²	49	20.3 Å²	20.3	51%	0.505	14%	0.142	S	C	.	.	H	α-helix	trans	-96.6	-24.2	-171.2	0	0	0	0	0	115.6	G340 S341	G340-G344 PolarHBondContact O-N 2.84Å; S341-G344 PolarHBondContact O-N 2.93Å
345	Q	98.8	Very high	98.7	Very high	79 Å²	79	20.3 Å²	20.3	37%	0.369	14%	0.142	S	C	.	.			trans	-96.8	120	-174.7	-62.7	-59.9	-61.5	0	0	111.7	E297 S341 I347 V348 P349	E297-Q345 HydrophobicContact CB-CB 3.99Å; E297-Q345 HydrophobicContact CB-CG 4.28Å; E297-Q345 HydrophobicContact CG-CB 3.87Å; E297-Q345 HydrophobicContact CG-CG 3.9Å; S341-Q345 WeakPolarHBondContact O-CB 3.47Å; S341-Q345 WeakPolarHBondContact O-CG 3.46Å; S341-Q345 PolarHBondContact O-N 2.92Å; Q345-I347 HydrophobicContact CB-CG2 4.37Å; Q345-I347 PolarHBondContact O-N 3.34Å; Q345-I347 VanDerWaalsContact O-N 3.16Å; Q345-V348 HydrophobicContact CB-CG2 4.39Å; Q345-V348 WeakPolarHBondContact O-CB 3.23Å; Q345-V348 PolarHBondContact O-N 3.18Å; Q345-V348 VanDerWaalsContact O-N 3.09Å; Q345-P349 WeakPolarHBondContact O-CD 3.48Å
346	G	98.8	Very high	98.5	Very high	44 Å²	44	23.5 Å²	23.5	45%	0.454	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-23	-179	0	0	0	0	0	114.8	V348 P349 E350	G346-V348 PolarHBondContact O-N 2.98Å; G346-P349 WeakPolarHBondContact O-CD 3.42Å; G346-P349 WeakPolarHBondContact O-CG 3.16Å; G346-E350 WeakPolarHBondContact O-CG 3.45Å; G346-E350 PolarHBondContact O-N 3.49Å
347	I	98.9	Very high	98.4	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.015	17%	0.174	C	C	.	.	H	α-helix	trans	-66.1	-21.9	176.1	-153.8	-179.2	0	0	0	113.1	E297 P301 Q345 T351 E647 A648 I681	E297-I347 HydrophobicContact CB-CG2 3.68Å; P301-I347 HydrophobicContact CG-CD1 3.59Å; P301-I347 HydrophobicContact CG-CG1 4.1Å; Q345-I347 HydrophobicContact CB-CG2 4.37Å; Q345-I347 PolarHBondContact O-N 3.34Å; Q345-I347 VanDerWaalsContact O-N 3.16Å; I347-T351 WeakPolarHBondContact O-CB 3.4Å; I347-T351 PolarHBondContact O-N 3.15Å; I347-T351 PolarHBondContact O-OG1 3.12Å; I347-E647 HydrophobicContact CD1-CG 3.69Å; I347-E647 HydrophobicContact CG1-CB 4.42Å; I347-E647 HydrophobicContact CG1-CG 3.97Å; I347-A648 HydrophobicContact CG1-CB 4.06Å; I347-I681 HydrophobicContact CD1-CD1 4.36Å
348	V	98.9	Very high	98.2	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.018	19%	0.187	C	C	.	.	H	α-helix	trans	-65.4	-59	175.6	177	0	0	0	0	111.1	E297 F342 Q345 G346 E350 T351 L352 V392	E297-V348 HydrophobicContact CB-CG2 3.57Å; E297-V348 HydrophobicContact CG-CG2 3.53Å; F342-V348 HydrophobicContact CD2-CG1 3.69Å; F342-V348 HydrophobicContact CD2-CG2 4.49Å; F342-V348 HydrophobicContact CE2-CG1 3.55Å; F342-V348 HydrophobicContact CG-CG1 4.31Å; F342-V348 HydrophobicContact CZ-CG1 4.05Å; Q345-V348 HydrophobicContact CB-CG2 4.39Å; Q345-V348 WeakPolarHBondContact O-CB 3.23Å; Q345-V348 PolarHBondContact O-N 3.18Å; Q345-V348 VanDerWaalsContact O-N 3.09Å; G346-V348 PolarHBondContact O-N 2.98Å; V348-E350 VanDerWaalsContact C-N 3.28Å; V348-E350 PolarHBondContact O-N 2.79Å; V348-T351 PolarHBondContact O-N 2.93Å; V348-T351 VanDerWaalsContact O-N 3.1Å; V348-L352 HydrophobicContact CG1-CD1 4.27Å; V348-L352 PolarHBondContact O-N 3.33Å; V348-V392 HydrophobicContact CG1-CG1 4.09Å
349	P	98.9	Very high	98.2	Very high	38 Å²	38	28.6 Å²	28.6	25%	0.247	18%	0.184	C	C	.	.	H	α-helix	trans	-63.3	-30.4	175.6	22.9	-32.5	0	0	0	113.5	Q345 G346 L352 T353 V392 M395	Q345-P349 WeakPolarHBondContact O-CD 3.48Å; G346-P349 WeakPolarHBondContact O-CD 3.42Å; G346-P349 WeakPolarHBondContact O-CG 3.16Å; P349-L352 PolarHBondContact O-N 3.17Å; P349-T353 PolarHBondContact O-N 3.03Å; P349-T353 PolarHBondContact O-OG1 2.99Å; P349-V392 HydrophobicContact CB-CG1 4.16Å; P349-V392 HydrophobicContact CG-CG1 4.44Å; P349-M395 VanDerWaalsContact CA-SD 3.6Å; P349-M395 HydrophobicContact CB-CE 4.2Å; P349-M395 HydrophobicContact CB-SD 3.27Å; P349-M395 WeakPolarHBondContact CB-SD 3.36Å
350	E	98.9	Very high	98.2	Very high	54 Å²	54	28.4 Å²	28.4	25%	0.252	18%	0.184	S	C	.	.	H	α-helix	trans	-61.9	-44.1	170.4	-72.5	-170	-164.5	0	0	111.8	G346 V348 T353 L354 S645 A648	G346-E350 WeakPolarHBondContact O-CG 3.45Å; G346-E350 PolarHBondContact O-N 3.49Å; V348-E350 VanDerWaalsContact C-N 3.28Å; V348-E350 PolarHBondContact O-N 2.79Å; E350-T353 VanDerWaalsContact O-CB 3.29Å; E350-T353 WeakPolarHBondContact O-CB 3.3Å; E350-T353 PolarHBondContact O-N 2.91Å; E350-L354 PolarHBondContact O-N 3.23Å; E350-S645 WeakPolarHBondContact OE2-CB 3.5Å; E350-S645 PolarHBondContact OE2-OG 3.36Å; E350-A648 HydrophobicContact CB-CB 3.5Å; E350-A648 PolarHBondContact OE2-N 3.08Å
351	T	98.9	Very high	98.2	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	18%	0.181	C	C	.	.	H	α-helix	trans	-66.2	-40.9	177.4	-56.5	0	0	0	0	111.6	N300 P301 Q304 I347 V348 T353 L354 S355	N300-T351 HydrophobicContact CB-CG2 4.28Å; P301-T351 HydrophobicContact CB-CG2 4.39Å; P301-T351 WeakPolarHBondContact CD-OG1 3.35Å; Q304-T351 HydrophobicContact CG-CG2 4.37Å; Q304-T351 VanDerWaalsContact OE1-CG2 3.31Å; I347-T351 WeakPolarHBondContact O-CB 3.4Å; I347-T351 PolarHBondContact O-N 3.15Å; I347-T351 PolarHBondContact O-OG1 3.12Å; V348-T351 PolarHBondContact O-N 2.93Å; V348-T351 VanDerWaalsContact O-N 3.1Å; T351-T353 PolarHBondContact O-N 3.17Å; T351-L354 WeakPolarHBondContact O-CB 3.32Å; T351-L354 PolarHBondContact O-N 2.84Å; T351-S355 PolarHBondContact O-N 2.83Å
352	L	98.8	Very high	98.2	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-60.7	-35.2	173.4	-72.2	167.9	0	0	0	111.8	V348 P349 L354 S355 V392 M395 V396 D428	V348-L352 HydrophobicContact CG1-CD1 4.27Å; V348-L352 PolarHBondContact O-N 3.33Å; P349-L352 PolarHBondContact O-N 3.17Å; L352-L354 PolarHBondContact O-N 3.42Å; L352-S355 VanDerWaalsContact O-CB 3.24Å; L352-S355 WeakPolarHBondContact O-CB 3.4Å; L352-S355 PolarHBondContact O-N 2.81Å; L352-S355 VanDerWaalsContact O-N 3.16Å; L352-S355 PolarHBondContact O-OG 2.75Å; L352-V392 HydrophobicContact CD1-CG1 3.92Å; L352-M395 HydrophobicContact CB-SD 4.33Å; L352-V396 HydrophobicContact CB-CG1 4.31Å; L352-V396 HydrophobicContact CB-CG2 4.19Å; L352-V396 HydrophobicContact CD2-CG2 4.18Å; L352-V396 WeakPolarHBondContact O-CG1 3.29Å; L352-D428 WeakPolarHBondContact CD2-OD2 3.21Å
353	T	98.8	Very high	98.1	Very high	55 Å²	55	29.3 Å²	29.3	34%	0.337	18%	0.179	S	C	.	.	H	α-helix	trans	-60.7	-32.5	174	-59.8	0	0	0	0	112	P349 E350 T351 L357 M395 P643	P349-T353 PolarHBondContact O-N 3.03Å; P349-T353 PolarHBondContact O-OG1 2.99Å; E350-T353 VanDerWaalsContact O-CB 3.29Å; E350-T353 WeakPolarHBondContact O-CB 3.3Å; E350-T353 PolarHBondContact O-N 2.91Å; T351-T353 PolarHBondContact O-N 3.17Å; T353-L357 HydrophobicContact CG2-CD1 4.47Å; T353-L357 WeakPolarHBondContact O-CD1 3.41Å; T353-L357 WeakPolarHBondContact O-CG 3.48Å; T353-M395 VanDerWaalsContact OG1-CE 3.29Å; T353-M395 WeakPolarHBondContact OG1-CE 3.49Å; T353-P643 HydrophobicContact CG2-CB 4.42Å
354	L	98.8	Very high	98	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-74	-23.8	177.9	-57.8	-180	0	0	0	113.7	E350 T351 L352 N356 L357 Y360 P643 A648 V649 F652	E350-L354 PolarHBondContact O-N 3.23Å; T351-L354 WeakPolarHBondContact O-CB 3.32Å; T351-L354 PolarHBondContact O-N 2.84Å; L352-L354 PolarHBondContact O-N 3.42Å; L354-N356 PolarHBondContact O-N 2.76Å; L354-L357 HydrophobicContact CD2-CD1 4.34Å; L354-L357 PolarHBondContact O-N 2.84Å; L354-L357 VanDerWaalsContact O-N 3.1Å; L354-Y360 HydrophobicContact CD1-CD1 4.39Å; L354-Y360 HydrophobicContact CD2-CD1 4.08Å; L354-Y360 HydrophobicContact CD2-CD2 4.35Å; L354-Y360 HydrophobicContact CD2-CE1 4.49Å; L354-Y360 HydrophobicContact CD2-CG 4.01Å; L354-P643 HydrophobicContact CD2-CG 3.54Å; L354-A648 HydrophobicContact CD1-CB 4.04Å; L354-V649 HydrophobicContact CD2-CG2 4.1Å; L354-F652 HydrophobicContact CD1-CB 4.39Å; L354-F652 HydrophobicContact CD1-CD2 4.23Å
355	S	97.6	Very high	98.1	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.014	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-38.9	-168.5	61.8	0	0	0	0	114.9	T351 L352 R361 D428	T351-S355 PolarHBondContact O-N 2.83Å; L352-S355 VanDerWaalsContact O-CB 3.24Å; L352-S355 WeakPolarHBondContact O-CB 3.4Å; L352-S355 PolarHBondContact O-N 2.81Å; L352-S355 VanDerWaalsContact O-N 3.16Å; L352-S355 PolarHBondContact O-OG 2.75Å; S355-R361 VanDerWaalsContact O-CA 3.29Å; S355-R361 WeakPolarHBondContact O-CA 3.46Å; S355-R361 WeakPolarHBondContact O-CB 3.26Å; S355-D428 WeakPolarHBondContact CB-OD1 3.29Å; S355-D428 WeakPolarHBondContact CB-OD2 3.37Å
356	N	95.8	Very high	98.1	Very high	70 Å²	70	21.6 Å²	21.6	37%	0.374	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-2.3	-174.7	-69.9	-45.8	0	0	0	113.7	L354	L354-N356 PolarHBondContact O-N 2.76Å
357	L	96.5	Very high	98.1	Very high	57 Å²	57	19.7 Å²	19.7	30%	0.298	11%	0.106	S	C	.	.	S	Bend	trans	-75.9	141.1	-176.2	-68.7	179.4	0	0	0	111.7	T353 L354 Y360 R361 P643	T353-L357 HydrophobicContact CG2-CD1 4.47Å; T353-L357 WeakPolarHBondContact O-CD1 3.41Å; T353-L357 WeakPolarHBondContact O-CG 3.48Å; L354-L357 HydrophobicContact CD2-CD1 4.34Å; L354-L357 PolarHBondContact O-N 2.84Å; L354-L357 VanDerWaalsContact O-N 3.1Å; L357-Y360 HydrophobicContact CB-CD2 4.19Å; L357-Y360 PolarHBondContact O-N 3.18Å; L357-R361 WeakPolarHBondContact O-CB 3.44Å; L357-R361 WeakPolarHBondContact O-CG 3.36Å; L357-R361 PolarHBondContact O-N 3.11Å; L357-P643 HydrophobicContact CD1-CB 3.97Å; L357-P643 HydrophobicContact CD1-CG 3.68Å
358	P	95.1	Very high	98.1	Very high	45 Å²	45	19.5 Å²	19.5	29%	0.292	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	145.8	165.3	-28.4	37.2	0	0	0	111.6	Y36 Y360	Y36-P358 HydrophobicContact CD1-CB 4.18Å; Y36-P358 HydrophobicContact CD1-CG 4.42Å; Y36-P358 HydrophobicContact CD2-CB 3.56Å; Y36-P358 HydrophobicContact CD2-CG 3.85Å; Y36-P358 HydrophobicContact CE1-CB 4.5Å; Y36-P358 HydrophobicContact CE1-CG 4.25Å; Y36-P358 HydrophobicContact CE2-CB 3.94Å; Y36-P358 HydrophobicContact CE2-CG 3.66Å; Y36-P358 HydrophobicContact CG-CB 3.69Å; Y36-P358 HydrophobicContact CG-CG 4.23Å; P358-Y360 VanDerWaalsContact O-CD2 3.3Å; P358-Y360 WeakPolarHBondContact O-CD2 3.35Å; P358-Y360 PolarHBondContact O-N 3.48Å
359	H	97.8	Very high	98.1	Very high	20 Å²	20	19.4 Å²	19.4	9%	0.093	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	-12.6	-179.4	-47.3	-67.3	0	0	0	116.9	G35 R596 E638 C640	G35-H359 PolarHBondContact O-ND1 3.41Å; H359-R596 PolarHBondContact O-NH1 3.07Å; H359-R596 PolarHBondContact O-NH2 3.02Å; H359-R596 VanDerWaalsContact O-NH2 3.14Å; H359-E638 IonicContact CG-OE1 3.95Å; H359-E638 IonicContact ND1-OE1 2.97Å; H359-E638 PolarHBondContact ND1-OE1 3.32Å; H359-E638 VanDerWaalsContact ND1-OE1 3.08Å; H359-C640 HydrophobicContact CB-CB 3.94Å
360	Y	98.7	Very high	98.1	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.008	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-33.9	177.4	-60.9	-83.4	0	0	0	113.1	L354 L357 P358 V362 S598 C640 S642 V649 F652	L354-Y360 HydrophobicContact CD1-CD1 4.39Å; L354-Y360 HydrophobicContact CD2-CD1 4.08Å; L354-Y360 HydrophobicContact CD2-CD2 4.35Å; L354-Y360 HydrophobicContact CD2-CE1 4.49Å; L354-Y360 HydrophobicContact CD2-CG 4.01Å; L357-Y360 HydrophobicContact CB-CD2 4.19Å; L357-Y360 PolarHBondContact O-N 3.18Å; P358-Y360 VanDerWaalsContact O-CD2 3.3Å; P358-Y360 WeakPolarHBondContact O-CD2 3.35Å; P358-Y360 PolarHBondContact O-N 3.48Å; Y360-V362 PolarHBondContact O-N 2.75Å; Y360-S598 PolarHBondContact OH-OG 3.5Å; Y360-C640 HydrophobicContact CE2-CB 4.37Å; Y360-S642 WeakPolarHBondContact OH-CA 3.39Å; Y360-S642 WeakPolarHBondContact OH-CB 3.44Å; Y360-V649 HydrophobicContact CE1-CG1 4.29Å; Y360-F652 AromaticContact CD1-CD1 3.81Å; Y360-F652 HydrophobicContact CD1-CD1 3.81Å; Y360-F652 HydrophobicContact CD1-CD2 4.08Å; Y360-F652 AromaticContact CD1-CE1 3.88Å; Y360-F652 HydrophobicContact CD1-CE1 3.88Å; Y360-F652 HydrophobicContact CD1-CE2 4.12Å; Y360-F652 AromaticContact CD1-CG 3.92Å; Y360-F652 HydrophobicContact CD1-CG 3.92Å; Y360-F652 HydrophobicContact CD1-CZ 4.02Å; Y360-F652 HydrophobicContact CE1-CD1 4.15Å; Y360-F652 HydrophobicContact CE1-CE1 4.47Å; Y360-F652 HydrophobicContact CE1-CG 4.42Å; Y360-F652 VanDerWaalsContact O-CE2 3.29Å; Y360-F652 WeakPolarHBondContact O-CE2 3.21Å; Y360-F652 WeakPolarHBondContact O-CZ 3.1Å
361	R	98.1	Very high	98.1	Very high	52 Å²	52	15.4 Å²	15.4	20%	0.196	8%	0.083	C	C	.	.			trans	-52.5	135.7	-178.1	67.1	-177	-176.4	-178.2	0.3	112.5	R37 R308 D318 P327 S355 L357	R37-R361 PolarHBondContact O-NH2 2.87Å; R308-R361 WeakPolarHBondContact CD-O 3.43Å; R308-R361 PolarHBondContact NH1-O 3.45Å; D318-R361 IonicContact OD1-CZ 2.67Å; D318-R361 IonicContact OD1-NE 2.79Å; D318-R361 IonicContact OD1-NH2 3.75Å; D318-R361 PolarHBondContact OD1-NH2 3.48Å; D318-R361 IonicContact OD2-CZ 3.21Å; D318-R361 IonicContact OD2-NE 3.81Å; D318-R361 PolarHBondContact OD2-NE 3.38Å; D318-R361 IonicContact OD2-NH2 2.82Å; P327-R361 HydrophobicContact CG-CG 4.24Å; S355-R361 VanDerWaalsContact O-CA 3.29Å; S355-R361 WeakPolarHBondContact O-CA 3.46Å; S355-R361 WeakPolarHBondContact O-CB 3.26Å; L357-R361 WeakPolarHBondContact O-CB 3.44Å; L357-R361 WeakPolarHBondContact O-CG 3.36Å; L357-R361 PolarHBondContact O-N 3.11Å
362	V	98.3	Very high	98.1	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.006	9%	0.085	C	C	.	.			trans	-114.1	7.2	175.8	-64.2	0	0	0	0	112.7	Q304 T307 R308 Q311 G328 C333 Y360	Q304-V362 HydrophobicContact CG-CG2 4.27Å; Q304-V362 WeakPolarHBondContact O-CG1 3.49Å; T307-V362 HydrophobicContact CG2-CB 3.83Å; T307-V362 HydrophobicContact CG2-CG1 3.94Å; T307-V362 HydrophobicContact CG2-CG2 4.44Å; R308-V362 HydrophobicContact CB-CG1 3.91Å; Q311-V362 PolarHBondContact NE2-O 2.89Å; G328-V362 WeakPolarHBondContact CA-O 3.35Å; G328-V362 PolarHBondContact N-O 3.14Å; C333-V362 HydrophobicContact CB-CG2 4.24Å; Y360-V362 PolarHBondContact O-N 2.75Å
363	G	97	Very high	98.1	Very high	4 Å²	4	16.8 Å²	16.8	4%	0.041	9%	0.09	C	C	.	.	S	Bend	trans	83.6	33.3	179.6	0	0	0	0	0	113.8	P327 Q422 R426	P327-G363 WeakPolarHBondContact O-CA 3.09Å; G363-Q422 PolarHBondContact O-NE2 3.05Å; G363-R426 CarbonylContact C-O 3.4Å; G363-R426 CarbonylContact O-C 3.59Å; G363-R426 VanDerWaalsContact O-C 3.3Å; G363-R426 WeakPolarHBondContact O-CA 3.32Å
364	G	97.6	Very high	98	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.075	C	C	.	.			trans	89	116.4	179	0	0	0	0	0	113.2	Q422 R426 R427 D428	G364-Q422 WeakPolarHBondContact O-CG 3.42Å; G364-Q422 PolarHBondContact O-NE2 3.12Å; G364-R426 PolarHBondContact N-O 2.69Å; G364-R427 WeakPolarHBondContact CA-O 3.23Å; G364-D428 VanDerWaalsContact CA-OD1 3.25Å; G364-D428 WeakPolarHBondContact CA-OD1 3.29Å
365	S	98.9	Very high	97.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	139.7	166.2	-80.9	0	0	0	0	110.4	Q304 C333 Q335 H367 D428 V429	Q304-S365 PolarHBondContact NE2-OG 3.49Å; Q304-S365 VanDerWaalsContact NE2-OG 3.11Å; C333-S365 WeakPolarHBondContact CB-OG 3.33Å; C333-S365 WeakPolarHBondContact O-CA 3.23Å; C333-S365 PolarHBondContact SG-OG 3.31Å; Q335-S365 PolarHBondContact NE2-OG 2.93Å; S365-H367 VanDerWaalsContact CB-NE2 3.3Å; S365-H367 WeakPolarHBondContact CB-NE2 3.19Å; S365-H367 PolarHBondContact O-CD2 3.44Å; S365-H367 VanDerWaalsContact O-CD2 3.27Å; S365-D428 PolarHBondContact N-OD1 2.77Å; S365-D428 VanDerWaalsContact O-CA 3.26Å; S365-D428 WeakPolarHBondContact O-CA 3.19Å; S365-V429 PolarHBondContact O-N 3.34Å; S365-V429 VanDerWaalsContact O-N 3.11Å
366	I	98.9	Very high	98	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	126.6	166.5	-58	176.7	0	0	0	106.9	F207 L211 I332 C333 L334 Q335 A418 V419 Q422 V429	F207-I366 HydrophobicContact CE2-CG2 4.47Å; F207-I366 HydrophobicContact CZ-CG2 4.17Å; L211-I366 HydrophobicContact CD1-CB 4.31Å; L211-I366 HydrophobicContact CD1-CD1 4.01Å; L211-I366 HydrophobicContact CD1-CG2 3.88Å; I332-I366 HydrophobicContact CD1-CD1 4.38Å; C333-I366 PolarHBondContact O-N 3.47Å; L334-I366 WeakPolarHBondContact CA-O 3.46Å; L334-I366 HydrophobicContact CD1-CB 4.48Å; L334-I366 HydrophobicContact CD1-CG2 4.41Å; L334-I366 WeakPolarHBondContact CD1-O 3.38Å; Q335-I366 PolarHBondContact N-O 2.65Å; I366-A418 HydrophobicContact CG2-CB 4.45Å; I366-V419 HydrophobicContact CD1-CG2 3.92Å; I366-Q422 HydrophobicContact CD1-CB 4.28Å; I366-Q422 HydrophobicContact CD1-CG 4.35Å; I366-Q422 HydrophobicContact CG1-CB 3.99Å; I366-Q422 HydrophobicContact CG1-CG 3.82Å; I366-V429 HydrophobicContact CB-CG1 4.41Å; I366-V429 HydrophobicContact CG1-CG1 4.07Å; I366-V429 HydrophobicContact CG2-CG1 4.33Å
367	H	98.9	Very high	98.1	Very high	3 Å²	3	20.3 Å²	20.3	1%	0.014	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.1	-178.5	-58.7	-98.8	0	0	0	110.5	Q335 H337 S365 D428 V429 I430 L431	Q335-H367 CarbonylContact O-C 3.6Å; Q335-H367 VanDerWaalsContact O-CA 3.27Å; Q335-H367 WeakPolarHBondContact O-CA 3.19Å; Q335-H367 PolarHBondContact OE1-CE1 3.36Å; Q335-H367 PolarHBondContact OE1-ND1 3.05Å; H337-H367 AromaticContact CE1-ND1 3.84Å; H337-H367 AromaticContact NE2-CG 3.78Å; H337-H367 AromaticContact NE2-ND1 2.98Å; H337-H367 PolarHBondContact NE2-ND1 3.23Å; S365-H367 VanDerWaalsContact CB-NE2 3.3Å; S365-H367 WeakPolarHBondContact CB-NE2 3.19Å; S365-H367 PolarHBondContact O-CD2 3.44Å; S365-H367 VanDerWaalsContact O-CD2 3.27Å; H367-D428 IonicContact NE2-OD2 3.89Å; H367-D428 PolarHBondContact NE2-OD2 3.3Å; H367-V429 PolarHBondContact CD2-O 3.32Å; H367-V429 PolarHBondContact N-O 3.21Å; H367-I430 HydrophobicContact CB-CB 4.37Å; H367-I430 HydrophobicContact CB-CG1 3.83Å; H367-L431 PolarHBondContact O-N 3.02Å
368	L	98.9	Very high	98.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	116.6	167.2	175.7	68.5	0	0	0	108.7	M204 F207 F208 Q335 V336 H337 V370 L431 L433	M204-L368 HydrophobicContact CB-CD2 4.25Å; F207-L368 HydrophobicContact CD1-CB 4.4Å; F207-L368 HydrophobicContact CD1-CD1 4.28Å; F207-L368 HydrophobicContact CD1-CD2 3.62Å; F207-L368 HydrophobicContact CD1-CG 4.31Å; F207-L368 HydrophobicContact CD2-CD1 4.22Å; F207-L368 HydrophobicContact CE1-CB 3.8Å; F207-L368 HydrophobicContact CE1-CD1 4.42Å; F207-L368 HydrophobicContact CE1-CD2 3.79Å; F207-L368 HydrophobicContact CE1-CG 4.2Å; F207-L368 HydrophobicContact CE2-CB 4.45Å; F207-L368 HydrophobicContact CE2-CD1 4.37Å; F207-L368 HydrophobicContact CG-CD1 4.19Å; F207-L368 HydrophobicContact CG-CD2 4.25Å; F207-L368 HydrophobicContact CZ-CB 3.83Å; F207-L368 HydrophobicContact CZ-CD1 4.46Å; F207-L368 HydrophobicContact CZ-CG 4.49Å; F208-L368 HydrophobicContact CE1-CD2 3.95Å; F208-L368 HydrophobicContact CE2-CD2 4.44Å; F208-L368 HydrophobicContact CZ-CD2 3.71Å; Q335-L368 PolarHBondContact O-N 2.91Å; V336-L368 CarbonylContact C-O 3.1Å; V336-L368 VanDerWaalsContact CA-O 3.3Å; V336-L368 WeakPolarHBondContact CA-O 3.4Å; V336-L368 HydrophobicContact CG1-CB 4.49Å; V336-L368 HydrophobicContact CG1-CD2 4.18Å; V336-L368 HydrophobicContact CG1-CG 4.49Å; V336-L368 HydrophobicContact CG2-CB 4.42Å; H337-L368 PolarHBondContact N-O 2.93Å; L368-V370 HydrophobicContact CD2-CG2 4.07Å; L368-V370 HydrophobicContact CG-CG2 4.23Å; L368-L431 HydrophobicContact CD1-CD2 3.81Å; L368-L433 HydrophobicContact CD1-CB 3.84Å; L368-L433 HydrophobicContact CD1-CD2 4.24Å
369	I	98.9	Very high	98.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	114.6	168.7	-51.2	173.7	0	0	0	107.8	H337 D339 F342 N371 I430 L431 L433	H337-I369 HydrophobicContact CB-CG1 4.32Å; D339-I369 HydrophobicContact CB-CG2 4.28Å; F342-I369 HydrophobicContact CD1-CD1 3.52Å; F342-I369 HydrophobicContact CD1-CG1 4.38Å; F342-I369 HydrophobicContact CD2-CD1 4.3Å; F342-I369 HydrophobicContact CD2-CG1 4.36Å; F342-I369 HydrophobicContact CE1-CD1 3.59Å; F342-I369 HydrophobicContact CE2-CD1 4.36Å; F342-I369 HydrophobicContact CG-CD1 3.89Å; F342-I369 HydrophobicContact CG-CG1 4.26Å; F342-I369 HydrophobicContact CZ-CD1 4.02Å; I369-N371 VanDerWaalsContact C-N 3.28Å; I369-N371 HydrophobicContact CG2-CB 4.25Å; I369-N371 PolarHBondContact O-N 2.87Å; I369-I430 HydrophobicContact CD1-CG2 3.58Å; I369-I430 HydrophobicContact CG1-CG2 4.02Å; I369-L431 PolarHBondContact N-O 2.73Å; I369-L433 WeakPolarHBondContact O-CB 3.42Å; I369-L433 PolarHBondContact O-N 3.38Å
370	V	98.9	Very high	98.1	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	81.9	172.6	-173.8	0	0	0	0	108	A201 M204 R230 V336 H337 L368 N372	A201-V370 HydrophobicContact CB-CG1 3.94Å; M204-V370 HydrophobicContact SD-CG2 4.48Å; R230-V370 HydrophobicContact CG-CB 4.4Å; R230-V370 HydrophobicContact CG-CG1 3.83Å; V336-V370 HydrophobicContact CG1-CG2 4.01Å; H337-V370 PolarHBondContact O-N 3.34Å; L368-V370 HydrophobicContact CD2-CG2 4.07Å; L368-V370 HydrophobicContact CG-CG2 4.23Å; V370-N372 PolarHBondContact O-N 2.97Å; V370-N372 VanDerWaalsContact O-N 3.09Å; V370-N372 PolarHBondContact O-ND2 3.12Å
371	N	98.8	Very high	97.9	Very high	7 Å²	7	25.4 Å²	25.4	4%	0.037	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	81.7	-172.4	-179.6	4.2	0	0	0	110.9	D339 I369 Q373 C389 D432 L433 C435	D339-N371 HydrophobicContact CB-CB 4.04Å; D339-N371 WeakPolarHBondContact CB-OD1 3.33Å; I369-N371 VanDerWaalsContact C-N 3.28Å; I369-N371 HydrophobicContact CG2-CB 4.25Å; I369-N371 PolarHBondContact O-N 2.87Å; N371-Q373 PolarHBondContact O-N 3.26Å; N371-Q373 PolarHBondContact OD1-N 2.9Å; N371-C389 PolarHBondContact ND2-SG 3.25Å; N371-D432 WeakPolarHBondContact CB-OD1 3.4Å; N371-D432 PolarHBondContact ND2-OD1 2.98Å; N371-L433 WeakPolarHBondContact CA-O 3.34Å; N371-L433 WeakPolarHBondContact CB-O 3.39Å; N371-L433 PolarHBondContact N-O 3.49Å; N371-C435 PolarHBondContact O-N 3.42Å
372	N	98.4	Very high	97.9	Very high	10 Å²	10	31.9 Å²	31.9	5%	0.053	17%	0.165	C	C	.	.			trans	-81.8	8.8	175.4	60.7	65.9	0	0	0	113	D339 V370 V374 R437	D339-N372 PolarHBondContact OD1-N 2.71Å; V370-N372 PolarHBondContact O-N 2.97Å; V370-N372 VanDerWaalsContact O-N 3.09Å; V370-N372 PolarHBondContact O-ND2 3.12Å; N372-V374 PolarHBondContact O-N 3.45Å; N372-V374 PolarHBondContact OD1-N 3.48Å; N372-V374 PolarHBondContact OD1-O 3.43Å; N372-R437 HydrophobicContact CB-CB 4.09Å
373	Q	98.5	Very high	97.8	Very high	23 Å²	23	33.2 Å²	33.2	11%	0.107	18%	0.178	C	C	.	.	S	Bend	trans	70.8	4.4	173.2	-48.9	173.9	55.2	0	0	115.4	N80 N371 S380 I434 C435 M454	N80-Q373 PolarHBondContact ND2-OE1 3.5Å; N80-Q373 PolarHBondContact OD1-NE2 2.94Å; N80-Q373 PolarHBondContact OD1-OE1 3.35Å; N371-Q373 PolarHBondContact O-N 3.26Å; N371-Q373 PolarHBondContact OD1-N 2.9Å; Q373-S380 PolarHBondContact O-N 2.94Å; Q373-S380 VanDerWaalsContact O-N 3.14Å; Q373-S380 PolarHBondContact O-OG 3.48Å; Q373-I434 HydrophobicContact CG-CG2 4.3Å; Q373-C435 PolarHBondContact NE2-O 3.46Å; Q373-M454 HydrophobicContact CB-CE 4.07Å
374	V	98.2	Very high	97.8	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.018	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	119.2	-177.6	63.7	0	0	0	0	114.4	D339 N372 Y376 T378 R437 M454	D339-V374 PolarHBondContact OD2-N 3.23Å; N372-V374 PolarHBondContact O-N 3.45Å; N372-V374 PolarHBondContact OD1-N 3.48Å; N372-V374 PolarHBondContact OD1-O 3.43Å; V374-Y376 WeakPolarHBondContact CG2-O 3.49Å; V374-Y376 PolarHBondContact O-N 3.04Å; V374-T378 WeakPolarHBondContact CA-O 3.49Å; V374-R437 PolarHBondContact O-NH1 3.24Å; V374-M454 HydrophobicContact CB-SD 4.47Å; V374-M454 HydrophobicContact CG1-SD 4.33Å
375	G	97.1	Very high	97.8	Very high	30 Å²	30	41.8 Å²	41.8	31%	0.309	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	101.8	171	0	0	0	0	0	111.8	T377 T378	G375-T377 PolarHBondContact O-N 2.9Å; G375-T378 PolarHBondContact N-O 3.44Å; G375-T378 WeakPolarHBondContact O-CB 3.36Å; G375-T378 PolarHBondContact O-N 2.89Å
376	Y	97.8	Very high	97.8	Very high	112 Å²	112	44.5 Å²	44.5	44%	0.439	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	-100.1	-168.2	-160.5	-34.9	0	0	0	110.8	V374 R437 H441 D445	V374-Y376 WeakPolarHBondContact CG2-O 3.49Å; V374-Y376 PolarHBondContact O-N 3.04Å; Y376-R437 PolarHBondContact O-NH1 3.23Å; Y376-R437 PolarHBondContact O-NH2 3.36Å; Y376-H441 HydrophobicContact CD1-CB 3.51Å; Y376-H441 AromaticContact CD1-CG 3.93Å; Y376-H441 HydrophobicContact CD2-CB 4.44Å; Y376-H441 AromaticContact CD2-CD2 3.52Å; Y376-H441 HydrophobicContact CE1-CB 3.87Å; Y376-H441 AromaticContact CE2-CD2 3.8Å; Y376-H441 HydrophobicContact CG-CB 3.85Å; Y376-H441 AromaticContact CG-CD2 3.73Å; Y376-H441 AromaticContact CG-CG 3.71Å; Y376-D445 WeakPolarHBondContact CE1-OD2 3.44Å
377	T	97.9	Very high	97.7	Very high	55 Å²	55	48.1 Å²	48.1	34%	0.337	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-10.2	174.9	58.9	0	0	0	0	113.3	G375 P379 T450 N451	G375-T377 PolarHBondContact O-N 2.9Å; T377-P379 WeakPolarHBondContact O-CD 3.28Å; T377-T450 WeakPolarHBondContact CB-OG1 3.41Å; T377-T450 HydrophobicContact CG2-CG2 4.13Å; T377-T450 WeakPolarHBondContact CG2-OG1 3.48Å; T377-N451 PolarHBondContact O-ND2 3.45Å; T377-N451 VanDerWaalsContact O-ND2 3.13Å; T377-N451 PolarHBondContact O-OD1 3.34Å
378	T	98.5	Very high	97.7	Very high	63 Å²	63	48.5 Å²	48.5	39%	0.387	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	114	-171	-57.9	0	0	0	0	109.9	V374 G375 R382	V374-T378 WeakPolarHBondContact CA-O 3.49Å; G375-T378 PolarHBondContact N-O 3.44Å; G375-T378 WeakPolarHBondContact O-CB 3.36Å; G375-T378 PolarHBondContact O-N 2.89Å; T378-R382 HydrophobicContact CG2-CB 3.58Å
379	P	97.6	Very high	97.7	Very high	40 Å²	40	48.5 Å²	48.5	26%	0.26	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	162.7	177.9	28.6	-34.7	0	0	0	112.5	T377 D381 R382 G383	T377-P379 WeakPolarHBondContact O-CD 3.28Å; P379-D381 VanDerWaalsContact C-N 3.3Å; P379-D381 WeakPolarHBondContact CB-OD1 2.85Å; P379-D381 WeakPolarHBondContact CG-OD1 3.3Å; P379-D381 PolarHBondContact O-N 3.44Å; P379-R382 HydrophobicContact CG-CG 4.22Å; P379-R382 PolarHBondContact O-N 2.69Å; P379-G383 PolarHBondContact O-N 2.96Å
380	S	94.3	Very high	97.7	Very high	21 Å²	21	48.5 Å²	48.5	15%	0.147	27%	0.269	C	S	.	.	H	α-helix	trans	-48.3	-41.2	-179.3	-86.8	0	0	0	0	115.6	Q373 R382 G383 R384	Q373-S380 PolarHBondContact O-N 2.94Å; Q373-S380 VanDerWaalsContact O-N 3.14Å; Q373-S380 PolarHBondContact O-OG 3.48Å; S380-R382 PolarHBondContact O-N 3.14Å; S380-R382 VanDerWaalsContact O-N 3.16Å; S380-G383 PolarHBondContact O-N 2.99Å; S380-G383 VanDerWaalsContact O-N 3.16Å; S380-R384 PolarHBondContact OG-NH1 3.28Å
381	D	93.8	Very high	97.7	Very high	108 Å²	108	49.8 Å²	49.8	58%	0.578	28%	0.276	S	S	*	.	H	α-helix	trans	-65.9	-15.4	-179.7	68.6	-49.8	0	0	0	113.5	P379	P379-D381 VanDerWaalsContact C-N 3.3Å; P379-D381 WeakPolarHBondContact CB-OD1 2.85Å; P379-D381 WeakPolarHBondContact CG-OD1 3.3Å; P379-D381 PolarHBondContact O-N 3.44Å
382	R	97.7	Very high	97.6	Very high	188 Å²	188	51 Å²	51	71%	0.709	28%	0.284	S	S	*	.	H	α-helix	trans	-108.7	-9.7	176.4	-55.5	-52.8	-178.5	92.5	1	113.5	T378 P379 S380	T378-R382 HydrophobicContact CG2-CB 3.58Å; P379-R382 HydrophobicContact CG-CG 4.22Å; P379-R382 PolarHBondContact O-N 2.69Å; S380-R382 PolarHBondContact O-N 3.14Å; S380-R382 VanDerWaalsContact O-N 3.16Å
383	G	96.8	Very high	97.6	Very high	28 Å²	28	50.6 Å²	50.6	29%	0.289	28%	0.281	S	S	.	.	H	α-helix	trans	-89.4	-13.1	180	0	0	0	0	0	114.6	T343 P379 S380	T343-G383 PolarHBondContact OG1-O 2.67Å; P379-G383 PolarHBondContact O-N 2.96Å; S380-G383 PolarHBondContact O-N 2.99Å; S380-G383 VanDerWaalsContact O-N 3.16Å
384	R	97.6	Very high	97.6	Very high	49 Å²	49	52.5 Å²	52.5	19%	0.185	29%	0.289	C	S	.	.			trans	-157.2	171	-176.1	62.4	-178.9	178.7	-84.8	3.1	112.6	T343 S380 S386 L387 Y388	T343-R384 HydrophobicContact CG2-CB 3.99Å; S380-R384 PolarHBondContact OG-NH1 3.28Å; R384-S386 WeakPolarHBondContact CD-O 3.24Å; R384-S386 PolarHBondContact NE-O 3.48Å; R384-L387 PolarHBondContact NE-O 3.41Å; R384-L387 VanDerWaalsContact NE-O 3.11Å; R384-L387 PolarHBondContact NH2-O 3.09Å; R384-Y388 WeakPolarHBondContact CD-O 3.29Å
385	S	98	Very high	97.6	Very high	136 Å²	136	57.1 Å²	57.1	95%	0.951	31%	0.312	S	S	*	.	S	Bend	trans	-115.8	23.3	-179.6	-56.2	0	0	0	0	113.8
386	S	97.9	Very high	97.5	Very high	57 Å²	57	57.1 Å²	57.1	40%	0.399	31%	0.306	S	S	.	.	S	Bend	trans	-145.8	174.6	179.3	68.7	0	0	0	0	110.6	R384 Y388 D391	R384-S386 WeakPolarHBondContact CD-O 3.24Å; R384-S386 PolarHBondContact NE-O 3.48Å; S386-Y388 PolarHBondContact OG-O 3.34Å; S386-D391 WeakPolarHBondContact CB-OD2 3.39Å; S386-D391 VanDerWaalsContact OG-CB 3.29Å; S386-D391 WeakPolarHBondContact OG-CB 3.43Å; S386-D391 PolarHBondContact OG-OD2 3.18Å
387	L	97.6	Very high	97.4	Very high	76 Å²	76	55.1 Å²	55.1	40%	0.398	30%	0.303	S	S	.	.	S	Bend	trans	-67.1	-48.6	-172.2	-177.4	57.6	0	0	0	111.8	V88 R384 D391	V88-L387 HydrophobicContact CG1-CD1 4.02Å; V88-L387 HydrophobicContact CG1-CD2 4.15Å; V88-L387 HydrophobicContact CG1-CG 4.34Å; R384-L387 PolarHBondContact NE-O 3.41Å; R384-L387 VanDerWaalsContact NE-O 3.11Å; R384-L387 PolarHBondContact NH2-O 3.09Å; L387-D391 PolarHBondContact N-OD2 3.42Å
388	Y	98.6	Very high	97.3	Very high	12 Å²	12	52.6 Å²	52.6	5%	0.047	29%	0.288	C	S	.	.			trans	-110.1	150.8	-173.5	-57.9	-71.6	0	0	0	111.9	H74 I79 V88 R384 S386 S390 D391 H402	H74-Y388 AromaticContact CE1-CE2 3.61Å; H74-Y388 AromaticContact ND1-CE2 3.37Å; H74-Y388 WeakPolarHBondContact ND1-CE2 3.38Å; H74-Y388 AromaticContact ND1-CZ 3.51Å; H74-Y388 PolarHBondContact ND1-OH 2.82Å; H74-Y388 PolarHBondContact O-OH 3.27Å; I79-Y388 HydrophobicContact CD1-CE1 4.16Å; V88-Y388 HydrophobicContact CG1-CE1 4.2Å; R384-Y388 WeakPolarHBondContact CD-O 3.29Å; S386-Y388 PolarHBondContact OG-O 3.34Å; Y388-S390 VanDerWaalsContact C-N 3.26Å; Y388-S390 WeakPolarHBondContact CB-OG 3.43Å; Y388-S390 PolarHBondContact O-N 3.4Å; Y388-D391 PolarHBondContact N-OD2 2.99Å; Y388-D391 WeakPolarHBondContact O-CB 3.31Å; Y388-D391 PolarHBondContact O-N 3.43Å; Y388-D391 VanDerWaalsContact O-OD2 3.09Å; Y388-H402 AromaticContact CD1-CE1 3.38Å; Y388-H402 WeakPolarHBondContact CD1-CE1 3.37Å; Y388-H402 AromaticContact CD1-ND1 3.75Å; Y388-H402 AromaticContact CD2-CE1 3.88Å; Y388-H402 AromaticContact CD2-NE2 3.96Å; Y388-H402 AromaticContact CE1-CE1 3.86Å; Y388-H402 AromaticContact CG-CE1 3.39Å; Y388-H402 AromaticContact CG-NE2 3.93Å
389	C	98.6	Very high	97.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-67	-31.9	171.9	61.3	0	0	0	0	111.5	D339 F342 T343 N371 D391 D432	D339-C389 HydrophobicContact CB-CB 4.12Å; F342-C389 VanDerWaalsContact CD1-O 3.23Å; F342-C389 WeakPolarHBondContact CD1-O 3.33Å; F342-C389 WeakPolarHBondContact CE1-O 3.02Å; T343-C389 HydrophobicContact CG2-CB 3.89Å; T343-C389 WeakPolarHBondContact CG2-O 3Å; N371-C389 PolarHBondContact ND2-SG 3.25Å; C389-D391 PolarHBondContact O-N 3.04Å; C389-D391 VanDerWaalsContact O-N 3.17Å; C389-D432 PolarHBondContact SG-OD1 2.96Å; C389-D432 VanDerWaalsContact SG-OD1 3.42Å
390	S	98.7	Very high	97.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-65.4	-12.3	177.5	56.4	0	0	0	0	114.8	Y388 V392 G393 V400 H402	Y388-S390 VanDerWaalsContact C-N 3.26Å; Y388-S390 WeakPolarHBondContact CB-OG 3.43Å; Y388-S390 PolarHBondContact O-N 3.4Å; S390-V392 PolarHBondContact O-N 2.99Å; S390-G393 PolarHBondContact O-N 2.85Å; S390-V400 WeakPolarHBondContact OG-CG1 3.15Å; S390-H402 PolarHBondContact OG-CE1 3.25Å; S390-H402 VanDerWaalsContact OG-CE1 3.25Å
391	D	98.6	Very high	97.5	Very high	28 Å²	28	46.7 Å²	46.7	15%	0.15	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-57.7	-23.7	-176.7	-76	-34.8	0	0	0	113.4	S386 L387 Y388 C389 G393 K394	S386-D391 WeakPolarHBondContact CB-OD2 3.39Å; S386-D391 VanDerWaalsContact OG-CB 3.29Å; S386-D391 WeakPolarHBondContact OG-CB 3.43Å; S386-D391 PolarHBondContact OG-OD2 3.18Å; L387-D391 PolarHBondContact N-OD2 3.42Å; Y388-D391 PolarHBondContact N-OD2 2.99Å; Y388-D391 WeakPolarHBondContact O-CB 3.31Å; Y388-D391 PolarHBondContact O-N 3.43Å; Y388-D391 VanDerWaalsContact O-OD2 3.09Å; C389-D391 PolarHBondContact O-N 3.04Å; C389-D391 VanDerWaalsContact O-N 3.17Å; D391-G393 PolarHBondContact O-N 2.93Å; D391-K394 HydrophobicContact CB-CD 4.41Å; D391-K394 VanDerWaalsContact O-CB 3.25Å; D391-K394 WeakPolarHBondContact O-CB 3.19Å; D391-K394 PolarHBondContact O-N 3.33Å; D391-K394 WeakPolarHBondContact OD1-CD 3.36Å; D391-K394 WeakPolarHBondContact OD1-CE 3.46Å; D391-K394 IonicContact OD1-NZ 2.75Å; D391-K394 PolarHBondContact OD1-NZ 2.89Å
392	V	98.4	Very high	97.7	Very high	33 Å²	33	41.6 Å²	41.6	20%	0.2	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-56.2	-37.5	173.2	-174.3	0	0	0	0	111.3	F342 T343 V348 P349 L352 S390 K394 M395	F342-V392 HydrophobicContact CD1-CB 4.24Å; F342-V392 HydrophobicContact CD1-CG2 4.1Å; F342-V392 HydrophobicContact CE1-CB 3.73Å; F342-V392 HydrophobicContact CE1-CG2 4.09Å; F342-V392 HydrophobicContact CZ-CB 4.38Å; T343-V392 HydrophobicContact CG2-CG2 4.1Å; V348-V392 HydrophobicContact CG1-CG1 4.09Å; P349-V392 HydrophobicContact CB-CG1 4.16Å; P349-V392 HydrophobicContact CG-CG1 4.44Å; L352-V392 HydrophobicContact CD1-CG1 3.92Å; S390-V392 PolarHBondContact O-N 2.99Å; V392-K394 PolarHBondContact O-N 3.16Å; V392-M395 WeakPolarHBondContact O-CG 3.42Å; V392-M395 PolarHBondContact O-N 3.36Å
393	G	98.1	Very high	97.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-64	-20.2	177.6	0	0	0	0	0	114.2	S390 D391 M395 V396 N397 C398	S390-G393 PolarHBondContact O-N 2.85Å; D391-G393 PolarHBondContact O-N 2.93Å; G393-M395 PolarHBondContact O-N 3.44Å; G393-V396 WeakPolarHBondContact O-CG2 3.44Å; G393-V396 PolarHBondContact O-N 2.95Å; G393-V396 VanDerWaalsContact O-N 3.15Å; G393-N397 PolarHBondContact O-N 2.94Å; G393-C398 WeakPolarHBondContact O-CB 3.49Å; G393-C398 PolarHBondContact O-N 2.89Å; G393-C398 VanDerWaalsContact O-N 3.13Å
394	K	98	Very high	97.9	Very high	63 Å²	63	31.4 Å²	31.4	27%	0.274	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-66	-20.6	-179.3	-63.9	-179.9	172.6	168.9	0	112.3	E139 Q142 D391 V392 V396 N397	E139-K394 VanDerWaalsContact CD-NZ 3.28Å; E139-K394 VanDerWaalsContact OE1-CE 3.24Å; E139-K394 WeakPolarHBondContact OE1-CE 3.45Å; E139-K394 IonicContact OE1-NZ 2.7Å; E139-K394 PolarHBondContact OE1-NZ 3.36Å; E139-K394 VanDerWaalsContact OE1-NZ 3.13Å; E139-K394 IonicContact OE2-NZ 3.45Å; E139-K394 PolarHBondContact OE2-NZ 3.49Å; Q142-K394 HydrophobicContact CB-CG 4.23Å; Q142-K394 HydrophobicContact CG-CG 4.19Å; D391-K394 HydrophobicContact CB-CD 4.41Å; D391-K394 VanDerWaalsContact O-CB 3.25Å; D391-K394 WeakPolarHBondContact O-CB 3.19Å; D391-K394 PolarHBondContact O-N 3.33Å; D391-K394 WeakPolarHBondContact OD1-CD 3.36Å; D391-K394 WeakPolarHBondContact OD1-CE 3.46Å; D391-K394 IonicContact OD1-NZ 2.75Å; D391-K394 PolarHBondContact OD1-NZ 2.89Å; V392-K394 PolarHBondContact O-N 3.16Å; K394-V396 PolarHBondContact O-N 3.21Å; K394-V396 VanDerWaalsContact O-N 3.15Å; K394-N397 PolarHBondContact O-N 3.45Å; K394-N397 VanDerWaalsContact O-N 3.09Å
395	M	97.4	Very high	97.9	Very high	100 Å²	100	29.1 Å²	29.1	49%	0.493	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-60.6	-24.3	174.9	78.3	175.6	-74.1	0	0	113.4	P349 L352 T353 V392 G393	P349-M395 VanDerWaalsContact CA-SD 3.6Å; P349-M395 HydrophobicContact CB-CE 4.2Å; P349-M395 HydrophobicContact CB-SD 3.27Å; P349-M395 WeakPolarHBondContact CB-SD 3.36Å; L352-M395 HydrophobicContact CB-SD 4.33Å; T353-M395 VanDerWaalsContact OG1-CE 3.29Å; T353-M395 WeakPolarHBondContact OG1-CE 3.49Å; V392-M395 WeakPolarHBondContact O-CG 3.42Å; V392-M395 PolarHBondContact O-N 3.36Å; G393-M395 PolarHBondContact O-N 3.44Å
396	V	95.7	Very high	97.9	Very high	30 Å²	30	24.5 Å²	24.5	18%	0.182	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-116.9	17.2	176.8	-64.2	0	0	0	0	112.7	L352 G393 K394 C398	L352-V396 HydrophobicContact CB-CG1 4.31Å; L352-V396 HydrophobicContact CB-CG2 4.19Å; L352-V396 HydrophobicContact CD2-CG2 4.18Å; L352-V396 WeakPolarHBondContact O-CG1 3.29Å; G393-V396 WeakPolarHBondContact O-CG2 3.44Å; G393-V396 PolarHBondContact O-N 2.95Å; G393-V396 VanDerWaalsContact O-N 3.15Å; K394-V396 PolarHBondContact O-N 3.21Å; K394-V396 VanDerWaalsContact O-N 3.15Å; V396-C398 VanDerWaalsContact C-N 3.27Å; V396-C398 HydrophobicContact CG2-CB 4.27Å; V396-C398 PolarHBondContact O-N 3.48Å
397	N	96.6	Very high	97.9	Very high	70 Å²	70	24 Å²	24	37%	0.374	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	38.3	-178.3	-52.3	-49	0	0	0	112.9	Q142 G393 K394	Q142-N397 WeakPolarHBondContact O-CB 3.47Å; Q142-N397 PolarHBondContact O-OD1 3.08Å; Q142-N397 VanDerWaalsContact O-OD1 3.13Å; G393-N397 PolarHBondContact O-N 2.94Å; K394-N397 PolarHBondContact O-N 3.45Å; K394-N397 VanDerWaalsContact O-N 3.09Å
398	C	95.3	Very high	97.8	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.02	11%	0.106	C	C	.	.			trans	-62.5	145.4	-179.4	-168.9	0	0	0	0	111.9	Q142 G393 V396 D428 I430	Q142-C398 VanDerWaalsContact CG-O 3.31Å; Q142-C398 WeakPolarHBondContact CG-O 3.48Å; Q142-C398 PolarHBondContact NE2-O 2.66Å; G393-C398 WeakPolarHBondContact O-CB 3.49Å; G393-C398 PolarHBondContact O-N 2.89Å; G393-C398 VanDerWaalsContact O-N 3.13Å; V396-C398 VanDerWaalsContact C-N 3.27Å; V396-C398 HydrophobicContact CG2-CB 4.27Å; V396-C398 PolarHBondContact O-N 3.48Å; C398-D428 PolarHBondContact SG-O 3.34Å; C398-I430 HydrophobicContact CB-CD1 4.25Å
399	A	96.1	Very high	97.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	139.2	169.1	0	0	0	0	0	110.2	L143 F152 Y421 V429 I430	L143-A399 HydrophobicContact CD2-CB 4.03Å; F152-A399 HydrophobicContact CD2-CB 4.36Å; F152-A399 HydrophobicContact CE2-CB 3.62Å; F152-A399 HydrophobicContact CZ-CB 4Å; A399-Y421 HydrophobicContact CB-CD1 3.89Å; A399-Y421 HydrophobicContact CB-CD2 4.24Å; A399-Y421 HydrophobicContact CB-CE1 3.52Å; A399-Y421 HydrophobicContact CB-CE2 3.9Å; A399-Y421 HydrophobicContact CB-CG 4.21Å; A399-V429 HydrophobicContact CB-CB 4.22Å; A399-V429 HydrophobicContact CB-CG2 3.85Å; A399-I430 PolarHBondContact O-N 2.71Å
400	V	98.6	Very high	97.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	131.1	-176.6	-178.9	0	0	0	0	110.5	V138 E139 S390 H402 I430	V138-V400 WeakPolarHBondContact CA-O 3.42Å; E139-V400 HydrophobicContact CB-CB 4.21Å; E139-V400 HydrophobicContact CG-CB 4.43Å; E139-V400 HydrophobicContact CG-CG1 4.43Å; E139-V400 PolarHBondContact N-O 3.48Å; S390-V400 WeakPolarHBondContact OG-CG1 3.15Å; V400-H402 WeakPolarHBondContact CG1-NE2 3.42Å; V400-I430 WeakPolarHBondContact CA-O 3.38Å; V400-I430 HydrophobicContact CG2-CB 4.48Å
401	I	98.9	Very high	97.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	129.3	177.5	-53.5	165.6	0	0	0	107.3	L136 V138 F152 A414 L417 A418 V429 I430 L431 D432	L136-I401 HydrophobicContact CD1-CG2 3.41Å; L136-I401 VanDerWaalsContact CD1-CG2 3.41Å; V138-I401 HydrophobicContact CG1-CG1 4.37Å; V138-I401 HydrophobicContact CG1-CG2 4.45Å; F152-I401 HydrophobicContact CE1-CG1 4.09Å; F152-I401 HydrophobicContact CZ-CD1 3.98Å; F152-I401 HydrophobicContact CZ-CG1 3.62Å; I401-A414 HydrophobicContact CG2-CB 3.81Å; I401-L417 HydrophobicContact CD1-CB 3.97Å; I401-L417 HydrophobicContact CD1-CD2 3.81Å; I401-L417 HydrophobicContact CD1-CG 3.8Å; I401-L417 HydrophobicContact CG1-CD2 4.07Å; I401-A418 HydrophobicContact CD1-CB 3.93Å; I401-V429 HydrophobicContact CD1-CG2 4.23Å; I401-I430 PolarHBondContact N-O 2.8Å; I401-L431 WeakPolarHBondContact O-CA 3.33Å; I401-D432 PolarHBondContact O-N 3.1Å
402	H	98.9	Very high	97.8	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	130.7	174.6	-54.1	-85	0	0	0	109.5	I79 L136 S137 E139 Y388 S390 V400 D432 I434	I79-H402 HydrophobicContact CD1-CB 3.72Å; I79-H402 HydrophobicContact CG2-CB 4.44Å; L136-H402 CarbonylContact C-O 3.59Å; L136-H402 WeakPolarHBondContact CA-O 3.19Å; S137-H402 PolarHBondContact N-O 3.38Å; S137-H402 PolarHBondContact O-N 3.31Å; E139-H402 IonicContact OE1-CE1 3.54Å; E139-H402 IonicContact OE1-NE2 3.61Å; E139-H402 PolarHBondContact OE1-NE2 3.17Å; Y388-H402 AromaticContact CD1-CE1 3.38Å; Y388-H402 WeakPolarHBondContact CD1-CE1 3.37Å; Y388-H402 AromaticContact CD1-ND1 3.75Å; Y388-H402 AromaticContact CD2-CE1 3.88Å; Y388-H402 AromaticContact CD2-NE2 3.96Å; Y388-H402 AromaticContact CE1-CE1 3.86Å; Y388-H402 AromaticContact CG-CE1 3.39Å; Y388-H402 AromaticContact CG-NE2 3.93Å; S390-H402 PolarHBondContact OG-CE1 3.25Å; S390-H402 VanDerWaalsContact OG-CE1 3.25Å; V400-H402 WeakPolarHBondContact CG1-NE2 3.42Å; H402-D432 IonicContact CE1-OD2 3.34Å; H402-D432 WeakPolarHBondContact ND1-CB 3.43Å; H402-D432 IonicContact ND1-OD2 3.91Å; H402-D432 PolarHBondContact ND1-OD2 3.2Å; H402-I434 HydrophobicContact CB-CD1 3.84Å
403	V	98.8	Very high	97.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	139.4	-178.5	66.6	0	0	0	0	111.8	L136 G405 D410 V411 A414 L431 D432 L433 I434	L136-V403 HydrophobicContact CB-CG2 4.2Å; L136-V403 HydrophobicContact CD1-CB 3.97Å; L136-V403 HydrophobicContact CD1-CG2 4.18Å; V403-G405 PolarHBondContact O-N 3.44Å; V403-D410 HydrophobicContact CG2-CB 4Å; V403-V411 HydrophobicContact CG1-CG2 4.04Å; V403-V411 HydrophobicContact CG2-CG2 3.87Å; V403-A414 HydrophobicContact CB-CB 4.17Å; V403-A414 HydrophobicContact CG1-CB 4.22Å; V403-A414 HydrophobicContact CG2-CB 4.4Å; V403-L431 HydrophobicContact CG1-CD2 3.59Å; V403-L431 HydrophobicContact CG1-CG 4.41Å; V403-D432 PolarHBondContact N-O 2.91Å; V403-L433 HydrophobicContact CG1-CD1 3.87Å; V403-I434 WeakPolarHBondContact O-CD1 3.3Å; V403-I434 PolarHBondContact O-N 2.92Å
404	N	98.8	Very high	97.9	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.011	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	120.4	170.2	-167.8	-24.1	0	0	0	109.8	K78 I79 P81 H135 D406 D407	K78-N404 PolarHBondContact O-ND2 3.28Å; I79-N404 WeakPolarHBondContact O-CA 3.34Å; P81-N404 VanDerWaalsContact CB-OD1 3.31Å; P81-N404 WeakPolarHBondContact CB-OD1 3.25Å; H135-N404 HydrophobicContact CB-CB 4.01Å; H135-N404 WeakPolarHBondContact O-CB 3.01Å; H135-N404 PolarHBondContact O-N 3.17Å; N404-D406 PolarHBondContact O-N 2.99Å; N404-D406 WeakPolarHBondContact OD1-CB 3.45Å; N404-D406 PolarHBondContact OD1-N 3.13Å; N404-D407 HydrophobicContact CB-CB 4.44Å; N404-D407 WeakPolarHBondContact CB-OD2 3.49Å; N404-D407 VanDerWaalsContact CG-OD2 3.3Å; N404-D407 PolarHBondContact ND2-OD2 3Å; N404-D407 PolarHBondContact O-N 3.18Å; N404-D407 VanDerWaalsContact O-N 3.14Å
405	G	98.5	Very high	97.9	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.01	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-16.3	179.4	0	0	0	0	0	114.5	S203 V403 D407 I434 V464	S203-G405 VanDerWaalsContact CB-O 3.28Å; S203-G405 WeakPolarHBondContact CB-O 3.4Å; S203-G405 PolarHBondContact OG-O 3.26Å; V403-G405 PolarHBondContact O-N 3.44Å; G405-D407 VanDerWaalsContact C-N 3.34Å; G405-I434 WeakPolarHBondContact CA-O 3.46Å; G405-I434 PolarHBondContact N-O 3.01Å; G405-V464 WeakPolarHBondContact O-CG1 3.14Å
406	D	98.2	Very high	98	Very high	39 Å²	39	14.1 Å²	14.1	21%	0.209	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-25.2	173.4	-71.5	-6.7	0	0	0	112.3	P81 N404 A408 R461 V464	P81-D406 WeakPolarHBondContact CA-OD2 3.43Å; P81-D406 HydrophobicContact CB-CB 4.19Å; P81-D406 WeakPolarHBondContact CB-OD1 3.42Å; P81-D406 WeakPolarHBondContact CB-OD2 3.27Å; N404-D406 PolarHBondContact O-N 2.99Å; N404-D406 WeakPolarHBondContact OD1-CB 3.45Å; N404-D406 PolarHBondContact OD1-N 3.13Å; D406-A408 PolarHBondContact O-N 3.19Å; D406-R461 IonicContact OD1-CZ 3.09Å; D406-R461 IonicContact OD1-NH1 2.81Å; D406-R461 IonicContact OD1-NH2 3.23Å; D406-R461 PolarHBondContact OD1-NH2 3.36Å; D406-R461 IonicContact OD2-CZ 3.7Å; D406-R461 VanDerWaalsContact OD2-CZ 3.28Å; D406-R461 IonicContact OD2-NH1 3.7Å; D406-R461 PolarHBondContact OD2-NH1 2.97Å; D406-R461 VanDerWaalsContact OD2-NH1 3.08Å; D406-R461 IonicContact OD2-NH2 2.7Å; D406-R461 PolarHBondContact OD2-NH2 3.35Å; D406-V464 WeakPolarHBondContact OD1-CG2 3.19Å
407	D	97.6	Very high	98.1	Very high	46 Å²	46	12.8 Å²	12.8	25%	0.246	6%	0.064	C	C	.	.			trans	-93.4	75.7	-179	-65	-86.7	0	0	0	110.9	H135 N404 G405 E409 D410 V411	H135-D407 HydrophobicContact CB-CB 4.22Å; H135-D407 VanDerWaalsContact CB-OD2 3.3Å; H135-D407 WeakPolarHBondContact CB-OD2 3.43Å; H135-D407 IonicContact CE1-OD1 3.71Å; H135-D407 IonicContact CE1-OD2 3.08Å; H135-D407 IonicContact CG-OD1 3.37Å; H135-D407 IonicContact CG-OD2 3.37Å; H135-D407 VanDerWaalsContact CG-OD2 3.25Å; H135-D407 IonicContact ND1-OD1 3.48Å; H135-D407 PolarHBondContact ND1-OD1 3.3Å; H135-D407 IonicContact ND1-OD2 3.35Å; H135-D407 PolarHBondContact ND1-OD2 3.17Å; N404-D407 HydrophobicContact CB-CB 4.44Å; N404-D407 WeakPolarHBondContact CB-OD2 3.49Å; N404-D407 VanDerWaalsContact CG-OD2 3.3Å; N404-D407 PolarHBondContact ND2-OD2 3Å; N404-D407 PolarHBondContact O-N 3.18Å; N404-D407 VanDerWaalsContact O-N 3.14Å; G405-D407 VanDerWaalsContact C-N 3.34Å; D407-E409 PolarHBondContact O-N 3.5Å; D407-E409 VanDerWaalsContact O-N 3.12Å; D407-D410 HydrophobicContact CB-CB 4.06Å; D407-D410 PolarHBondContact O-N 3.01Å; D407-V411 PolarHBondContact O-N 3.04Å; D407-V411 VanDerWaalsContact O-N 3.11Å
408	A	96.4	Very high	98.2	Very high	2 Å²	2	9.5 Å²	9.5	2%	0.017	5%	0.047	C	C	.	.	H	α-helix	trans	-55.5	-35	-172.1	0	0	0	0	0	113.9	L172 M176 D406 V411 L412 Y468	L172-A408 HydrophobicContact CD1-CB 4.49Å; L172-A408 HydrophobicContact CD2-CB 3.69Å; L172-A408 HydrophobicContact CG-CB 4.19Å; M176-A408 HydrophobicContact CE-CB 3.6Å; M176-A408 HydrophobicContact SD-CB 3.74Å; D406-A408 PolarHBondContact O-N 3.19Å; A408-V411 WeakPolarHBondContact O-CB 3.29Å; A408-V411 PolarHBondContact O-N 2.7Å; A408-L412 PolarHBondContact O-N 2.98Å; A408-Y468 HydrophobicContact CB-CD2 4.32Å; A408-Y468 HydrophobicContact CB-CG 4.3Å
409	E	98.2	Very high	98.4	Very high	27 Å²	27	9.4 Å²	9.4	13%	0.126	5%	0.046	C	C	.	.	H	α-helix	trans	-67.7	-37.4	175.3	-70	-174.7	-155	0	0	112.7	F164 K169 L172 D407 V411 L412 R413 Y468	F164-E409 HydrophobicContact CD2-CB 3.87Å; F164-E409 HydrophobicContact CD2-CG 3.96Å; F164-E409 HydrophobicContact CE2-CB 3.74Å; F164-E409 HydrophobicContact CE2-CG 4.32Å; F164-E409 VanDerWaalsContact CE2-O 3.24Å; F164-E409 WeakPolarHBondContact CE2-O 3.25Å; F164-E409 WeakPolarHBondContact CZ-O 3.39Å; K169-E409 WeakPolarHBondContact CD-OE1 3.32Å; K169-E409 WeakPolarHBondContact CE-OE1 3.45Å; K169-E409 IonicContact NZ-OE1 2.77Å; K169-E409 PolarHBondContact NZ-OE1 2.87Å; K169-E409 IonicContact NZ-OE2 2.8Å; L172-E409 HydrophobicContact CD2-CG 4.47Å; D407-E409 PolarHBondContact O-N 3.5Å; D407-E409 VanDerWaalsContact O-N 3.12Å; E409-V411 VanDerWaalsContact C-N 3.29Å; E409-V411 PolarHBondContact O-N 3.01Å; E409-L412 WeakPolarHBondContact O-CB 3.43Å; E409-L412 PolarHBondContact O-N 2.93Å; E409-R413 PolarHBondContact O-N 3.19Å; E409-R413 VanDerWaalsContact O-N 3.15Å; E409-Y468 HydrophobicContact CG-CE2 3.87Å; E409-Y468 VanDerWaalsContact CG-OH 3.32Å; E409-Y468 WeakPolarHBondContact CG-OH 3.5Å; E409-Y468 PolarHBondContact OE1-OH 2.79Å
410	D	98.3	Very high	98.5	Very high	17 Å²	17	11.1 Å²	11.1	9%	0.091	6%	0.055	C	C	.	.	H	α-helix	trans	-71.3	-26.7	176	-95.3	0.4	0	0	0	111.4	L136 K160 V403 D407 L412 R413 A414	L136-D410 HydrophobicContact CB-CB 4.01Å; L136-D410 WeakPolarHBondContact CB-OD2 3.41Å; L136-D410 HydrophobicContact CD2-CB 4.42Å; K160-D410 IonicContact NZ-OD1 2.89Å; K160-D410 PolarHBondContact NZ-OD1 2.86Å; K160-D410 IonicContact NZ-OD2 3.77Å; K160-D410 PolarHBondContact NZ-OD2 2.88Å; V403-D410 HydrophobicContact CG2-CB 4Å; D407-D410 HydrophobicContact CB-CB 4.06Å; D407-D410 PolarHBondContact O-N 3.01Å; D410-L412 VanDerWaalsContact C-N 3.34Å; D410-R413 PolarHBondContact O-N 2.83Å; D410-R413 WeakPolarHBondContact OD1-CD 3.37Å; D410-R413 IonicContact OD1-CZ 2.66Å; D410-R413 IonicContact OD1-NE 3.24Å; D410-R413 IonicContact OD1-NH1 3.83Å; D410-R413 PolarHBondContact OD1-NH1 2.71Å; D410-A414 WeakPolarHBondContact O-CB 3.35Å; D410-A414 PolarHBondContact O-N 3.01Å
411	V	98.8	Very high	98.5	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-62.9	-40	169.2	178.3	0	0	0	0	111.1	F207 V403 D407 A408 E409 A414 T415 L433	F207-V411 HydrophobicContact CB-CG1 3.98Å; V403-V411 HydrophobicContact CG1-CG2 4.04Å; V403-V411 HydrophobicContact CG2-CG2 3.87Å; D407-V411 PolarHBondContact O-N 3.04Å; D407-V411 VanDerWaalsContact O-N 3.11Å; A408-V411 WeakPolarHBondContact O-CB 3.29Å; A408-V411 PolarHBondContact O-N 2.7Å; E409-V411 VanDerWaalsContact C-N 3.29Å; E409-V411 PolarHBondContact O-N 3.01Å; V411-A414 PolarHBondContact O-N 3.25Å; V411-T415 PolarHBondContact O-N 3.46Å; V411-T415 PolarHBondContact O-OG1 3.4Å; V411-L433 HydrophobicContact CG1-CD1 4.35Å; V411-L433 HydrophobicContact CG2-CD1 3.7Å
412	L	98.7	Very high	98.4	Very high	7 Å²	7	11.1 Å²	11.1	4%	0.037	6%	0.055	C	C	.	.	H	α-helix	trans	-63.4	-44	173.2	-60.5	-168.6	0	0	0	111.6	F164 L172 G206 E210 A408 E409 D410 A414 T415 R416	F164-L412 HydrophobicContact CD1-CD1 4.02Å; F164-L412 HydrophobicContact CE1-CB 3.66Å; F164-L412 HydrophobicContact CE1-CD1 3.7Å; F164-L412 HydrophobicContact CE1-CG 4.34Å; F164-L412 HydrophobicContact CE2-CB 4.42Å; F164-L412 HydrophobicContact CZ-CB 3.5Å; F164-L412 VanDerWaalsContact CZ-CB 3.5Å; F164-L412 HydrophobicContact CZ-CD1 4.15Å; F164-L412 HydrophobicContact CZ-CG 4.4Å; L172-L412 HydrophobicContact CD1-CD2 4.19Å; L172-L412 HydrophobicContact CD2-CD1 3.86Å; L172-L412 HydrophobicContact CD2-CG 4.04Å; G206-L412 WeakPolarHBondContact O-CD2 3.47Å; E210-L412 HydrophobicContact CB-CD2 3.88Å; E210-L412 HydrophobicContact CG-CD2 4.36Å; A408-L412 PolarHBondContact O-N 2.98Å; E409-L412 WeakPolarHBondContact O-CB 3.43Å; E409-L412 PolarHBondContact O-N 2.93Å; D410-L412 VanDerWaalsContact C-N 3.34Å; L412-A414 PolarHBondContact O-N 3.1Å; L412-T415 WeakPolarHBondContact O-CB 3.35Å; L412-T415 PolarHBondContact O-N 2.99Å; L412-R416 WeakPolarHBondContact O-CG 2.86Å; L412-R416 PolarHBondContact O-N 3.24Å
413	R	98.6	Very high	98.4	Very high	30 Å²	30	12.8 Å²	12.8	11%	0.113	6%	0.062	C	C	.	.	H	α-helix	trans	-60.8	-44.3	175.9	-66.1	-172.3	-178.5	84.6	11.7	112.1	L136 L159 E162 F164 E409 D410 T415 R416 L417	L136-R413 HydrophobicContact CD2-CB 3.97Å; L159-R413 VanDerWaalsContact O-CD 3.29Å; L159-R413 WeakPolarHBondContact O-CD 3.48Å; L159-R413 PolarHBondContact O-NE 3.48Å; E162-R413 PolarHBondContact O-NE 3.27Å; E162-R413 PolarHBondContact O-NH2 2.92Å; F164-R413 HydrophobicContact CE2-CG 3.88Å; F164-R413 VanDerWaalsContact CE2-CZ 3.48Å; F164-R413 HydrophobicContact CZ-CG 3.69Å; E409-R413 PolarHBondContact O-N 3.19Å; E409-R413 VanDerWaalsContact O-N 3.15Å; D410-R413 PolarHBondContact O-N 2.83Å; D410-R413 WeakPolarHBondContact OD1-CD 3.37Å; D410-R413 IonicContact OD1-CZ 2.66Å; D410-R413 IonicContact OD1-NE 3.24Å; D410-R413 IonicContact OD1-NH1 3.83Å; D410-R413 PolarHBondContact OD1-NH1 2.71Å; R413-T415 VanDerWaalsContact C-N 3.26Å; R413-T415 PolarHBondContact O-N 2.89Å; R413-R416 PolarHBondContact O-N 2.76Å; R413-L417 PolarHBondContact O-N 3.04Å
414	A	98.8	Very high	98.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59.2	-40.5	175.7	0	0	0	0	0	111.3	L136 I401 V403 D410 V411 L412 L417 A418 L431	L136-A414 HydrophobicContact CD1-CB 3.79Å; I401-A414 HydrophobicContact CG2-CB 3.81Å; V403-A414 HydrophobicContact CB-CB 4.17Å; V403-A414 HydrophobicContact CG1-CB 4.22Å; V403-A414 HydrophobicContact CG2-CB 4.4Å; D410-A414 WeakPolarHBondContact O-CB 3.35Å; D410-A414 PolarHBondContact O-N 3.01Å; V411-A414 PolarHBondContact O-N 3.25Å; L412-A414 PolarHBondContact O-N 3.1Å; A414-L417 PolarHBondContact O-N 2.87Å; A414-A418 WeakPolarHBondContact O-CB 3.41Å; A414-A418 PolarHBondContact O-N 2.87Å; A414-L431 HydrophobicContact CB-CD1 3.59Å; A414-L431 HydrophobicContact CB-CG 4.09Å
415	T	98.9	Very high	98.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.8	-47.1	177.4	-51	0	0	0	0	111.6	F207 E210 L211 V411 L412 R413 L417 A418 V419	F207-T415 WeakPolarHBondContact CA-OG1 3.49Å; F207-T415 HydrophobicContact CD2-CG2 3.78Å; F207-T415 WeakPolarHBondContact CD2-OG1 3.38Å; F207-T415 HydrophobicContact CE2-CG2 4.09Å; F207-T415 HydrophobicContact CG-CG2 4.44Å; F207-T415 WeakPolarHBondContact O-CG2 3.49Å; E210-T415 HydrophobicContact CB-CG2 3.92Å; E210-T415 HydrophobicContact CG-CG2 4Å; L211-T415 HydrophobicContact CB-CG2 3.91Å; V411-T415 PolarHBondContact O-N 3.46Å; V411-T415 PolarHBondContact O-OG1 3.4Å; L412-T415 WeakPolarHBondContact O-CB 3.35Å; L412-T415 PolarHBondContact O-N 2.99Å; R413-T415 VanDerWaalsContact C-N 3.26Å; R413-T415 PolarHBondContact O-N 2.89Å; T415-L417 VanDerWaalsContact C-N 3.34Å; T415-L417 PolarHBondContact O-N 3.46Å; T415-A418 PolarHBondContact O-N 3.5Å; T415-V419 HydrophobicContact CG2-CG2 4.49Å; T415-V419 WeakPolarHBondContact O-CG2 3.31Å; T415-V419 PolarHBondContact O-N 2.88Å
416	R	98.7	Very high	98	Very high	23 Å²	23	21.3 Å²	21.3	9%	0.087	10%	0.099	C	C	.	.	H	α-helix	trans	-56.7	-48	175.3	-70.8	177.2	-178.9	177.6	2.9	111.3	L159 E162 F164 E168 E210 Q214 L412 R413 A418 V419 D420	L159-R416 HydrophobicContact CD1-CB 4.3Å; L159-R416 HydrophobicContact CD2-CB 3.93Å; E162-R416 IonicContact OE2-NH1 3.95Å; F164-R416 VanDerWaalsContact CE1-CZ 3.45Å; E168-R416 IonicContact OE1-CZ 3.58Å; E168-R416 IonicContact OE1-NH2 3.75Å; E168-R416 PolarHBondContact OE1-NH2 2.78Å; E210-R416 HydrophobicContact CG-CG 4.14Å; E210-R416 WeakPolarHBondContact OE1-CG 3.5Å; E210-R416 IonicContact OE1-CZ 2.86Å; E210-R416 IonicContact OE1-NE 3.46Å; E210-R416 PolarHBondContact OE1-NE 3.27Å; E210-R416 IonicContact OE1-NH2 3.25Å; E210-R416 PolarHBondContact OE1-NH2 2.88Å; E210-R416 IonicContact OE2-NH2 2.79Å; Q214-R416 HydrophobicContact CG-CG 4.34Å; L412-R416 WeakPolarHBondContact O-CG 2.86Å; L412-R416 PolarHBondContact O-N 3.24Å; R413-R416 PolarHBondContact O-N 2.76Å; R416-A418 VanDerWaalsContact C-N 3.35Å; R416-A418 PolarHBondContact O-N 3Å; R416-V419 PolarHBondContact O-N 3.49Å; R416-D420 VanDerWaalsContact O-CB 3.29Å; R416-D420 WeakPolarHBondContact O-CB 3.42Å; R416-D420 PolarHBondContact O-N 3.06Å
417	L	98.8	Very high	97.9	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-59.8	-43.9	177.5	-177.3	59.7	0	0	0	112.4	V138 W151 F152 R155 F156 L159 I401 R413 A414 T415 Y421	V138-L417 HydrophobicContact CG1-CD2 3.96Å; W151-L417 HydrophobicContact CH2-CD1 4.19Å; W151-L417 HydrophobicContact CZ3-CD1 3.96Å; F152-L417 HydrophobicContact CD1-CD2 4.4Å; F152-L417 HydrophobicContact CE1-CD2 3.78Å; F152-L417 HydrophobicContact CE1-CG 4.4Å; F152-L417 HydrophobicContact CE2-CD1 4.45Å; F152-L417 HydrophobicContact CE2-CG 4.31Å; F152-L417 HydrophobicContact CZ-CD2 3.87Å; F152-L417 HydrophobicContact CZ-CG 4.04Å; R155-L417 HydrophobicContact CB-CD1 3.97Å; R155-L417 HydrophobicContact CG-CD1 3.74Å; F156-L417 HydrophobicContact CB-CD2 4.21Å; F156-L417 HydrophobicContact CD2-CD2 3.81Å; F156-L417 HydrophobicContact CG-CD2 4.48Å; L159-L417 HydrophobicContact CD1-CB 3.59Å; L159-L417 HydrophobicContact CD1-CD1 4.15Å; L159-L417 HydrophobicContact CD1-CG 4.4Å; I401-L417 HydrophobicContact CD1-CB 3.97Å; I401-L417 HydrophobicContact CD1-CD2 3.81Å; I401-L417 HydrophobicContact CD1-CG 3.8Å; I401-L417 HydrophobicContact CG1-CD2 4.07Å; R413-L417 PolarHBondContact O-N 3.04Å; A414-L417 PolarHBondContact O-N 2.87Å; T415-L417 VanDerWaalsContact C-N 3.34Å; T415-L417 PolarHBondContact O-N 3.46Å; L417-Y421 VanDerWaalsContact O-CB 3.3Å; L417-Y421 WeakPolarHBondContact O-CB 3.31Å; L417-Y421 PolarHBondContact O-N 2.92Å
418	A	98.8	Very high	97.9	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.008	9%	0.092	C	C	.	.	H	α-helix	trans	-63.2	-47.6	178.9	0	0	0	0	0	111.7	I366 I401 A414 T415 R416 Y421 Q422 V429	I366-A418 HydrophobicContact CG2-CB 4.45Å; I401-A418 HydrophobicContact CD1-CB 3.93Å; A414-A418 WeakPolarHBondContact O-CB 3.41Å; A414-A418 PolarHBondContact O-N 2.87Å; T415-A418 PolarHBondContact O-N 3.5Å; R416-A418 VanDerWaalsContact C-N 3.35Å; R416-A418 PolarHBondContact O-N 3Å; A418-Y421 PolarHBondContact O-N 2.83Å; A418-Q422 WeakPolarHBondContact O-CB 3.41Å; A418-Q422 PolarHBondContact O-N 3.17Å; A418-V429 HydrophobicContact CB-CG1 4.08Å; A418-V429 HydrophobicContact CB-CG2 4.05Å; A418-V429 WeakPolarHBondContact O-CG1 3Å
419	V	98.7	Very high	98	Very high	2 Å²	2	21 Å²	21	1%	0.012	9%	0.091	C	C	.	.	H	α-helix	trans	-62.2	-51.3	177.5	176.2	0	0	0	0	109.8	L211 Q214 I366 T415 R416 Y421 Q422 R423	L211-V419 HydrophobicContact CG-CG2 4.27Å; Q214-V419 HydrophobicContact CB-CB 4.25Å; Q214-V419 HydrophobicContact CB-CG1 3.84Å; Q214-V419 HydrophobicContact CB-CG2 4.26Å; I366-V419 HydrophobicContact CD1-CG2 3.92Å; T415-V419 HydrophobicContact CG2-CG2 4.49Å; T415-V419 WeakPolarHBondContact O-CG2 3.31Å; T415-V419 PolarHBondContact O-N 2.88Å; R416-V419 PolarHBondContact O-N 3.49Å; V419-Y421 VanDerWaalsContact C-N 3.29Å; V419-Y421 PolarHBondContact O-N 2.92Å; V419-Q422 PolarHBondContact O-N 3.13Å; V419-Q422 VanDerWaalsContact O-N 3.11Å; V419-R423 HydrophobicContact CG1-CG 3.97Å; V419-R423 VanDerWaalsContact O-CG 3.23Å; V419-R423 WeakPolarHBondContact O-CG 3.41Å; V419-R423 PolarHBondContact O-N 3.05Å
420	D	98.4	Very high	98.1	Very high	36 Å²	36	19.8 Å²	19.8	19%	0.193	9%	0.085	C	C	.	.	H	α-helix	trans	-56.1	-43.4	-179.9	-71.4	-16.2	0	0	0	111.9	W151 R155 R416 R423 Q424	W151-D420 VanDerWaalsContact CH2-C 3.47Å; W151-D420 HydrophobicContact CH2-CB 3.66Å; W151-D420 HydrophobicContact CZ2-CB 3.85Å; R155-D420 IonicContact CZ-OD2 3.71Å; R155-D420 IonicContact NE-OD2 3.74Å; R155-D420 PolarHBondContact NE-OD2 2.96Å; R155-D420 IonicContact NH2-OD2 2.82Å; R155-D420 PolarHBondContact NH2-OD2 3.2Å; R416-D420 VanDerWaalsContact O-CB 3.29Å; R416-D420 WeakPolarHBondContact O-CB 3.42Å; R416-D420 PolarHBondContact O-N 3.06Å; D420-R423 PolarHBondContact O-N 2.91Å; D420-Q424 WeakPolarHBondContact O-CB 3.39Å; D420-Q424 PolarHBondContact O-N 3.08Å
421	Y	98.3	Very high	98.1	Very high	0 Å²	0	19 Å²	19	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.9	-47.9	177.6	176.1	-93.7	0	0	0	111.1	E148 W151 F152 A399 L417 A418 V419 R423 Q424 F425 R427 V429	E148-Y421 HydrophobicContact CG-CE2 4.45Å; E148-Y421 PolarHBondContact OE2-OH 2.97Å; W151-Y421 HydrophobicContact CE3-CD2 4.05Å; W151-Y421 AromaticContact CZ3-CD2 3.82Å; W151-Y421 HydrophobicContact CZ3-CD2 3.82Å; W151-Y421 HydrophobicContact CZ3-CG 4.24Å; F152-Y421 AromaticContact CD2-CD2 3.47Å; F152-Y421 HydrophobicContact CD2-CD2 3.47Å; F152-Y421 VanDerWaalsContact CD2-CD2 3.47Å; F152-Y421 AromaticContact CD2-CE2 3.96Å; F152-Y421 HydrophobicContact CD2-CE2 3.96Å; F152-Y421 HydrophobicContact CD2-CG 4.19Å; F152-Y421 AromaticContact CE2-CD2 3.6Å; F152-Y421 HydrophobicContact CE2-CD2 3.6Å; F152-Y421 HydrophobicContact CE2-CE2 4.21Å; F152-Y421 AromaticContact CE2-CG 3.86Å; F152-Y421 HydrophobicContact CE2-CG 3.86Å; A399-Y421 HydrophobicContact CB-CD1 3.89Å; A399-Y421 HydrophobicContact CB-CD2 4.24Å; A399-Y421 HydrophobicContact CB-CE1 3.52Å; A399-Y421 HydrophobicContact CB-CE2 3.9Å; A399-Y421 HydrophobicContact CB-CG 4.21Å; L417-Y421 VanDerWaalsContact O-CB 3.3Å; L417-Y421 WeakPolarHBondContact O-CB 3.31Å; L417-Y421 PolarHBondContact O-N 2.92Å; A418-Y421 PolarHBondContact O-N 2.83Å; V419-Y421 VanDerWaalsContact C-N 3.29Å; V419-Y421 PolarHBondContact O-N 2.92Å; Y421-R423 VanDerWaalsContact C-N 3.3Å; Y421-R423 PolarHBondContact O-N 3.28Å; Y421-Q424 PolarHBondContact O-N 3.35Å; Y421-F425 AromaticContact CD2-CD2 3.37Å; Y421-F425 HydrophobicContact CD2-CD2 3.37Å; Y421-F425 AromaticContact CD2-CE2 3.85Å; Y421-F425 HydrophobicContact CD2-CE2 3.85Å; Y421-F425 HydrophobicContact CD2-CG 4.38Å; Y421-F425 HydrophobicContact CE2-CB 4.33Å; Y421-F425 AromaticContact CE2-CD2 3.4Å; Y421-F425 HydrophobicContact CE2-CD2 3.4Å; Y421-F425 VanDerWaalsContact CE2-CD2 3.4Å; Y421-F425 AromaticContact CE2-CE2 3.97Å; Y421-F425 HydrophobicContact CE2-CE2 3.97Å; Y421-F425 HydrophobicContact CE2-CG 4.07Å; Y421-F425 HydrophobicContact CG-CD2 4.12Å; Y421-F425 PolarHBondContact O-N 3.04Å; Y421-R427 HydrophobicContact CE1-CB 4.15Å; Y421-V429 HydrophobicContact CD1-CB 3.75Å; Y421-V429 HydrophobicContact CD1-CG1 4.36Å; Y421-V429 HydrophobicContact CD1-CG2 4.16Å; Y421-V429 HydrophobicContact CE1-CB 4.2Å
422	Q	98.1	Very high	98.1	Very high	0 Å²	0	19 Å²	19	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-65	-37.8	-178.9	-171.8	-79.7	-9.7	0	0	110.3	G363 G364 I366 A418 V419 R426 V429	G363-Q422 PolarHBondContact O-NE2 3.05Å; G364-Q422 WeakPolarHBondContact O-CG 3.42Å; G364-Q422 PolarHBondContact O-NE2 3.12Å; I366-Q422 HydrophobicContact CD1-CB 4.28Å; I366-Q422 HydrophobicContact CD1-CG 4.35Å; I366-Q422 HydrophobicContact CG1-CB 3.99Å; I366-Q422 HydrophobicContact CG1-CG 3.82Å; A418-Q422 WeakPolarHBondContact O-CB 3.41Å; A418-Q422 PolarHBondContact O-N 3.17Å; V419-Q422 PolarHBondContact O-N 3.13Å; V419-Q422 VanDerWaalsContact O-N 3.11Å; Q422-R426 VanDerWaalsContact O-CA 3.28Å; Q422-R426 WeakPolarHBondContact O-CA 3.4Å; Q422-R426 WeakPolarHBondContact O-CD 3.49Å; Q422-R426 PolarHBondContact O-N 3.42Å; Q422-V429 HydrophobicContact CB-CG1 4.01Å
423	R	97.2	Very high	98.1	Very high	34 Å²	34	18.7 Å²	18.7	13%	0.128	8%	0.079	C	C	.	.	H	α-helix	trans	-64.5	-41.3	174.2	-64.8	-61.9	75.5	-164.7	-8.3	112.1	V220 G328 D329 V419 D420 Y421 R426	V220-R423 VanDerWaalsContact CG2-NH1 3.29Å; G328-R423 PolarHBondContact O-NH1 3.09Å; G328-R423 PolarHBondContact O-NH2 2.93Å; D329-R423 PolarHBondContact O-NH1 3.13Å; V419-R423 HydrophobicContact CG1-CG 3.97Å; V419-R423 VanDerWaalsContact O-CG 3.23Å; V419-R423 WeakPolarHBondContact O-CG 3.41Å; V419-R423 PolarHBondContact O-N 3.05Å; D420-R423 PolarHBondContact O-N 2.91Å; Y421-R423 VanDerWaalsContact C-N 3.3Å; Y421-R423 PolarHBondContact O-N 3.28Å; R423-R426 PolarHBondContact O-NE 3.42Å
424	Q	95.9	Very high	98.1	Very high	102 Å²	102	17.7 Å²	17.7	48%	0.477	8%	0.076	S	C	.	.	H	α-helix	trans	-72.6	-52.3	-178.6	179.7	61.4	28.4	0	0	112.4	W151 D420 Y421	W151-Q424 HydrophobicContact CZ2-CB 4.24Å; D420-Q424 WeakPolarHBondContact O-CB 3.39Å; D420-Q424 PolarHBondContact O-N 3.08Å; Y421-Q424 PolarHBondContact O-N 3.35Å
425	F	95.4	Very high	98.1	Very high	33 Å²	33	17.7 Å²	17.7	15%	0.145	8%	0.076	C	C	.	.	H	α-helix	trans	-103.4	-13.8	-167.8	-64.3	-73.1	0	0	0	114.6	E147 E148 W151 Y421 R427	E147-F425 HydrophobicContact CG-CE1 4.11Å; E147-F425 HydrophobicContact CG-CZ 4.45Å; E148-F425 HydrophobicContact CB-CE1 4.41Å; E148-F425 HydrophobicContact CB-CZ 4.39Å; E148-F425 HydrophobicContact CG-CD1 3.6Å; E148-F425 HydrophobicContact CG-CD2 4.35Å; E148-F425 HydrophobicContact CG-CE1 3.64Å; E148-F425 HydrophobicContact CG-CE2 4.36Å; E148-F425 HydrophobicContact CG-CG 3.97Å; E148-F425 HydrophobicContact CG-CZ 4.04Å; W151-F425 HydrophobicContact CB-CE2 3.96Å; W151-F425 HydrophobicContact CB-CZ 3.7Å; W151-F425 AromaticContact CD2-CE2 3.54Å; W151-F425 HydrophobicContact CD2-CE2 3.54Å; W151-F425 HydrophobicContact CD2-CZ 4.15Å; W151-F425 HydrophobicContact CE3-CD2 4.42Å; W151-F425 AromaticContact CE3-CE2 3.59Å; W151-F425 HydrophobicContact CE3-CE2 3.59Å; W151-F425 AromaticContact CG-CE2 3.69Å; W151-F425 HydrophobicContact CG-CE2 3.69Å; W151-F425 AromaticContact CG-CZ 3.78Å; W151-F425 HydrophobicContact CG-CZ 3.78Å; W151-F425 HydrophobicContact CZ3-CE2 4.39Å; Y421-F425 AromaticContact CD2-CD2 3.37Å; Y421-F425 HydrophobicContact CD2-CD2 3.37Å; Y421-F425 AromaticContact CD2-CE2 3.85Å; Y421-F425 HydrophobicContact CD2-CE2 3.85Å; Y421-F425 HydrophobicContact CD2-CG 4.38Å; Y421-F425 HydrophobicContact CE2-CB 4.33Å; Y421-F425 AromaticContact CE2-CD2 3.4Å; Y421-F425 HydrophobicContact CE2-CD2 3.4Å; Y421-F425 VanDerWaalsContact CE2-CD2 3.4Å; Y421-F425 AromaticContact CE2-CE2 3.97Å; Y421-F425 HydrophobicContact CE2-CE2 3.97Å; Y421-F425 HydrophobicContact CE2-CG 4.07Å; Y421-F425 HydrophobicContact CG-CD2 4.12Å; Y421-F425 PolarHBondContact O-N 3.04Å; F425-R427 VanDerWaalsContact C-N 3.25Å; F425-R427 PolarHBondContact O-N 3.37Å
426	R	96.4	Very high	98.1	Very high	47 Å²	47	17.8 Å²	17.8	18%	0.177	8%	0.077	C	C	.	.			trans	56.1	40.2	180	-52.1	-59.2	174.7	108.2	2	113.3	P327 G328 D329 G363 G364 Q422 R423	P327-R426 PolarHBondContact O-NH1 3.41Å; G328-R426 PolarHBondContact O-NH1 2.95Å; D329-R426 VanDerWaalsContact CA-NH1 3.31Å; D329-R426 IonicContact OD1-CZ 3.11Å; D329-R426 IonicContact OD1-NH1 2.95Å; D329-R426 PolarHBondContact OD1-NH1 3.22Å; D329-R426 IonicContact OD1-NH2 3.78Å; D329-R426 PolarHBondContact OD1-NH2 3.31Å; G363-R426 CarbonylContact C-O 3.4Å; G363-R426 CarbonylContact O-C 3.59Å; G363-R426 VanDerWaalsContact O-C 3.3Å; G363-R426 WeakPolarHBondContact O-CA 3.32Å; G364-R426 PolarHBondContact N-O 2.69Å; Q422-R426 VanDerWaalsContact O-CA 3.28Å; Q422-R426 WeakPolarHBondContact O-CA 3.4Å; Q422-R426 WeakPolarHBondContact O-CD 3.49Å; Q422-R426 PolarHBondContact O-N 3.42Å; R423-R426 PolarHBondContact O-NE 3.42Å
427	R	96.6	Very high	98.1	Very high	79 Å²	79	17 Å²	17	30%	0.298	7%	0.074	S	C	.	.	S	Bend	trans	-126.7	158.4	179.9	-73.5	178.8	175.4	-164.4	-3.4	110.8	S144 E148 G364 Y421 F425	S144-R427 PolarHBondContact OG-NH1 3.32Å; E148-R427 VanDerWaalsContact CD-NH1 3.3Å; E148-R427 IonicContact OE1-NH1 3.84Å; E148-R427 PolarHBondContact OE1-NH1 3.1Å; E148-R427 VanDerWaalsContact OE1-NH1 3.11Å; E148-R427 VanDerWaalsContact OE2-CD 3.24Å; E148-R427 WeakPolarHBondContact OE2-CD 3.48Å; E148-R427 IonicContact OE2-CZ 2.64Å; E148-R427 IonicContact OE2-NE 3.13Å; E148-R427 IonicContact OE2-NH1 2.69Å; E148-R427 PolarHBondContact OE2-NH1 3.27Å; G364-R427 WeakPolarHBondContact CA-O 3.23Å; Y421-R427 HydrophobicContact CE1-CB 4.15Å; F425-R427 VanDerWaalsContact C-N 3.25Å; F425-R427 PolarHBondContact O-N 3.37Å
428	D	98.6	Very high	98.1	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.016	8%	0.082	C	C	.	.			trans	-60.3	145.4	178.4	-69.1	17.1	0	0	0	110.3	L352 S355 G364 S365 H367 C398	L352-D428 WeakPolarHBondContact CD2-OD2 3.21Å; S355-D428 WeakPolarHBondContact CB-OD1 3.29Å; S355-D428 WeakPolarHBondContact CB-OD2 3.37Å; G364-D428 VanDerWaalsContact CA-OD1 3.25Å; G364-D428 WeakPolarHBondContact CA-OD1 3.29Å; S365-D428 PolarHBondContact N-OD1 2.77Å; S365-D428 VanDerWaalsContact O-CA 3.26Å; S365-D428 WeakPolarHBondContact O-CA 3.19Å; H367-D428 IonicContact NE2-OD2 3.89Å; H367-D428 PolarHBondContact NE2-OD2 3.3Å; C398-D428 PolarHBondContact SG-O 3.34Å
429	V	98.8	Very high	98.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	134.8	175.6	57.5	0	0	0	0	110	S365 I366 H367 A399 I401 A418 Y421 Q422	S365-V429 PolarHBondContact O-N 3.34Å; S365-V429 VanDerWaalsContact O-N 3.11Å; I366-V429 HydrophobicContact CB-CG1 4.41Å; I366-V429 HydrophobicContact CG1-CG1 4.07Å; I366-V429 HydrophobicContact CG2-CG1 4.33Å; H367-V429 PolarHBondContact CD2-O 3.32Å; H367-V429 PolarHBondContact N-O 3.21Å; A399-V429 HydrophobicContact CB-CB 4.22Å; A399-V429 HydrophobicContact CB-CG2 3.85Å; I401-V429 HydrophobicContact CD1-CG2 4.23Å; A418-V429 HydrophobicContact CB-CG1 4.08Å; A418-V429 HydrophobicContact CB-CG2 4.05Å; A418-V429 WeakPolarHBondContact O-CG1 3Å; Y421-V429 HydrophobicContact CD1-CB 3.75Å; Y421-V429 HydrophobicContact CD1-CG1 4.36Å; Y421-V429 HydrophobicContact CD1-CG2 4.16Å; Y421-V429 HydrophobicContact CE1-CB 4.2Å; Q422-V429 HydrophobicContact CB-CG1 4.01Å
430	I	98.9	Very high	98.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	126.5	-178.9	-64.2	161	0	0	0	109.9	F342 H367 I369 C398 A399 V400 I401	F342-I430 HydrophobicContact CE1-CD1 4.33Å; F342-I430 HydrophobicContact CZ-CD1 3.85Å; F342-I430 HydrophobicContact CZ-CG1 4.44Å; H367-I430 HydrophobicContact CB-CB 4.37Å; H367-I430 HydrophobicContact CB-CG1 3.83Å; I369-I430 HydrophobicContact CD1-CG2 3.58Å; I369-I430 HydrophobicContact CG1-CG2 4.02Å; C398-I430 HydrophobicContact CB-CD1 4.25Å; A399-I430 PolarHBondContact O-N 2.71Å; V400-I430 WeakPolarHBondContact CA-O 3.38Å; V400-I430 HydrophobicContact CG2-CB 4.48Å; I401-I430 PolarHBondContact N-O 2.8Å
431	L	98.9	Very high	98	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	107.8	164.7	-166.4	164.8	0	0	0	108.1	F207 H367 L368 I369 I401 V403 A414 L433	F207-L431 HydrophobicContact CD2-CD1 3.67Å; F207-L431 HydrophobicContact CE2-CD1 3.81Å; H367-L431 PolarHBondContact O-N 3.02Å; L368-L431 HydrophobicContact CD1-CD2 3.81Å; I369-L431 PolarHBondContact N-O 2.73Å; I401-L431 WeakPolarHBondContact O-CA 3.33Å; V403-L431 HydrophobicContact CG1-CD2 3.59Å; V403-L431 HydrophobicContact CG1-CG 4.41Å; A414-L431 HydrophobicContact CB-CD1 3.59Å; A414-L431 HydrophobicContact CB-CG 4.09Å; L431-L433 HydrophobicContact CD2-CB 3.99Å; L431-L433 PolarHBondContact O-N 2.81Å
432	D	98.9	Very high	98	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	105.2	170.6	-179.5	16.8	0	0	0	108	N371 C389 I401 H402 V403 I434	N371-D432 WeakPolarHBondContact CB-OD1 3.4Å; N371-D432 PolarHBondContact ND2-OD1 2.98Å; C389-D432 PolarHBondContact SG-OD1 2.96Å; C389-D432 VanDerWaalsContact SG-OD1 3.42Å; I401-D432 PolarHBondContact O-N 3.1Å; H402-D432 IonicContact CE1-OD2 3.34Å; H402-D432 WeakPolarHBondContact ND1-CB 3.43Å; H402-D432 IonicContact ND1-OD2 3.91Å; H402-D432 PolarHBondContact ND1-OD2 3.2Å; V403-D432 PolarHBondContact N-O 2.91Å; D432-I434 HydrophobicContact CB-CD1 4.33Å; D432-I434 VanDerWaalsContact O-CD1 3.31Å; D432-I434 WeakPolarHBondContact O-CD1 3.26Å
433	L	98.9	Very high	98	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	96.9	177.2	175.6	65.6	0	0	0	108.1	M204 L368 I369 N371 V403 V411 L431 C435	M204-L433 HydrophobicContact CB-CD2 3.73Å; L368-L433 HydrophobicContact CD1-CB 3.84Å; L368-L433 HydrophobicContact CD1-CD2 4.24Å; I369-L433 WeakPolarHBondContact O-CB 3.42Å; I369-L433 PolarHBondContact O-N 3.38Å; N371-L433 WeakPolarHBondContact CA-O 3.34Å; N371-L433 WeakPolarHBondContact CB-O 3.39Å; N371-L433 PolarHBondContact N-O 3.49Å; V403-L433 HydrophobicContact CG1-CD1 3.87Å; V411-L433 HydrophobicContact CG1-CD1 4.35Å; V411-L433 HydrophobicContact CG2-CD1 3.7Å; L431-L433 HydrophobicContact CD2-CB 3.99Å; L431-L433 PolarHBondContact O-N 2.81Å; L433-C435 PolarHBondContact O-N 3.21Å
434	I	98.9	Very high	98	Very high	9 Å²	9	28 Å²	28	5%	0.046	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	108.9	-178.6	-57.2	87.7	0	0	0	107.9	I79 P81 Q373 H402 V403 G405 D432	I79-I434 HydrophobicContact CB-CD1 4.24Å; I79-I434 HydrophobicContact CD1-CD1 3.93Å; I79-I434 HydrophobicContact CD1-CG1 4.46Å; I79-I434 HydrophobicContact CG1-CD1 4.43Å; I79-I434 WeakPolarHBondContact O-CB 3.12Å; P81-I434 WeakPolarHBondContact CD-O 3.4Å; P81-I434 WeakPolarHBondContact CG-O 3.46Å; Q373-I434 HydrophobicContact CG-CG2 4.3Å; H402-I434 HydrophobicContact CB-CD1 3.84Å; V403-I434 WeakPolarHBondContact O-CD1 3.3Å; V403-I434 PolarHBondContact O-N 2.92Å; G405-I434 WeakPolarHBondContact CA-O 3.46Å; G405-I434 PolarHBondContact N-O 3.01Å; D432-I434 HydrophobicContact CB-CD1 4.33Å; D432-I434 VanDerWaalsContact O-CD1 3.31Å; D432-I434 WeakPolarHBondContact O-CD1 3.26Å
435	C	98.8	Very high	98.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	11%	0.113	C	C	.	.			trans	-130.2	-159.5	-173.8	74.4	0	0	0	0	109.7	G200 A201 N371 Q373 L433	G200-C435 WeakPolarHBondContact O-CB 3.48Å; A201-C435 HydrophobicContact CB-CB 3.97Å; A201-C435 VanDerWaalsContact CB-SG 3.57Å; N371-C435 PolarHBondContact O-N 3.42Å; Q373-C435 PolarHBondContact NE2-O 3.46Å; L433-C435 PolarHBondContact O-N 3.21Å
436	Y	98.8	Very high	98.2	Very high	3 Å²	3	28 Å²	28	1%	0.012	13%	0.126	C	C	.	.			trans	-140.3	177	169.6	63.2	-83.7	0	0	0	110.5	P81 L82 G200 I458 R461 V464	P81-Y436 HydrophobicContact CG-CD1 4.39Å; L82-Y436 HydrophobicContact CD2-CD1 4.41Å; L82-Y436 HydrophobicContact CD2-CG 4.13Å; G200-Y436 CarbonylContact C-O 3.58Å; G200-Y436 VanDerWaalsContact CA-CE2 3.44Å; G200-Y436 VanDerWaalsContact CA-CZ 3.41Å; G200-Y436 WeakPolarHBondContact O-CD1 3.29Å; G200-Y436 PolarHBondContact O-N 2.97Å; G200-Y436 VanDerWaalsContact O-N 3.11Å; G200-Y436 VanDerWaalsContact O-O 3.12Å; Y436-I458 HydrophobicContact CD2-CB 4.43Å; Y436-I458 HydrophobicContact CD2-CD1 4.16Å; Y436-I458 HydrophobicContact CD2-CG1 3.92Å; Y436-I458 HydrophobicContact CD2-CG2 3.74Å; Y436-I458 HydrophobicContact CE2-CG2 3.86Å; Y436-I458 HydrophobicContact CG-CG1 4.32Å; Y436-R461 VanDerWaalsContact CE1-NH2 3.32Å; Y436-V464 HydrophobicContact CE1-CG2 4.01Å
437	R	98.6	Very high	98.3	Very high	6 Å²	6	26 Å²	26	2%	0.023	12%	0.12	C	C	.	.			trans	-117.8	112.6	175.7	-170.6	178.8	66.2	-152.8	5.6	109.3	N372 V374 Y376 W439 G440 Y455	N372-R437 HydrophobicContact CB-CB 4.09Å; V374-R437 PolarHBondContact O-NH1 3.24Å; Y376-R437 PolarHBondContact O-NH1 3.23Å; Y376-R437 PolarHBondContact O-NH2 3.36Å; R437-W439 VanDerWaalsContact C-N 3.34Å; R437-W439 WeakPolarHBondContact CG-O 3.02Å; R437-W439 PolarHBondContact NE-O 3.04Å; R437-W439 VanDerWaalsContact NE-O 3.16Å; R437-W439 PolarHBondContact O-N 3.32Å; R437-G440 WeakPolarHBondContact CD-O 3.09Å; R437-G440 PolarHBondContact NE-O 2.82Å; R437-G440 VanDerWaalsContact NE-O 3.09Å; R437-Y455 PolarHBondContact NE-OH 3.23Å; R437-Y455 PolarHBondContact NH2-OH 2.81Å; R437-Y455 WeakPolarHBondContact O-CE1 3.48Å
438	Q	98.6	Very high	98.3	Very high	37 Å²	37	25.6 Å²	25.6	17%	0.173	12%	0.12	C	C	.	.	S	Bend	trans	-57	-46.5	-176.1	-179.1	62.2	16	0	0	111.9	E199 R459	E199-Q438 HydrophobicContact CB-CB 3.51Å; E199-Q438 HydrophobicContact CB-CG 4.12Å; E199-Q438 VanDerWaalsContact O-CB 3.32Å; E199-Q438 WeakPolarHBondContact O-CB 3.29Å; E199-Q438 PolarHBondContact O-N 3.15Å; Q438-R459 PolarHBondContact O-NH1 2.95Å; Q438-R459 PolarHBondContact O-NH2 2.7Å
439	W	98.4	Very high	98.3	Very high	94 Å²	94	33.5 Å²	33.5	36%	0.356	16%	0.155	S	C	.	.	S	Bend	trans	-105	-173.5	-177.2	-54.2	108.4	0	0	0	112.5	E199 R437 E443 Y455	E199-W439 PolarHBondContact OE1-NE1 3.35Å; E199-W439 PolarHBondContact OE2-NE1 3.25Å; R437-W439 VanDerWaalsContact C-N 3.34Å; R437-W439 WeakPolarHBondContact CG-O 3.02Å; R437-W439 PolarHBondContact NE-O 3.04Å; R437-W439 VanDerWaalsContact NE-O 3.16Å; R437-W439 PolarHBondContact O-N 3.32Å; W439-E443 HydrophobicContact CB-CG 4.19Å; W439-E443 HydrophobicContact CG-CG 4.28Å; W439-Y455 WeakPolarHBondContact O-CE1 3.33Å; W439-Y455 PolarHBondContact O-OH 2.97Å
440	G	97.8	Very high	98.3	Very high	2 Å²	2	37 Å²	37	2%	0.021	18%	0.176	C	C	.	.	S	Bend	trans	-58.9	-175.9	168.9	0	0	0	0	0	112.8	R437 N442 D445	R437-G440 WeakPolarHBondContact CD-O 3.09Å; R437-G440 PolarHBondContact NE-O 2.82Å; R437-G440 VanDerWaalsContact NE-O 3.09Å; G440-N442 CarbonylContact C-O 3.59Å; G440-N442 VanDerWaalsContact C-O 3.24Å; G440-N442 WeakPolarHBondContact CA-O 3.31Å; G440-N442 PolarHBondContact O-N 2.87Å; G440-D445 WeakPolarHBondContact CA-O 3.31Å
441	H	97.6	Very high	98.3	Very high	31 Å²	31	37.7 Å²	37.7	14%	0.144	18%	0.18	C	C	.	.	S	Bend	trans	-56.2	-44.5	-178.9	178	52.8	0	0	0	111.7	Y196 H229 R230 Y376	Y196-H441 WeakPolarHBondContact CD1-O 3.38Å; Y196-H441 AromaticContact CE1-NE2 3.74Å; H229-H441 AromaticContact NE2-CE1 3.75Å; R230-H441 PolarHBondContact NH2-O 3.31Å; Y376-H441 HydrophobicContact CD1-CB 3.51Å; Y376-H441 AromaticContact CD1-CG 3.93Å; Y376-H441 HydrophobicContact CD2-CB 4.44Å; Y376-H441 AromaticContact CD2-CD2 3.52Å; Y376-H441 HydrophobicContact CE1-CB 3.87Å; Y376-H441 AromaticContact CE2-CD2 3.8Å; Y376-H441 HydrophobicContact CG-CB 3.85Å; Y376-H441 AromaticContact CG-CD2 3.73Å; Y376-H441 AromaticContact CG-CG 3.71Å
442	N	97.4	Very high	98.3	Very high	7 Å²	7	40.2 Å²	40.2	4%	0.037	20%	0.196	C	C	.	.	S	Bend	trans	-113.8	165.3	157.6	64.9	92.4	0	0	0	108.8	K194 Y196 G440 L444 D445	K194-N442 HydrophobicContact CB-CB 3.99Å; K194-N442 HydrophobicContact CD-CB 3.8Å; K194-N442 VanDerWaalsContact CE-OD1 3.27Å; K194-N442 WeakPolarHBondContact CE-OD1 3.24Å; K194-N442 HydrophobicContact CG-CB 3.8Å; Y196-N442 HydrophobicContact CD1-CB 4.36Å; Y196-N442 HydrophobicContact CE1-CB 3.79Å; G440-N442 CarbonylContact C-O 3.59Å; G440-N442 VanDerWaalsContact C-O 3.24Å; G440-N442 WeakPolarHBondContact CA-O 3.31Å; G440-N442 PolarHBondContact O-N 2.87Å; N442-L444 PolarHBondContact O-N 2.8Å; N442-L444 VanDerWaalsContact O-N 3.1Å; N442-L444 WeakPolarHBondContact OD1-CB 3.38Å; N442-L444 PolarHBondContact OD1-N 2.86Å; N442-D445 WeakPolarHBondContact O-CB 3.41Å; N442-D445 PolarHBondContact O-N 2.77Å; N442-D445 PolarHBondContact OD1-N 3.09Å
443	E	98.3	Very high	98.2	Very high	31 Å²	31	43.4 Å²	43.4	15%	0.145	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-6.6	-169.3	-62.3	80.2	-164.1	0	0	114.5	R195 Y196 G197 W439	R195-E443 HydrophobicContact CG-CG 4.17Å; R195-E443 WeakPolarHBondContact CG-OE1 3.4Å; R195-E443 WeakPolarHBondContact CG-OE2 3.33Å; R195-E443 PolarHBondContact N-OE2 2.71Å; Y196-E443 WeakPolarHBondContact CA-OE1 3.4Å; Y196-E443 PolarHBondContact N-OE1 3.16Å; Y196-E443 PolarHBondContact N-OE2 3.14Å; G197-E443 PolarHBondContact N-OE1 3.2Å; W439-E443 HydrophobicContact CB-CG 4.19Å; W439-E443 HydrophobicContact CG-CG 4.28Å
444	L	97.4	Very high	98.2	Very high	102 Å²	102	45.1 Å²	45.1	53%	0.534	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-1.8	174.6	-56.8	178.9	0	0	0	113.1	A191 K194 N442	A191-L444 WeakPolarHBondContact O-CD2 3.33Å; K194-L444 HydrophobicContact CG-CD1 4.33Å; N442-L444 PolarHBondContact O-N 2.8Å; N442-L444 VanDerWaalsContact O-N 3.1Å; N442-L444 WeakPolarHBondContact OD1-CB 3.38Å; N442-L444 PolarHBondContact OD1-N 2.86Å
445	D	97.7	Very high	98.2	Very high	47 Å²	47	44.7 Å²	44.7	25%	0.251	23%	0.229	S	C	.	.	S	Bend	trans	-92.3	141	-178.3	-169.1	60.1	0	0	0	110.4	Y376 G440 N442 P447	Y376-D445 WeakPolarHBondContact CE1-OD2 3.44Å; G440-D445 WeakPolarHBondContact CA-O 3.31Å; N442-D445 WeakPolarHBondContact O-CB 3.41Å; N442-D445 PolarHBondContact O-N 2.77Å; N442-D445 PolarHBondContact OD1-N 3.09Å; D445-P447 WeakPolarHBondContact O-CD 3.48Å
446	E	97.9	Very high	98.2	Very high	88 Å²	88	53 Å²	53	41%	0.411	26%	0.26	S	S	.	.			trans	-97.4	100.9	-178	176.7	50.1	-97.1	0	0	110.9	F448 F449	E446-F448 PolarHBondContact O-N 3.03Å; E446-F448 VanDerWaalsContact OE1-CB 3.3Å; E446-F448 WeakPolarHBondContact OE1-CB 3.19Å; E446-F448 VanDerWaalsContact OE1-CD2 3.3Å; E446-F448 WeakPolarHBondContact OE1-CD2 3.5Å; E446-F448 PolarHBondContact OE1-N 3Å; E446-F449 HydrophobicContact CB-CD2 4Å; E446-F449 HydrophobicContact CB-CE2 3.64Å; E446-F449 HydrophobicContact CB-CZ 3.92Å; E446-F449 HydrophobicContact CG-CD1 4Å; E446-F449 HydrophobicContact CG-CD2 4.03Å; E446-F449 HydrophobicContact CG-CE1 3.69Å; E446-F449 HydrophobicContact CG-CE2 3.74Å; E446-F449 HydrophobicContact CG-CG 4.16Å; E446-F449 HydrophobicContact CG-CZ 3.55Å
447	P	98	Very high	98.1	Very high	6 Å²	6	55.8 Å²	55.8	4%	0.039	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-74.9	-20	-174.3	29.4	-36.5	0	0	0	114.5	D445 F449 T450 N451 Y455	D445-P447 WeakPolarHBondContact O-CD 3.48Å; P447-F449 PolarHBondContact O-N 2.93Å; P447-F449 VanDerWaalsContact O-N 3.11Å; P447-T450 PolarHBondContact O-N 2.64Å; P447-T450 VanDerWaalsContact O-N 3.16Å; P447-N451 PolarHBondContact O-N 3.02Å; P447-Y455 HydrophobicContact CB-CD1 3.92Å; P447-Y455 HydrophobicContact CB-CD2 3.67Å; P447-Y455 HydrophobicContact CB-CE1 3.59Å; P447-Y455 HydrophobicContact CB-CE2 3.31Å; P447-Y455 HydrophobicContact CB-CG 3.94Å; P447-Y455 HydrophobicContact CG-CD1 3.42Å; P447-Y455 VanDerWaalsContact CG-CD1 3.42Å; P447-Y455 HydrophobicContact CG-CD2 4.11Å; P447-Y455 HydrophobicContact CG-CE1 3.26Å; P447-Y455 HydrophobicContact CG-CE2 3.97Å; P447-Y455 HydrophobicContact CG-CG 3.83Å
448	F	98.2	Very high	98.1	Very high	70 Å²	70	55.5 Å²	55.5	31%	0.307	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-63.1	-19.9	-178.4	-85.1	-95.4	0	0	0	113.1	E446 T450 P452 R456 R459	E446-F448 PolarHBondContact O-N 3.03Å; E446-F448 VanDerWaalsContact OE1-CB 3.3Å; E446-F448 WeakPolarHBondContact OE1-CB 3.19Å; E446-F448 VanDerWaalsContact OE1-CD2 3.3Å; E446-F448 WeakPolarHBondContact OE1-CD2 3.5Å; E446-F448 PolarHBondContact OE1-N 3Å; F448-T450 PolarHBondContact O-N 3.4Å; F448-P452 HydrophobicContact CD1-CB 4.14Å; F448-P452 WeakPolarHBondContact O-CB 3.46Å; F448-P452 WeakPolarHBondContact O-CD 3.49Å; F448-R456 HydrophobicContact CE1-CG 3.99Å; F448-R459 HydrophobicContact CE2-CG 4.07Å; F448-R459 HydrophobicContact CZ-CG 3.96Å
449	F	98.5	Very high	98.1	Very high	170 Å²	170	58.2 Å²	58.2	75%	0.746	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-62.9	-29.2	176.4	-61.9	-25.3	0	0	0	113.4	E446 P447	E446-F449 HydrophobicContact CB-CD2 4Å; E446-F449 HydrophobicContact CB-CE2 3.64Å; E446-F449 HydrophobicContact CB-CZ 3.92Å; E446-F449 HydrophobicContact CG-CD1 4Å; E446-F449 HydrophobicContact CG-CD2 4.03Å; E446-F449 HydrophobicContact CG-CE1 3.69Å; E446-F449 HydrophobicContact CG-CE2 3.74Å; E446-F449 HydrophobicContact CG-CG 4.16Å; E446-F449 HydrophobicContact CG-CZ 3.55Å; P447-F449 PolarHBondContact O-N 2.93Å; P447-F449 VanDerWaalsContact O-N 3.11Å
450	T	98.3	Very high	98.1	Very high	73 Å²	73	58.6 Å²	58.6	45%	0.448	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-28.3	-173.3	52.6	0	0	0	0	113.8	T377 P447 F448	T377-T450 WeakPolarHBondContact CB-OG1 3.41Å; T377-T450 HydrophobicContact CG2-CG2 4.13Å; T377-T450 WeakPolarHBondContact CG2-OG1 3.48Å; P447-T450 PolarHBondContact O-N 2.64Å; P447-T450 VanDerWaalsContact O-N 3.16Å; F448-T450 PolarHBondContact O-N 3.4Å
451	N	98.2	Very high	98.1	Very high	15 Å²	15	61.3 Å²	61.3	8%	0.08	31%	0.309	C	S	.	.			trans	-125.5	46.9	-178	-47.5	112.3	0	0	0	113.2	T377 P447 A453 M454 Y455	T377-N451 PolarHBondContact O-ND2 3.45Å; T377-N451 VanDerWaalsContact O-ND2 3.13Å; T377-N451 PolarHBondContact O-OD1 3.34Å; P447-N451 PolarHBondContact O-N 3.02Å; N451-A453 PolarHBondContact O-N 3.25Å; N451-M454 HydrophobicContact CB-CB 4.36Å; N451-M454 PolarHBondContact O-N 3.32Å; N451-Y455 HydrophobicContact CB-CD2 3.88Å; N451-Y455 HydrophobicContact CB-CE2 4.05Å; N451-Y455 WeakPolarHBondContact O-CD2 3.38Å; N451-Y455 PolarHBondContact O-N 3.21Å; N451-Y455 VanDerWaalsContact O-N 3.09Å
452	P	98.4	Very high	98.1	Very high	53 Å²	53	63.8 Å²	63.8	34%	0.344	32%	0.32	S	S	.	.	H	α-helix	trans	-62.5	-36.1	-169.4	24.6	-34.4	0	0	0	114.2	F448 Y455 R456	F448-P452 HydrophobicContact CD1-CB 4.14Å; F448-P452 WeakPolarHBondContact O-CB 3.46Å; F448-P452 WeakPolarHBondContact O-CD 3.49Å; P452-Y455 PolarHBondContact O-N 3.33Å; P452-R456 VanDerWaalsContact O-CG 3.29Å; P452-R456 WeakPolarHBondContact O-CG 3.24Å; P452-R456 PolarHBondContact O-N 2.94Å
453	A	98.1	Very high	98.1	Very high	67 Å²	67	64.4 Å²	64.4	55%	0.554	33%	0.326	S	S	*	.	H	α-helix	trans	-66.1	-45.8	179.9	0	0	0	0	0	111.8	N451 R456 I457	N451-A453 PolarHBondContact O-N 3.25Å; A453-R456 PolarHBondContact O-N 3.45Å; A453-I457 PolarHBondContact O-N 2.91Å
454	M	98.2	Very high	98.1	Very high	36 Å²	36	63 Å²	63	18%	0.177	32%	0.319	C	S	.	.	H	α-helix	trans	-59.1	-48.3	175.2	177.8	-176.1	-79.7	0	0	110.9	L82 Q373 V374 N451 R456 I457 I458	L82-M454 HydrophobicContact CD1-CE 4.3Å; L82-M454 HydrophobicContact CD1-CG 3.76Å; L82-M454 HydrophobicContact CD1-SD 4.46Å; Q373-M454 HydrophobicContact CB-CE 4.07Å; V374-M454 HydrophobicContact CB-SD 4.47Å; V374-M454 HydrophobicContact CG1-SD 4.33Å; N451-M454 HydrophobicContact CB-CB 4.36Å; N451-M454 PolarHBondContact O-N 3.32Å; M454-R456 PolarHBondContact O-N 3.31Å; M454-I457 WeakPolarHBondContact O-CB 3.24Å; M454-I457 PolarHBondContact O-N 3.39Å; M454-I457 VanDerWaalsContact O-N 3.16Å; M454-I458 HydrophobicContact CG-CD1 3.82Å; M454-I458 WeakPolarHBondContact O-CG1 3.47Å; M454-I458 PolarHBondContact O-N 3.25Å; M454-I458 HydrophobicContact SD-CD1 4.48Å
455	Y	98.6	Very high	98.2	Very high	1 Å²	1	58.2 Å²	58.2	0%	0.004	29%	0.294	C	S	.	.	H	α-helix	trans	-74.3	-21.5	-176.3	-81.9	-94.6	0	0	0	114.2	R437 W439 P447 N451 P452 I457 I458 R459	R437-Y455 PolarHBondContact NE-OH 3.23Å; R437-Y455 PolarHBondContact NH2-OH 2.81Å; R437-Y455 WeakPolarHBondContact O-CE1 3.48Å; W439-Y455 WeakPolarHBondContact O-CE1 3.33Å; W439-Y455 PolarHBondContact O-OH 2.97Å; P447-Y455 HydrophobicContact CB-CD1 3.92Å; P447-Y455 HydrophobicContact CB-CD2 3.67Å; P447-Y455 HydrophobicContact CB-CE1 3.59Å; P447-Y455 HydrophobicContact CB-CE2 3.31Å; P447-Y455 HydrophobicContact CB-CG 3.94Å; P447-Y455 HydrophobicContact CG-CD1 3.42Å; P447-Y455 VanDerWaalsContact CG-CD1 3.42Å; P447-Y455 HydrophobicContact CG-CD2 4.11Å; P447-Y455 HydrophobicContact CG-CE1 3.26Å; P447-Y455 HydrophobicContact CG-CE2 3.97Å; P447-Y455 HydrophobicContact CG-CG 3.83Å; N451-Y455 HydrophobicContact CB-CD2 3.88Å; N451-Y455 HydrophobicContact CB-CE2 4.05Å; N451-Y455 WeakPolarHBondContact O-CD2 3.38Å; N451-Y455 PolarHBondContact O-N 3.21Å; N451-Y455 VanDerWaalsContact O-N 3.09Å; P452-Y455 PolarHBondContact O-N 3.33Å; Y455-I457 VanDerWaalsContact C-N 3.35Å; Y455-I458 HydrophobicContact CD1-CD1 4.16Å; Y455-I458 HydrophobicContact CD2-CD1 4.42Å; Y455-I458 HydrophobicContact CE1-CD1 4.2Å; Y455-I458 HydrophobicContact CE2-CD1 4.47Å; Y455-I458 HydrophobicContact CG-CD1 4.31Å; Y455-I458 PolarHBondContact O-N 3.24Å; Y455-R459 WeakPolarHBondContact O-CB 3.31Å; Y455-R459 WeakPolarHBondContact O-CG 3.32Å; Y455-R459 PolarHBondContact O-N 3.42Å
456	R	98.6	Very high	98.2	Very high	173 Å²	173	57.5 Å²	57.5	65%	0.653	29%	0.29	S	S	*	.	H	α-helix	trans	-61.3	-44.4	166.4	-77	174.2	-170.2	161.5	3.1	111.5	F448 P452 A453 M454 R459 S460	F448-R456 HydrophobicContact CE1-CG 3.99Å; P452-R456 VanDerWaalsContact O-CG 3.29Å; P452-R456 WeakPolarHBondContact O-CG 3.24Å; P452-R456 PolarHBondContact O-N 2.94Å; A453-R456 PolarHBondContact O-N 3.45Å; M454-R456 PolarHBondContact O-N 3.31Å; R456-R459 PolarHBondContact O-N 2.84Å; R456-S460 WeakPolarHBondContact O-CB 3.19Å; R456-S460 PolarHBondContact O-N 3.43Å; R456-S460 VanDerWaalsContact O-N 3.16Å; R456-S460 PolarHBondContact O-OG 2.86Å
457	I	98.4	Very high	98.2	Very high	63 Å²	63	56.1 Å²	56.1	32%	0.323	29%	0.29	S	S	.	.	H	α-helix	trans	-63	-49.4	176.4	-60.7	168.4	0	0	0	109.7	L82 A453 M454 Y455 R459 S460 R461	L82-I457 HydrophobicContact CB-CG2 4.32Å; L82-I457 HydrophobicContact CD2-CG2 4.14Å; A453-I457 PolarHBondContact O-N 2.91Å; M454-I457 WeakPolarHBondContact O-CB 3.24Å; M454-I457 PolarHBondContact O-N 3.39Å; M454-I457 VanDerWaalsContact O-N 3.16Å; Y455-I457 VanDerWaalsContact C-N 3.35Å; I457-R459 VanDerWaalsContact C-N 3.29Å; I457-R459 PolarHBondContact O-N 2.65Å; I457-S460 PolarHBondContact O-N 2.86Å; I457-S460 VanDerWaalsContact O-N 3.15Å; I457-S460 PolarHBondContact O-OG 3.47Å; I457-R461 VanDerWaalsContact O-CG 3.3Å; I457-R461 WeakPolarHBondContact O-CG 3.5Å; I457-R461 PolarHBondContact O-N 2.91Å
458	I	98.6	Very high	98.3	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59.3	-38.9	-179.8	-65.1	169.2	0	0	0	111.8	L82 Y436 M454 Y455 R461	L82-I458 HydrophobicContact CD2-CD1 4.38Å; L82-I458 HydrophobicContact CD2-CG1 3.62Å; Y436-I458 HydrophobicContact CD2-CB 4.43Å; Y436-I458 HydrophobicContact CD2-CD1 4.16Å; Y436-I458 HydrophobicContact CD2-CG1 3.92Å; Y436-I458 HydrophobicContact CD2-CG2 3.74Å; Y436-I458 HydrophobicContact CE2-CG2 3.86Å; Y436-I458 HydrophobicContact CG-CG1 4.32Å; M454-I458 HydrophobicContact CG-CD1 3.82Å; M454-I458 WeakPolarHBondContact O-CG1 3.47Å; M454-I458 PolarHBondContact O-N 3.25Å; M454-I458 HydrophobicContact SD-CD1 4.48Å; Y455-I458 HydrophobicContact CD1-CD1 4.16Å; Y455-I458 HydrophobicContact CD2-CD1 4.42Å; Y455-I458 HydrophobicContact CE1-CD1 4.2Å; Y455-I458 HydrophobicContact CE2-CD1 4.47Å; Y455-I458 HydrophobicContact CG-CD1 4.31Å; Y455-I458 PolarHBondContact O-N 3.24Å; I458-R461 WeakPolarHBondContact O-CG 3.42Å
459	R	98.1	Very high	98.3	Very high	94 Å²	94	52.8 Å²	52.8	36%	0.355	28%	0.275	S	S	.	.	H	α-helix	trans	-76.9	-19.9	179.7	-68.6	-73.4	173.6	-83.6	-3.7	113.9	Q438 F448 Y455 R456 I457	Q438-R459 PolarHBondContact O-NH1 2.95Å; Q438-R459 PolarHBondContact O-NH2 2.7Å; F448-R459 HydrophobicContact CE2-CG 4.07Å; F448-R459 HydrophobicContact CZ-CG 3.96Å; Y455-R459 WeakPolarHBondContact O-CB 3.31Å; Y455-R459 WeakPolarHBondContact O-CG 3.32Å; Y455-R459 PolarHBondContact O-N 3.42Å; R456-R459 PolarHBondContact O-N 2.84Å; I457-R459 VanDerWaalsContact C-N 3.29Å; I457-R459 PolarHBondContact O-N 2.65Å
460	S	97.8	Very high	98.3	Very high	102 Å²	102	47.4 Å²	47.4	71%	0.713	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-3	-179.7	62.1	0	0	0	0	114.3	R456 I457	R456-S460 WeakPolarHBondContact O-CB 3.19Å; R456-S460 PolarHBondContact O-N 3.43Å; R456-S460 VanDerWaalsContact O-N 3.16Å; R456-S460 PolarHBondContact O-OG 2.86Å; I457-S460 PolarHBondContact O-N 2.86Å; I457-S460 VanDerWaalsContact O-N 3.15Å; I457-S460 PolarHBondContact O-OG 3.47Å
461	R	97.3	Very high	98.3	Very high	58 Å²	58	47.7 Å²	47.7	22%	0.219	25%	0.25	C	S	.	.	S	Bend	trans	-112.4	160.7	-174.9	61.5	173.9	-71.7	170.6	-2.6	111.7	P81 D406 Y436 I457 I458	P81-R461 VanDerWaalsContact C-NH1 3.34Å; P81-R461 PolarHBondContact O-NH1 3.23Å; D406-R461 IonicContact OD1-CZ 3.09Å; D406-R461 IonicContact OD1-NH1 2.81Å; D406-R461 IonicContact OD1-NH2 3.23Å; D406-R461 PolarHBondContact OD1-NH2 3.36Å; D406-R461 IonicContact OD2-CZ 3.7Å; D406-R461 VanDerWaalsContact OD2-CZ 3.28Å; D406-R461 IonicContact OD2-NH1 3.7Å; D406-R461 PolarHBondContact OD2-NH1 2.97Å; D406-R461 VanDerWaalsContact OD2-NH1 3.08Å; D406-R461 IonicContact OD2-NH2 2.7Å; D406-R461 PolarHBondContact OD2-NH2 3.35Å; Y436-R461 VanDerWaalsContact CE1-NH2 3.32Å; I457-R461 VanDerWaalsContact O-CG 3.3Å; I457-R461 WeakPolarHBondContact O-CG 3.5Å; I457-R461 PolarHBondContact O-N 2.91Å; I458-R461 WeakPolarHBondContact O-CG 3.42Å
462	Q	97.4	Very high	98.3	Very high	83 Å²	83	47 Å²	47	39%	0.388	25%	0.247	S	C	.	.			trans	-77.3	158.4	170.8	-166.7	171.9	16.7	0	0	110.9	D466 D470	Q462-D466 HydrophobicContact CG-CB 3.71Å; Q462-D466 VanDerWaalsContact NE2-CB 3.34Å; Q462-D470 PolarHBondContact NE2-OD2 3.15Å; Q462-D470 PolarHBondContact OE1-OD2 3.34Å
463	S	98.5	Very high	98.3	Very high	21 Å²	21	46.7 Å²	46.7	15%	0.147	24%	0.242	C	C	.	.			trans	-70.7	157.3	172.1	65.8	0	0	0	0	111.6	Q180 D466 S467	Q180-S463 PolarHBondContact OE1-OG 3.07Å; S463-D466 PolarHBondContact O-N 2.89Å; S463-D466 WeakPolarHBondContact OG-CB 3.2Å; S463-D466 VanDerWaalsContact OG-CG 3.26Å; S463-D466 PolarHBondContact OG-OD2 2.89Å; S463-S467 WeakPolarHBondContact O-CB 3.32Å; S463-S467 PolarHBondContact O-N 3.1Å
464	V	98.3	Very high	98.3	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.012	25%	0.249	C	C	.	.	H	α-helix	trans	-57.3	-49.3	177.8	-176.6	0	0	0	0	112.4	M176 G405 D406 Y436 D466 S467 Y468	M176-V464 HydrophobicContact SD-CG1 4.24Å; G405-V464 WeakPolarHBondContact O-CG1 3.14Å; D406-V464 WeakPolarHBondContact OD1-CG2 3.19Å; Y436-V464 HydrophobicContact CE1-CG2 4.01Å; V464-D466 PolarHBondContact O-N 3.06Å; V464-S467 PolarHBondContact O-N 3.05Å; V464-Y468 PolarHBondContact O-N 3.21Å
465	P	98.7	Very high	98.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.7	-40.7	-178.1	-19.7	32.9	0	0	0	112.6	M176 L177 Q180 E202 S469	M176-P465 HydrophobicContact CB-CB 3.85Å; M176-P465 HydrophobicContact CB-CG 3.94Å; M176-P465 WeakPolarHBondContact O-CG 3.4Å; L177-P465 HydrophobicContact CD2-CB 3.98Å; L177-P465 HydrophobicContact CG-CB 4.27Å; Q180-P465 HydrophobicContact CB-CG 3.97Å; E202-P465 HydrophobicContact CB-CG 3.76Å; E202-P465 HydrophobicContact CG-CG 3.67Å; P465-S469 VanDerWaalsContact O-CB 3.31Å; P465-S469 WeakPolarHBondContact O-CB 3.48Å; P465-S469 PolarHBondContact O-N 3.46Å; P465-S469 PolarHBondContact O-OG 2.94Å
466	D	98.5	Very high	98.2	Very high	32 Å²	32	53.6 Å²	53.6	17%	0.171	29%	0.291	C	S	.	.	H	α-helix	trans	-70	-43.7	-178.6	-67.1	-12.7	0	0	0	110.2	Q180 Q462 S463 V464 Y468 S469 D470 K487	Q180-D466 PolarHBondContact NE2-OD1 3.33Å; Q180-D466 PolarHBondContact NE2-OD2 3.32Å; Q462-D466 HydrophobicContact CG-CB 3.71Å; Q462-D466 VanDerWaalsContact NE2-CB 3.34Å; S463-D466 PolarHBondContact O-N 2.89Å; S463-D466 WeakPolarHBondContact OG-CB 3.2Å; S463-D466 VanDerWaalsContact OG-CG 3.26Å; S463-D466 PolarHBondContact OG-OD2 2.89Å; V464-D466 PolarHBondContact O-N 3.06Å; D466-Y468 PolarHBondContact O-N 3.38Å; D466-S469 WeakPolarHBondContact CA-OG 3.07Å; D466-S469 PolarHBondContact O-N 3.08Å; D466-S469 PolarHBondContact O-OG 3.01Å; D466-D470 PolarHBondContact O-N 2.75Å; D466-K487 WeakPolarHBondContact OD1-CE 3.35Å; D466-K487 IonicContact OD1-NZ 2.9Å; D466-K487 PolarHBondContact OD1-NZ 3.29Å; D466-K487 IonicContact OD2-NZ 2.91Å
467	S	98.3	Very high	98.2	Very high	60 Å²	60	47.2 Å²	47.2	42%	0.42	27%	0.269	S	S	.	.	H	α-helix	trans	-61.4	-42.9	176.2	-176.4	0	0	0	0	112.6	S463 V464 D470 Q471	S463-S467 WeakPolarHBondContact O-CB 3.32Å; S463-S467 PolarHBondContact O-N 3.1Å; V464-S467 PolarHBondContact O-N 3.05Å; S467-D470 PolarHBondContact O-N 3.32Å; S467-Q471 PolarHBondContact O-N 2.99Å; S467-Q471 VanDerWaalsContact O-N 3.15Å
468	Y	98.6	Very high	98.2	Very high	5 Å²	5	44.7 Å²	44.7	2%	0.02	26%	0.256	C	S	.	.	H	α-helix	trans	-67.8	-38.2	176.7	-174	-116.4	0	0	0	111.8	K169 L172 A173 M176 A408 E409 V464 D466 D470 Q471 L472	K169-Y468 WeakPolarHBondContact CB-OH 3.48Å; K169-Y468 WeakPolarHBondContact CG-OH 3.11Å; L172-Y468 HydrophobicContact CB-CE1 4.27Å; L172-Y468 HydrophobicContact CD2-CE1 3.96Å; L172-Y468 HydrophobicContact CG-CE1 4.03Å; A173-Y468 HydrophobicContact CB-CD1 3.82Å; A173-Y468 HydrophobicContact CB-CE1 3.94Å; M176-Y468 HydrophobicContact CE-CD1 3.31Å; M176-Y468 HydrophobicContact CE-CE1 4.1Å; M176-Y468 HydrophobicContact CE-CG 3.77Å; A408-Y468 HydrophobicContact CB-CD2 4.32Å; A408-Y468 HydrophobicContact CB-CG 4.3Å; E409-Y468 HydrophobicContact CG-CE2 3.87Å; E409-Y468 VanDerWaalsContact CG-OH 3.32Å; E409-Y468 WeakPolarHBondContact CG-OH 3.5Å; E409-Y468 PolarHBondContact OE1-OH 2.79Å; V464-Y468 PolarHBondContact O-N 3.21Å; D466-Y468 PolarHBondContact O-N 3.38Å; Y468-D470 PolarHBondContact O-N 3.1Å; Y468-Q471 WeakPolarHBondContact O-CB 3.31Å; Y468-Q471 PolarHBondContact O-N 3.48Å; Y468-L472 HydrophobicContact CD1-CD1 4.33Å; Y468-L472 HydrophobicContact CE1-CD1 3.85Å; Y468-L472 HydrophobicContact CE1-CD2 4.39Å; Y468-L472 HydrophobicContact CE1-CG 4.17Å; Y468-L472 HydrophobicContact CE2-CD2 4.33Å; Y468-L472 PolarHBondContact O-N 3.22Å
469	S	98.4	Very high	98.1	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65	-37.6	175.6	71.7	0	0	0	0	112.8	P465 D466 Q471 L472 I473 R483	P465-S469 VanDerWaalsContact O-CB 3.31Å; P465-S469 WeakPolarHBondContact O-CB 3.48Å; P465-S469 PolarHBondContact O-N 3.46Å; P465-S469 PolarHBondContact O-OG 2.94Å; D466-S469 WeakPolarHBondContact CA-OG 3.07Å; D466-S469 PolarHBondContact O-N 3.08Å; D466-S469 PolarHBondContact O-OG 3.01Å; S469-Q471 VanDerWaalsContact C-N 3.31Å; S469-Q471 PolarHBondContact O-N 3.33Å; S469-L472 PolarHBondContact O-N 2.86Å; S469-I473 VanDerWaalsContact O-CG1 3.25Å; S469-I473 WeakPolarHBondContact O-CG1 3.33Å; S469-I473 PolarHBondContact O-N 2.93Å; S469-R483 WeakPolarHBondContact OG-CD 3.48Å; S469-R483 PolarHBondContact OG-NH1 3.26Å
470	D	98.6	Very high	98.1	Very high	57 Å²	57	48.2 Å²	48.2	31%	0.305	28%	0.282	S	S	.	.	H	α-helix	trans	-63.2	-39	174.1	-74.6	-22.5	0	0	0	111.2	Q462 D466 S467 Y468 I473 S474 R483	Q462-D470 PolarHBondContact NE2-OD2 3.15Å; Q462-D470 PolarHBondContact OE1-OD2 3.34Å; D466-D470 PolarHBondContact O-N 2.75Å; S467-D470 PolarHBondContact O-N 3.32Å; Y468-D470 PolarHBondContact O-N 3.1Å; D470-I473 PolarHBondContact O-N 2.96Å; D470-S474 PolarHBondContact O-N 3.39Å; D470-R483 IonicContact OD1-CZ 3.28Å; D470-R483 IonicContact OD1-NH1 3.7Å; D470-R483 PolarHBondContact OD1-NH1 3.13Å; D470-R483 IonicContact OD1-NH2 3.52Å; D470-R483 PolarHBondContact OD1-NH2 2.81Å; D470-R483 IonicContact OD2-NH1 3.03Å
471	Q	98.1	Very high	98.1	Very high	80 Å²	80	46.8 Å²	46.8	37%	0.374	28%	0.276	S	S	.	.	H	α-helix	trans	-58.8	-51.2	172.4	-177.1	-171.9	-19.7	0	0	110.9	S467 Y468 S469 I473 S474 E475	S467-Q471 PolarHBondContact O-N 2.99Å; S467-Q471 VanDerWaalsContact O-N 3.15Å; Y468-Q471 WeakPolarHBondContact O-CB 3.31Å; Y468-Q471 PolarHBondContact O-N 3.48Å; S469-Q471 VanDerWaalsContact C-N 3.31Å; S469-Q471 PolarHBondContact O-N 3.33Å; Q471-I473 VanDerWaalsContact C-N 3.27Å; Q471-I473 PolarHBondContact O-N 3.47Å; Q471-S474 PolarHBondContact O-N 2.88Å; Q471-S474 VanDerWaalsContact O-N 3.09Å; Q471-S474 PolarHBondContact O-OG 3.21Å; Q471-E475 WeakPolarHBondContact CG-OE1 3.21Å; Q471-E475 PolarHBondContact NE2-OE1 3.07Å; Q471-E475 WeakPolarHBondContact O-CG 3.26Å; Q471-E475 PolarHBondContact O-N 2.93Å
472	L	98.4	Very high	98.2	Very high	0 Å²	0	48 Å²	48	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.8	-33.5	179.3	-62.3	-170.7	0	0	0	113	K169 A173 Y468 S469 E475 G476 L477 M478	K169-L472 HydrophobicContact CB-CD1 4.3Å; K169-L472 HydrophobicContact CB-CD2 3.93Å; K169-L472 HydrophobicContact CD-CD2 3.97Å; K169-L472 HydrophobicContact CG-CD2 4.46Å; A173-L472 HydrophobicContact CB-CD1 3.62Å; Y468-L472 HydrophobicContact CD1-CD1 4.33Å; Y468-L472 HydrophobicContact CE1-CD1 3.85Å; Y468-L472 HydrophobicContact CE1-CD2 4.39Å; Y468-L472 HydrophobicContact CE1-CG 4.17Å; Y468-L472 HydrophobicContact CE2-CD2 4.33Å; Y468-L472 PolarHBondContact O-N 3.22Å; S469-L472 PolarHBondContact O-N 2.86Å; L472-E475 PolarHBondContact O-N 2.84Å; L472-G476 PolarHBondContact O-N 3.03Å; L472-L477 HydrophobicContact CB-CB 4.37Å; L472-L477 HydrophobicContact CD2-CD1 4.1Å; L472-L477 PolarHBondContact O-N 2.84Å; L472-M478 HydrophobicContact CB-CB 4.01Å; L472-M478 PolarHBondContact O-N 2.74Å
473	I	98.5	Very high	98.2	Very high	47 Å²	47	45.5 Å²	45.5	24%	0.241	27%	0.271	C	S	.	.	H	α-helix	trans	-65.6	-43.8	173.5	-68.5	163.9	0	0	0	110.5	S469 D470 Q471 E475 G476 M478	S469-I473 VanDerWaalsContact O-CG1 3.25Å; S469-I473 WeakPolarHBondContact O-CG1 3.33Å; S469-I473 PolarHBondContact O-N 2.93Å; D470-I473 PolarHBondContact O-N 2.96Å; Q471-I473 VanDerWaalsContact C-N 3.27Å; Q471-I473 PolarHBondContact O-N 3.47Å; I473-E475 VanDerWaalsContact C-N 3.27Å; I473-E475 PolarHBondContact O-N 3.48Å; I473-G476 PolarHBondContact O-N 3.2Å; I473-M478 WeakPolarHBondContact CA-O 3.41Å; I473-M478 HydrophobicContact CG1-CB 4.18Å; I473-M478 WeakPolarHBondContact CG1-O 3.28Å
474	S	98.3	Very high	98.2	Very high	100 Å²	100	47 Å²	47	70%	0.699	29%	0.285	S	S	*	.	H	α-helix	trans	-64.8	-31.2	176.5	79.5	0	0	0	0	113.1	D470 Q471 G476	D470-S474 PolarHBondContact O-N 3.39Å; Q471-S474 PolarHBondContact O-N 2.88Å; Q471-S474 VanDerWaalsContact O-N 3.09Å; Q471-S474 PolarHBondContact O-OG 3.21Å; S474-G476 PolarHBondContact O-N 3.02Å
475	E	97.4	Very high	98.2	Very high	83 Å²	83	52.6 Å²	52.6	39%	0.388	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-5.8	174.1	-68.8	177.5	-164.7	0	0	112.7	K169 Q471 L472 I473 L477	K169-E475 IonicContact NZ-OE1 3.11Å; K169-E475 IonicContact NZ-OE2 3.75Å; K169-E475 PolarHBondContact NZ-OE2 3.49Å; Q471-E475 WeakPolarHBondContact CG-OE1 3.21Å; Q471-E475 PolarHBondContact NE2-OE1 3.07Å; Q471-E475 WeakPolarHBondContact O-CG 3.26Å; Q471-E475 PolarHBondContact O-N 2.93Å; L472-E475 PolarHBondContact O-N 2.84Å; I473-E475 VanDerWaalsContact C-N 3.27Å; I473-E475 PolarHBondContact O-N 3.48Å; E475-L477 HydrophobicContact CB-CD1 4.18Å; E475-L477 HydrophobicContact CB-CG 3.99Å; E475-L477 PolarHBondContact O-N 3.04Å; E475-L477 WeakPolarHBondContact OE2-CD1 3.26Å
476	G	97.9	Very high	98.2	Very high	66 Å²	66	54 Å²	54	68%	0.68	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	14.4	-176.2	0	0	0	0	0	114	L472 I473 S474	L472-G476 PolarHBondContact O-N 3.03Å; I473-G476 PolarHBondContact O-N 3.2Å; S474-G476 PolarHBondContact O-N 3.02Å
477	L	97.9	Very high	98.2	Very high	39 Å²	39	54.4 Å²	54.4	20%	0.204	32%	0.319	C	S	.	.	S	Bend	trans	-86.3	-23.5	179.4	-62.5	-178.5	0	0	0	112.2	P166 K169 K170 L472 E475	P166-L477 HydrophobicContact CB-CD2 4.1Å; P166-L477 HydrophobicContact CG-CD2 4.25Å; K169-L477 HydrophobicContact CD-CD1 3.69Å; K170-L477 WeakPolarHBondContact CE-O 3.32Å; K170-L477 PolarHBondContact NZ-O 3.18Å; L472-L477 HydrophobicContact CB-CB 4.37Å; L472-L477 HydrophobicContact CD2-CD1 4.1Å; L472-L477 PolarHBondContact O-N 2.84Å; E475-L477 HydrophobicContact CB-CD1 4.18Å; E475-L477 HydrophobicContact CB-CG 3.99Å; E475-L477 PolarHBondContact O-N 3.04Å; E475-L477 WeakPolarHBondContact OE2-CD1 3.26Å
478	M	97.8	Very high	98.2	Very high	9 Å²	9	54.6 Å²	54.6	4%	0.044	32%	0.32	C	S	.	.	S	Bend	trans	-137.9	160.4	178.5	-157.4	171.8	101.4	0	0	110.3	L177 L472 I473 E482 R483	L177-M478 HydrophobicContact CD1-CE 4.25Å; L472-M478 HydrophobicContact CB-CB 4.01Å; L472-M478 PolarHBondContact O-N 2.74Å; I473-M478 WeakPolarHBondContact CA-O 3.41Å; I473-M478 HydrophobicContact CG1-CB 4.18Å; I473-M478 WeakPolarHBondContact CG1-O 3.28Å; M478-E482 VanDerWaalsContact CA-OE2 3.29Å; M478-E482 WeakPolarHBondContact CA-OE2 3.5Å; M478-E482 HydrophobicContact CG-CB 4.02Å; M478-E482 WeakPolarHBondContact CG-OE2 3.42Å; M478-R483 HydrophobicContact CE-CB 3.36Å; M478-R483 HydrophobicContact CE-CG 3.87Å
479	T	98.1	Very high	98.2	Very high	70 Å²	70	57 Å²	57	43%	0.429	34%	0.338	S	S	.	.			trans	-114.2	159.6	171.8	68.9	0	0	0	0	112	A481 E482 R483	T479-A481 PolarHBondContact O-N 3.42Å; T479-E482 PolarHBondContact N-OE2 2.89Å; T479-E482 PolarHBondContact O-N 3.23Å; T479-E482 VanDerWaalsContact OG1-CG 3.31Å; T479-E482 WeakPolarHBondContact OG1-CG 3.39Å; T479-E482 PolarHBondContact OG1-N 3.18Å; T479-E482 VanDerWaalsContact OG1-N 3.17Å; T479-R483 PolarHBondContact O-N 3.27Å
480	E	97.9	Very high	98.2	Very high	98 Å²	98	58.8 Å²	58.8	46%	0.458	34%	0.344	S	S	.	.	H	α-helix	trans	-57.4	-37.2	173.3	-170.3	59.3	-140.2	0	0	112.1	R483 A484	E480-R483 WeakPolarHBondContact O-CB 2.98Å; E480-R483 PolarHBondContact O-N 3.03Å; E480-R483 IonicContact OE1-CZ 2.72Å; E480-R483 VanDerWaalsContact OE1-CZ 3.26Å; E480-R483 IonicContact OE1-NE 2.78Å; E480-R483 PolarHBondContact OE1-NE 3.13Å; E480-R483 IonicContact OE1-NH2 2.74Å; E480-R483 PolarHBondContact OE1-NH2 2.98Å; E480-R483 IonicContact OE2-CZ 3.81Å; E480-R483 IonicContact OE2-NE 3.39Å; E480-R483 IonicContact OE2-NH2 3.08Å; E480-R483 PolarHBondContact OE2-NH2 3.43Å; E480-A484 WeakPolarHBondContact O-CB 3.48Å; E480-A484 PolarHBondContact O-N 3.25Å
481	A	98.2	Very high	98.3	Very high	73 Å²	73	58.4 Å²	58.4	60%	0.603	34%	0.339	S	S	*	.	H	α-helix	trans	-66	-42.7	177.7	0	0	0	0	0	111.7	T479 R483 A484 E485	T479-A481 PolarHBondContact O-N 3.42Å; A481-R483 VanDerWaalsContact C-N 3.34Å; A481-R483 PolarHBondContact O-N 3.13Å; A481-A484 PolarHBondContact O-N 2.88Å; A481-E485 WeakPolarHBondContact O-CB 3.46Å; A481-E485 PolarHBondContact O-N 3.35Å
482	E	98	Very high	98.3	Very high	84 Å²	84	56 Å²	56	39%	0.393	34%	0.336	S	S	.	.	H	α-helix	trans	-62.4	-41.1	174.3	-72.8	170.6	162.2	0	0	111.5	M478 T479 E485 I486	M478-E482 VanDerWaalsContact CA-OE2 3.29Å; M478-E482 WeakPolarHBondContact CA-OE2 3.5Å; M478-E482 HydrophobicContact CG-CB 4.02Å; M478-E482 WeakPolarHBondContact CG-OE2 3.42Å; T479-E482 PolarHBondContact N-OE2 2.89Å; T479-E482 PolarHBondContact O-N 3.23Å; T479-E482 VanDerWaalsContact OG1-CG 3.31Å; T479-E482 WeakPolarHBondContact OG1-CG 3.39Å; T479-E482 PolarHBondContact OG1-N 3.18Å; T479-E482 VanDerWaalsContact OG1-N 3.17Å; E482-E485 PolarHBondContact O-N 2.97Å; E482-I486 WeakPolarHBondContact O-CG1 3.44Å; E482-I486 PolarHBondContact O-N 3.49Å
483	R	98.3	Very high	98.3	Very high	30 Å²	30	58.3 Å²	58.3	11%	0.113	35%	0.354	C	S	.	.	H	α-helix	trans	-57.7	-52.4	174.6	-173.8	165.6	68.5	177.5	-4.7	111.7	L177 S469 D470 M478 T479 E480 A481 E485 I486 K487	L177-R483 HydrophobicContact CD1-CG 4.22Å; L177-R483 HydrophobicContact CD2-CG 4.31Å; S469-R483 WeakPolarHBondContact OG-CD 3.48Å; S469-R483 PolarHBondContact OG-NH1 3.26Å; D470-R483 IonicContact OD1-CZ 3.28Å; D470-R483 IonicContact OD1-NH1 3.7Å; D470-R483 PolarHBondContact OD1-NH1 3.13Å; D470-R483 IonicContact OD1-NH2 3.52Å; D470-R483 PolarHBondContact OD1-NH2 2.81Å; D470-R483 IonicContact OD2-NH1 3.03Å; M478-R483 HydrophobicContact CE-CB 3.36Å; M478-R483 HydrophobicContact CE-CG 3.87Å; T479-R483 PolarHBondContact O-N 3.27Å; E480-R483 WeakPolarHBondContact O-CB 2.98Å; E480-R483 PolarHBondContact O-N 3.03Å; E480-R483 IonicContact OE1-CZ 2.72Å; E480-R483 VanDerWaalsContact OE1-CZ 3.26Å; E480-R483 IonicContact OE1-NE 2.78Å; E480-R483 PolarHBondContact OE1-NE 3.13Å; E480-R483 IonicContact OE1-NH2 2.74Å; E480-R483 PolarHBondContact OE1-NH2 2.98Å; E480-R483 IonicContact OE2-CZ 3.81Å; E480-R483 IonicContact OE2-NE 3.39Å; E480-R483 IonicContact OE2-NH2 3.08Å; E480-R483 PolarHBondContact OE2-NH2 3.43Å; A481-R483 VanDerWaalsContact C-N 3.34Å; A481-R483 PolarHBondContact O-N 3.13Å; R483-E485 VanDerWaalsContact C-N 3.28Å; R483-E485 PolarHBondContact O-N 2.86Å; R483-I486 PolarHBondContact O-N 3.22Å; R483-K487 PolarHBondContact O-N 3.35Å
484	A	98.3	Very high	98.3	Very high	52 Å²	52	56.3 Å²	56.3	43%	0.43	34%	0.344	S	S	.	.	H	α-helix	trans	-62.7	-38.5	-177.9	0	0	0	0	0	111.3	E480 A481 K487 S488	E480-A484 WeakPolarHBondContact O-CB 3.48Å; E480-A484 PolarHBondContact O-N 3.25Å; A481-A484 PolarHBondContact O-N 2.88Å; A484-K487 PolarHBondContact O-N 2.82Å; A484-S488 WeakPolarHBondContact O-CB 3.3Å; A484-S488 PolarHBondContact O-N 2.82Å; A484-S488 PolarHBondContact O-OG 2.77Å; A484-S488 VanDerWaalsContact O-OG 3.13Å
485	E	98.6	Very high	98.3	Very high	119 Å²	119	53.9 Å²	53.9	56%	0.556	32%	0.324	S	S	*	.	H	α-helix	trans	-66.1	-41.6	177.5	-176.4	58.2	-157.1	0	0	112.5	A481 E482 R483 K487 S488 S489	A481-E485 WeakPolarHBondContact O-CB 3.46Å; A481-E485 PolarHBondContact O-N 3.35Å; E482-E485 PolarHBondContact O-N 2.97Å; R483-E485 VanDerWaalsContact C-N 3.28Å; R483-E485 PolarHBondContact O-N 2.86Å; E485-K487 VanDerWaalsContact C-N 3.31Å; E485-K487 PolarHBondContact O-N 3.34Å; E485-S488 WeakPolarHBondContact CA-OG 3.45Å; E485-S488 PolarHBondContact O-N 3.39Å; E485-S488 PolarHBondContact O-OG 2.93Å; E485-S489 WeakPolarHBondContact O-CB 3.34Å; E485-S489 PolarHBondContact O-N 3.32Å; E485-S489 PolarHBondContact O-OG 3.04Å
486	I	98.6	Very high	98.3	Very high	30 Å²	30	55.4 Å²	55.4	15%	0.154	33%	0.334	C	S	.	.	H	α-helix	trans	-58	-46.8	175.3	-70.2	164.9	0	0	0	110.2	K174 L177 E178 E482 R483 S489 Y490	K174-I486 HydrophobicContact CB-CD1 4.28Å; K174-I486 HydrophobicContact CG-CD1 4.38Å; K174-I486 HydrophobicContact CG-CG2 4.08Å; L177-I486 HydrophobicContact CB-CG2 3.97Å; L177-I486 HydrophobicContact CD1-CD1 4.31Å; L177-I486 HydrophobicContact CD1-CG2 4.36Å; E178-I486 HydrophobicContact CG-CG2 4.13Å; E482-I486 WeakPolarHBondContact O-CG1 3.44Å; E482-I486 PolarHBondContact O-N 3.49Å; R483-I486 PolarHBondContact O-N 3.22Å; I486-S489 PolarHBondContact O-OG 3.41Å; I486-Y490 WeakPolarHBondContact O-CB 3.29Å; I486-Y490 PolarHBondContact O-N 3.15Å
487	K	98.7	Very high	98.3	Very high	41 Å²	41	56.7 Å²	56.7	18%	0.178	32%	0.321	C	S	.	.	H	α-helix	trans	-64.6	-53.5	178.7	-68.3	-174	-179.3	-175.6	0	111.7	L177 E181 D466 R483 A484 E485 S489 Y490 Y491	L177-K487 VanDerWaalsContact CD2-CE 3.42Å; E181-K487 HydrophobicContact CG-CB 4.32Å; E181-K487 WeakPolarHBondContact CG-O 3.07Å; E181-K487 WeakPolarHBondContact OE2-CB 3.42Å; E181-K487 WeakPolarHBondContact OE2-CG 3.34Å; D466-K487 WeakPolarHBondContact OD1-CE 3.35Å; D466-K487 IonicContact OD1-NZ 2.9Å; D466-K487 PolarHBondContact OD1-NZ 3.29Å; D466-K487 IonicContact OD2-NZ 2.91Å; R483-K487 PolarHBondContact O-N 3.35Å; A484-K487 PolarHBondContact O-N 2.82Å; E485-K487 VanDerWaalsContact C-N 3.31Å; E485-K487 PolarHBondContact O-N 3.34Å; K487-S489 PolarHBondContact O-N 3.46Å; K487-Y490 PolarHBondContact O-N 2.85Å; K487-Y491 WeakPolarHBondContact O-CB 3.44Å; K487-Y491 PolarHBondContact O-N 3.36Å
488	S	98.4	Very high	98.3	Very high	63 Å²	63	56.3 Å²	56.3	44%	0.441	32%	0.319	S	S	.	.	H	α-helix	trans	-63.2	-42	-175.4	66.2	0	0	0	0	112.3	A484 E485 G492	A484-S488 WeakPolarHBondContact O-CB 3.3Å; A484-S488 PolarHBondContact O-N 2.82Å; A484-S488 PolarHBondContact O-OG 2.77Å; A484-S488 VanDerWaalsContact O-OG 3.13Å; E485-S488 WeakPolarHBondContact CA-OG 3.45Å; E485-S488 PolarHBondContact O-N 3.39Å; E485-S488 PolarHBondContact O-OG 2.93Å; S488-G492 PolarHBondContact O-N 3.45Å
489	S	98.5	Very high	98.2	Very high	57 Å²	57	59.9 Å²	59.9	40%	0.399	35%	0.345	S	S	.	.	H	α-helix	trans	-66.5	-43	179.5	62.7	0	0	0	0	111.9	E485 I486 K487 G492 A493	E485-S489 WeakPolarHBondContact O-CB 3.34Å; E485-S489 PolarHBondContact O-N 3.32Å; E485-S489 PolarHBondContact O-OG 3.04Å; I486-S489 PolarHBondContact O-OG 3.41Å; K487-S489 PolarHBondContact O-N 3.46Å; S489-G492 PolarHBondContact O-N 3.26Å; S489-A493 WeakPolarHBondContact O-CB 3.44Å; S489-A493 PolarHBondContact O-N 3.39Å
490	Y	98.6	Very high	97.9	Very high	37 Å²	37	58 Å²	58	15%	0.145	34%	0.339	C	S	.	.	H	α-helix	trans	-68.3	-42.6	178.4	-162.5	-102.3	0	0	0	111.9	E178 E181 F182 I486 K487 G492 A493 L494	E178-Y490 HydrophobicContact CB-CD1 4.04Å; E178-Y490 HydrophobicContact CB-CD2 4.02Å; E178-Y490 HydrophobicContact CB-CE1 4.05Å; E178-Y490 HydrophobicContact CB-CE2 4.04Å; E178-Y490 HydrophobicContact CB-CG 4.02Å; E178-Y490 HydrophobicContact CG-CD1 4.29Å; E178-Y490 HydrophobicContact CG-CD2 3.61Å; E178-Y490 HydrophobicContact CG-CE2 4.02Å; E178-Y490 HydrophobicContact CG-CG 3.76Å; E178-Y490 WeakPolarHBondContact O-CE1 3.31Å; E181-Y490 HydrophobicContact CB-CD1 4.31Å; F182-Y490 HydrophobicContact CB-CE1 4.07Å; I486-Y490 WeakPolarHBondContact O-CB 3.29Å; I486-Y490 PolarHBondContact O-N 3.15Å; K487-Y490 PolarHBondContact O-N 2.85Å; Y490-G492 VanDerWaalsContact C-N 3.34Å; Y490-G492 PolarHBondContact O-N 2.88Å; Y490-A493 PolarHBondContact O-N 2.86Å; Y490-L494 HydrophobicContact CD1-CD1 3.9Å; Y490-L494 HydrophobicContact CD1-CG 4.33Å; Y490-L494 HydrophobicContact CE1-CD1 3.75Å; Y490-L494 HydrophobicContact CE1-CD2 4.44Å; Y490-L494 HydrophobicContact CE1-CG 4.16Å; Y490-L494 WeakPolarHBondContact O-CG 3.42Å; Y490-L494 PolarHBondContact O-N 3.31Å
491	Y	98.8	Very high	97.7	Very high	49 Å²	49	54.2 Å²	54.2	19%	0.192	32%	0.322	C	S	.	.	H	α-helix	trans	-59.9	-44.2	173	-167.5	-76.8	0	0	0	111.7	E181 H184 F185 T188 K487 L494 N495	E181-Y491 HydrophobicContact CG-CD2 4.35Å; E181-Y491 WeakPolarHBondContact OE1-CD2 3.49Å; H184-Y491 AromaticContact CD2-CE2 3.79Å; F185-Y491 HydrophobicContact CB-CD2 3.98Å; F185-Y491 HydrophobicContact CB-CE2 3.92Å; F185-Y491 HydrophobicContact CD2-CD1 4.06Å; F185-Y491 AromaticContact CD2-CD2 3.86Å; F185-Y491 HydrophobicContact CD2-CD2 3.86Å; F185-Y491 AromaticContact CD2-CE1 3.84Å; F185-Y491 HydrophobicContact CD2-CE1 3.84Å; F185-Y491 AromaticContact CD2-CE2 3.7Å; F185-Y491 HydrophobicContact CD2-CE2 3.7Å; F185-Y491 HydrophobicContact CD2-CG 4.06Å; F185-Y491 AromaticContact CD2-CZ 3.67Å; F185-Y491 HydrophobicContact CE2-CE1 4.19Å; F185-Y491 HydrophobicContact CG-CD2 4.44Å; F185-Y491 HydrophobicContact CG-CE2 4.27Å; T188-Y491 WeakPolarHBondContact CG2-OH 3.31Å; K487-Y491 WeakPolarHBondContact O-CB 3.44Å; K487-Y491 PolarHBondContact O-N 3.36Å; Y491-L494 PolarHBondContact O-N 3.27Å; Y491-N495 WeakPolarHBondContact O-CB 3.46Å; Y491-N495 PolarHBondContact O-N 3.03Å
492	G	98.6	Very high	97.1	Very high	29 Å²	29	56.4 Å²	56.4	30%	0.299	33%	0.328	S	S	.	.	H	α-helix	trans	-57.5	-48.2	175.3	0	0	0	0	0	112	S488 S489 Y490 L494 N495 D496	S488-G492 PolarHBondContact O-N 3.45Å; S489-G492 PolarHBondContact O-N 3.26Å; Y490-G492 VanDerWaalsContact C-N 3.34Å; Y490-G492 PolarHBondContact O-N 2.88Å; G492-L494 PolarHBondContact O-N 3.32Å; G492-N495 WeakPolarHBondContact O-CB 3.34Å; G492-N495 PolarHBondContact O-N 3.39Å; G492-N495 VanDerWaalsContact O-N 3.1Å; G492-D496 PolarHBondContact O-N 2.93Å
493	A	98.3	Very high	96.7	Very high	48 Å²	48	60 Å²	60	40%	0.397	35%	0.349	S	S	.	.	H	α-helix	trans	-59.3	-44.1	176.9	0	0	0	0	0	112.4	S489 Y490 N495 D496 K497	S489-A493 WeakPolarHBondContact O-CB 3.44Å; S489-A493 PolarHBondContact O-N 3.39Å; Y490-A493 PolarHBondContact O-N 2.86Å; A493-N495 VanDerWaalsContact C-N 3.31Å; A493-N495 PolarHBondContact O-N 2.73Å; A493-D496 PolarHBondContact O-N 3.06Å; A493-K497 WeakPolarHBondContact O-CG 3.33Å; A493-K497 PolarHBondContact O-N 3.12Å
494	L	98.5	Very high	96.4	Very high	5 Å²	5	60.9 Å²	60.9	3%	0.026	35%	0.353	C	S	.	.	H	α-helix	trans	-64	-36.8	175.2	-67.5	174.1	0	0	0	112.2	F182 F185 P244 F248 Y490 Y491 G492 K497 L498	F182-L494 HydrophobicContact CB-CD1 4.44Å; F182-L494 HydrophobicContact CD2-CD1 3.94Å; F182-L494 HydrophobicContact CD2-CD2 4.16Å; F185-L494 HydrophobicContact CB-CD1 3.79Å; F185-L494 HydrophobicContact CD1-CB 4.01Å; F185-L494 HydrophobicContact CD1-CD1 4.11Å; F185-L494 HydrophobicContact CD2-CB 3.75Å; F185-L494 HydrophobicContact CD2-CD1 4.32Å; F185-L494 HydrophobicContact CE1-CB 3.99Å; F185-L494 HydrophobicContact CE2-CB 3.72Å; F185-L494 HydrophobicContact CG-CB 3.9Å; F185-L494 HydrophobicContact CG-CD1 3.82Å; F185-L494 HydrophobicContact CZ-CB 3.83Å; F185-L494 WeakPolarHBondContact CZ-O 3.05Å; P244-L494 HydrophobicContact CB-CD2 4.23Å; P244-L494 HydrophobicContact CG-CD2 4.22Å; F248-L494 HydrophobicContact CZ-CD2 4.31Å; Y490-L494 HydrophobicContact CD1-CD1 3.9Å; Y490-L494 HydrophobicContact CD1-CG 4.33Å; Y490-L494 HydrophobicContact CE1-CD1 3.75Å; Y490-L494 HydrophobicContact CE1-CD2 4.44Å; Y490-L494 HydrophobicContact CE1-CG 4.16Å; Y490-L494 WeakPolarHBondContact O-CG 3.42Å; Y490-L494 PolarHBondContact O-N 3.31Å; Y491-L494 PolarHBondContact O-N 3.27Å; G492-L494 PolarHBondContact O-N 3.32Å; L494-K497 WeakPolarHBondContact O-CB 3.35Å; L494-K497 PolarHBondContact O-N 3.15Å; L494-L498 WeakPolarHBondContact O-CB 3.22Å; L494-L498 PolarHBondContact O-N 2.91Å
495	N	98.3	Very high	96	Very high	50 Å²	50	62.9 Å²	62.9	27%	0.267	36%	0.363	S	S	.	.	H	α-helix	trans	-66.6	-38.5	176.8	-168.2	81	0	0	0	112	F185 K189 Y491 G492 A493 L498 S499	F185-N495 HydrophobicContact CE2-CB 3.93Å; K189-N495 WeakPolarHBondContact CE-OD1 3.44Å; K189-N495 PolarHBondContact NZ-OD1 3.27Å; Y491-N495 WeakPolarHBondContact O-CB 3.46Å; Y491-N495 PolarHBondContact O-N 3.03Å; G492-N495 WeakPolarHBondContact O-CB 3.34Å; G492-N495 PolarHBondContact O-N 3.39Å; G492-N495 VanDerWaalsContact O-N 3.1Å; A493-N495 VanDerWaalsContact C-N 3.31Å; A493-N495 PolarHBondContact O-N 2.73Å; N495-L498 PolarHBondContact O-N 2.9Å; N495-S499 WeakPolarHBondContact O-CB 3.33Å; N495-S499 PolarHBondContact O-N 3.39Å; N495-S499 PolarHBondContact O-OG 3.13Å
496	D	97.8	Very high	95.7	Very high	115 Å²	115	57.6 Å²	57.6	62%	0.615	34%	0.339	S	S	*	.	H	α-helix	trans	-63.4	-43.8	173.5	-69	-16.4	0	0	0	110.9	G492 A493 L498 S499 G500	G492-D496 PolarHBondContact O-N 2.93Å; A493-D496 PolarHBondContact O-N 3.06Å; D496-L498 PolarHBondContact O-N 3.22Å; D496-S499 WeakPolarHBondContact O-CB 3.4Å; D496-S499 PolarHBondContact O-N 2.99Å; D496-S499 VanDerWaalsContact O-N 3.17Å; D496-G500 PolarHBondContact O-N 3.26Å
497	K	97.4	Very high	95.1	Very high	92 Å²	92	59.1 Å²	59.1	40%	0.4	35%	0.351	S	S	.	.	H	α-helix	trans	-61.1	-43.2	175.6	-65.2	-74.2	173	-170	0	112.1	P244 E245 F248 A493 L494 S499 G500 M501	P244-K497 HydrophobicContact CB-CB 4.27Å; E245-K497 HydrophobicContact CG-CB 4.27Å; E245-K497 HydrophobicContact CG-CD 4.17Å; E245-K497 WeakPolarHBondContact CG-O 3.44Å; E245-K497 WeakPolarHBondContact OE1-CD 3.48Å; E245-K497 WeakPolarHBondContact OE1-CE 3.4Å; E245-K497 IonicContact OE1-NZ 2.66Å; E245-K497 PolarHBondContact OE1-NZ 3.4Å; E245-K497 WeakPolarHBondContact OE2-CD 3.43Å; F248-K497 HydrophobicContact CE2-CB 4.02Å; A493-K497 WeakPolarHBondContact O-CG 3.33Å; A493-K497 PolarHBondContact O-N 3.12Å; L494-K497 WeakPolarHBondContact O-CB 3.35Å; L494-K497 PolarHBondContact O-N 3.15Å; K497-S499 VanDerWaalsContact C-N 3.31Å; K497-S499 PolarHBondContact O-N 3.47Å; K497-G500 PolarHBondContact O-N 3.43Å; K497-M501 PolarHBondContact O-N 2.83Å; K497-M501 VanDerWaalsContact O-N 3.15Å
498	L	97.8	Very high	94.3	Very high	31 Å²	31	60.9 Å²	60.9	16%	0.162	37%	0.367	C	S	.	.	H	α-helix	trans	-62.8	-39.1	174.8	-178.9	60	0	0	0	112	F185 K189 F190 F248 L494 N495 D496 G500 M501	F185-L498 HydrophobicContact CE1-CD2 4.33Å; F185-L498 HydrophobicContact CZ-CB 4Å; F185-L498 HydrophobicContact CZ-CD2 3.83Å; K189-L498 HydrophobicContact CB-CD2 4.03Å; K189-L498 HydrophobicContact CD-CD2 4.05Å; K189-L498 HydrophobicContact CG-CD2 3.92Å; F190-L498 HydrophobicContact CE2-CD1 4.14Å; F190-L498 HydrophobicContact CE2-CD2 4.44Å; F190-L498 HydrophobicContact CZ-CD1 3.62Å; F248-L498 HydrophobicContact CB-CD1 4.02Å; F248-L498 HydrophobicContact CD2-CB 3.94Å; F248-L498 HydrophobicContact CD2-CD1 3.85Å; F248-L498 HydrophobicContact CE2-CB 3.88Å; F248-L498 HydrophobicContact CG-CD1 3.96Å; L494-L498 WeakPolarHBondContact O-CB 3.22Å; L494-L498 PolarHBondContact O-N 2.91Å; N495-L498 PolarHBondContact O-N 2.9Å; D496-L498 PolarHBondContact O-N 3.22Å; L498-G500 VanDerWaalsContact C-N 3.33Å; L498-M501 HydrophobicContact CD1-SD 4.32Å; L498-M501 WeakPolarHBondContact O-CB 3.49Å; L498-M501 PolarHBondContact O-N 2.88Å
499	S	96	Very high	93.6	Very high	85 Å²	85	61.4 Å²	61.4	59%	0.594	37%	0.368	S	S	*	.	H	α-helix	trans	-66.8	-34.7	177.9	-56.9	0	0	0	0	112.2	N495 D496 K497	N495-S499 WeakPolarHBondContact O-CB 3.33Å; N495-S499 PolarHBondContact O-N 3.39Å; N495-S499 PolarHBondContact O-OG 3.13Å; D496-S499 WeakPolarHBondContact O-CB 3.4Å; D496-S499 PolarHBondContact O-N 2.99Å; D496-S499 VanDerWaalsContact O-N 3.17Å; K497-S499 VanDerWaalsContact C-N 3.31Å; K497-S499 PolarHBondContact O-N 3.47Å
500	G	92.7	Very high	92.8	Very high	29 Å²	29	60.2 Å²	60.2	30%	0.299	36%	0.356	S	S	.	.	H	α-helix	trans	-81.5	-6.3	175.7	0	0	0	0	0	115.5	D496 K497 L498 T502 L503 Y504	D496-G500 PolarHBondContact O-N 3.26Å; K497-G500 PolarHBondContact O-N 3.43Å; L498-G500 VanDerWaalsContact C-N 3.33Å; G500-T502 VanDerWaalsContact C-N 3.27Å; G500-T502 PolarHBondContact O-N 3.4Å; G500-T502 VanDerWaalsContact O-N 3.17Å; G500-L503 PolarHBondContact O-N 3.37Å; G500-Y504 PolarHBondContact O-N 3.49Å
501	M	93.5	Very high	92	Very high	20 Å²	20	60.2 Å²	60.2	10%	0.099	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-56.9	-35.1	-172.3	-176.8	-161.6	69	0	0	113.7	F248 R249 R252 K497 L498 L503 Y504	F248-M501 VanDerWaalsContact C-SD 3.51Å; F248-M501 HydrophobicContact CB-CG 4.1Å; F248-M501 HydrophobicContact CB-SD 3.52Å; F248-M501 VanDerWaalsContact CB-SD 3.52Å; R249-M501 HydrophobicContact CG-CG 3.72Å; R249-M501 HydrophobicContact CG-SD 4.21Å; R252-M501 HydrophobicContact CG-CE 4.21Å; R252-M501 HydrophobicContact CG-SD 4.3Å; K497-M501 PolarHBondContact O-N 2.83Å; K497-M501 VanDerWaalsContact O-N 3.15Å; L498-M501 HydrophobicContact CD1-SD 4.32Å; L498-M501 WeakPolarHBondContact O-CB 3.49Å; L498-M501 PolarHBondContact O-N 2.88Å; M501-L503 VanDerWaalsContact C-N 3.25Å; M501-L503 PolarHBondContact O-N 2.87Å; M501-Y504 WeakPolarHBondContact O-CB 3.38Å; M501-Y504 PolarHBondContact O-N 3.02Å
502	T	85.3	Confident	91.1	Very high	118 Å²	118	63.6 Å²	63.6	72%	0.724	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-68.7	-24.4	-179.4	51.8	0	0	0	0	113.2	G500	G500-T502 VanDerWaalsContact C-N 3.27Å; G500-T502 PolarHBondContact O-N 3.4Å; G500-T502 VanDerWaalsContact O-N 3.17Å
503	L	90	Very high	90.6	Very high	159 Å²	159	65.7 Å²	65.7	83%	0.832	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-90.2	-10.7	176.3	-59.3	175.9	0	0	0	112.2	G500 M501	G500-L503 PolarHBondContact O-N 3.37Å; M501-L503 VanDerWaalsContact C-N 3.25Å; M501-L503 PolarHBondContact O-N 2.87Å
504	Y	91.6	Very high	90	Very high	50 Å²	50	68.9 Å²	68.9	20%	0.196	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-80	121.7	-178.3	-176.2	-87.7	0	0	0	111.3	P243 E245 L246 R249 G500 M501	P243-Y504 HydrophobicContact CB-CE2 4.13Å; P243-Y504 VanDerWaalsContact CG-OH 3.25Å; P243-Y504 WeakPolarHBondContact CG-OH 3.46Å; E245-Y504 HydrophobicContact CB-CD1 4.02Å; E245-Y504 HydrophobicContact CB-CD2 3.68Å; E245-Y504 HydrophobicContact CB-CE2 4.28Å; E245-Y504 HydrophobicContact CB-CG 3.53Å; E245-Y504 HydrophobicContact CG-CD2 4.09Å; E245-Y504 HydrophobicContact CG-CG 4.28Å; L246-Y504 HydrophobicContact CB-CE1 3.77Å; L246-Y504 HydrophobicContact CD1-CE1 4.12Å; L246-Y504 HydrophobicContact CG-CE1 4.44Å; R249-Y504 PolarHBondContact NH1-O 2.84Å; G500-Y504 PolarHBondContact O-N 3.49Å; M501-Y504 WeakPolarHBondContact O-CB 3.38Å; M501-Y504 PolarHBondContact O-N 3.02Å
505	S	90.9	Very high	89.7	Confident	94 Å²	94	70.1 Å²	70.1	66%	0.657	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-103.7	125.6	171.2	-170.3	0	0	0	0	109.9
506	P	90.9	Very high	89.3	Confident	7 Å²	7	70 Å²	70	5%	0.045	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-60	138.3	176.2	-20.6	31.9	0	0	0	111.4	L246 E256 P258	L246-P506 HydrophobicContact CD1-CB 3.91Å; L246-P506 HydrophobicContact CD1-CG 3.85Å; E256-P506 VanDerWaalsContact O-CB 3.32Å; E256-P506 WeakPolarHBondContact O-CB 3.33Å; P258-P506 WeakPolarHBondContact CG-O 3.47Å
507	P	86.2	Confident	89	Confident	63 Å²	63	71.8 Å²	71.8	41%	0.409	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-72.9	151.6	172.6	30.8	-34	0	0	0	110.6	T509	P507-T509 PolarHBondContact O-N 3.33Å
508	P	83.3	Confident	88.9	Confident	77 Å²	77	68.3 Å²	68.3	50%	0.5	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-62.7	133.3	164.2	27.8	-32.5	0	0	0	108.6	P258 Q512	P258-P508 HydrophobicContact CG-CB 4.35Å; P508-Q512 PolarHBondContact O-NE2 3.3Å
509	T	82.6	Confident	88.8	Confident	75 Å²	75	69.8 Å²	69.8	46%	0.46	42%	0.42	S	S	.	.			trans	-111.2	-9.9	-175.1	53.7	0	0	0	0	113.5	P507	P507-T509 PolarHBondContact O-N 3.33Å
510	N	81.4	Confident	88.7	Confident	31 Å²	31	69.5 Å²	69.5	17%	0.166	41%	0.409	C	S	.	.	S	Bend	trans	-95.7	160.8	-176	65.9	-33.2	0	0	0	112.6	Q512 E520 L694	N510-Q512 WeakPolarHBondContact O-CG 3.41Å; N510-Q512 PolarHBondContact O-N 2.91Å; N510-E520 PolarHBondContact ND2-OE1 3.39Å; N510-L694 HydrophobicContact CB-CB 3.57Å; N510-L694 HydrophobicContact CB-CD1 4Å; N510-L694 HydrophobicContact CB-CG 4.35Å
511	L	82.2	Confident	88.8	Confident	38 Å²	38	69 Å²	69	20%	0.199	40%	0.401	C	S	.	.	S	Bend	trans	54.7	30.4	172.7	-52.9	176.2	0	0	0	114.1	W515 G516 L518 V519 E520 Q696	L511-W515 HydrophobicContact CD2-CB 4.37Å; L511-W515 HydrophobicContact CD2-CE3 4.42Å; L511-G516 VanDerWaalsContact O-CA 3.26Å; L511-G516 WeakPolarHBondContact O-CA 3.2Å; L511-G516 PolarHBondContact O-N 3.22Å; L511-L518 HydrophobicContact CD2-CB 4.06Å; L511-V519 VanDerWaalsContact CD1-C 3.45Å; L511-E520 HydrophobicContact CD1-CG 3.81Å; L511-Q696 HydrophobicContact CD2-CG 4.5Å
512	Q	80.9	Confident	88.7	Confident	119 Å²	119	72.7 Å²	72.7	56%	0.556	42%	0.418	S	S	*	.			trans	-92.7	163.5	175.5	-61.9	-172.8	-5.5	0	0	112.2	P508 N510 R514 W515	P508-Q512 PolarHBondContact O-NE2 3.3Å; N510-Q512 WeakPolarHBondContact O-CG 3.41Å; N510-Q512 PolarHBondContact O-N 2.91Å; Q512-R514 PolarHBondContact O-N 3.48Å; Q512-R514 VanDerWaalsContact O-N 3.16Å; Q512-W515 PolarHBondContact O-N 2.83Å; Q512-W515 VanDerWaalsContact O-N 3.08Å
513	G	87.3	Confident	89	Confident	73 Å²	73	70.8 Å²	70.8	75%	0.753	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	56	-119.6	175	0	0	0	0	0	111.9	W515 G516	G513-W515 PolarHBondContact O-N 3.19Å; G513-W515 VanDerWaalsContact O-N 3.16Å; G513-G516 PolarHBondContact O-N 3.34Å
514	R	85.8	Confident	89	Confident	115 Å²	115	71.1 Å²	71.1	43%	0.434	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-64.4	-18.6	-178	-69.8	-179.7	170.4	142.9	-6.9	114.1	L313 Q512 P661	L313-R514 VanDerWaalsContact CD1-CZ 3.44Å; Q512-R514 PolarHBondContact O-N 3.48Å; Q512-R514 VanDerWaalsContact O-N 3.16Å; R514-P661 WeakPolarHBondContact O-CG 3.22Å
515	W	91.9	Very high	88.9	Confident	32 Å²	32	71.2 Å²	71.2	12%	0.121	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-92.7	2.6	177.3	-68.4	77.6	0	0	0	112.8	L511 Q512 G513 D517 L518 I658 P661 Q696 R764	L511-W515 HydrophobicContact CD2-CB 4.37Å; L511-W515 HydrophobicContact CD2-CE3 4.42Å; Q512-W515 PolarHBondContact O-N 2.83Å; Q512-W515 VanDerWaalsContact O-N 3.08Å; G513-W515 PolarHBondContact O-N 3.19Å; G513-W515 VanDerWaalsContact O-N 3.16Å; W515-D517 PolarHBondContact O-N 3.35Å; W515-D517 VanDerWaalsContact O-N 3.17Å; W515-L518 HydrophobicContact CD2-CD1 4.21Å; W515-L518 HydrophobicContact CE3-CD1 3.34Å; W515-L518 HydrophobicContact CZ3-CD1 3.65Å; W515-L518 WeakPolarHBondContact O-CB 3.38Å; W515-L518 PolarHBondContact O-N 2.7Å; W515-I658 WeakPolarHBondContact CZ2-O 3.46Å; W515-P661 HydrophobicContact CD2-CB 4.02Å; W515-P661 HydrophobicContact CD2-CG 4.34Å; W515-P661 HydrophobicContact CE3-CB 4.14Å; W515-P661 HydrophobicContact CG-CG 4.44Å; W515-P661 HydrophobicContact CH2-CB 4.39Å; W515-P661 HydrophobicContact CZ2-CB 4.31Å; W515-P661 HydrophobicContact CZ3-CB 4.3Å; W515-Q696 HydrophobicContact CE3-CB 4.33Å; W515-Q696 HydrophobicContact CH2-CB 4.45Å; W515-Q696 WeakPolarHBondContact CH2-O 3.49Å; W515-Q696 HydrophobicContact CZ3-CB 3.71Å; W515-R764 HydrophobicContact CH2-CB 4.46Å; W515-R764 HydrophobicContact CH2-CG 4.13Å; W515-R764 HydrophobicContact CZ3-CB 4.07Å; W515-R764 HydrophobicContact CZ3-CG 3.75Å
516	G	89.4	Confident	88.9	Confident	47 Å²	47	68 Å²	68	49%	0.485	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-21	-174.8	0	0	0	0	0	116.1	L511 G513 L518	L511-G516 VanDerWaalsContact O-CA 3.26Å; L511-G516 WeakPolarHBondContact O-CA 3.2Å; L511-G516 PolarHBondContact O-N 3.22Å; G513-G516 PolarHBondContact O-N 3.34Å; G516-L518 VanDerWaalsContact C-N 3.31Å
517	D	91.6	Very high	88.8	Confident	153 Å²	153	72.7 Å²	72.7	82%	0.818	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-8.3	175.3	-61.5	-32.1	0	0	0	113	W515	W515-D517 PolarHBondContact O-N 3.35Å; W515-D517 VanDerWaalsContact O-N 3.17Å
518	L	95.6	Very high	88.9	Confident	19 Å²	19	72.6 Å²	72.6	10%	0.099	41%	0.406	C	S	.	.			trans	-97	158.9	178.3	-60.2	177.8	0	0	0	110.8	L511 W515 G516 P661 N762 R764	L511-L518 HydrophobicContact CD2-CB 4.06Å; W515-L518 HydrophobicContact CD2-CD1 4.21Å; W515-L518 HydrophobicContact CE3-CD1 3.34Å; W515-L518 HydrophobicContact CZ3-CD1 3.65Å; W515-L518 WeakPolarHBondContact O-CB 3.38Å; W515-L518 PolarHBondContact O-N 2.7Å; G516-L518 VanDerWaalsContact C-N 3.31Å; L518-P661 HydrophobicContact CD1-CB 3.53Å; L518-P661 HydrophobicContact CG-CB 4.45Å; L518-N762 CarbonylContact C-O 3.41Å; L518-N762 WeakPolarHBondContact CA-O 2.91Å; L518-N762 WeakPolarHBondContact CB-O 3.41Å; L518-N762 VanDerWaalsContact CD2-C 3.42Å; L518-N762 WeakPolarHBondContact CD2-O 3.29Å; L518-R764 HydrophobicContact CD1-CG 4.03Å
519	V	95.5	Very high	89.4	Confident	61 Å²	61	73.8 Å²	73.8	37%	0.37	41%	0.409	S	S	.	.			trans	-125.2	162.6	-176.6	-55.3	0	0	0	0	111.3	L511 Q696 N762 F763	L511-V519 VanDerWaalsContact CD1-C 3.45Å; V519-Q696 PolarHBondContact O-NE2 3.02Å; V519-N762 HydrophobicContact CG2-CB 4.39Å; V519-N762 VanDerWaalsContact CG2-ND2 3.28Å; V519-N762 WeakPolarHBondContact CG2-ND2 3.46Å; V519-N762 PolarHBondContact N-O 3.07Å; V519-F763 VanDerWaalsContact O-CB 3.28Å; V519-F763 WeakPolarHBondContact O-CB 3.21Å
520	E	94.6	Very high	90	Very high	79 Å²	79	70.4 Å²	70.4	37%	0.369	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-68.5	140.1	165.8	-65.5	-172.2	171.4	0	0	110.3	N510 L511	N510-E520 PolarHBondContact ND2-OE1 3.39Å; L511-E520 HydrophobicContact CD1-CG 3.81Å
521	P	94.3	Very high	90.5	Very high	19 Å²	19	69.8 Å²	69.8	12%	0.123	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-66.3	151.4	-179.5	27.3	-34.2	0	0	0	112.4	D736 F763	P521-D736 HydrophobicContact CB-CB 3.8Å; P521-D736 WeakPolarHBondContact CB-O 3.34Å; P521-F763 HydrophobicContact CB-CD2 4.03Å; P521-F763 HydrophobicContact CB-CE2 4.11Å; P521-F763 HydrophobicContact CB-CG 4.24Å; P521-F763 HydrophobicContact CB-CZ 4.4Å
522	Q	91.5	Very high	91	Very high	97 Å²	97	68.2 Å²	68.2	45%	0.453	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-93.2	157.7	-178.6	-63.3	-175.3	-14.7	0	0	112.2	R524 D736 T737	Q522-R524 HydrophobicContact CB-CG 4.23Å; Q522-R524 PolarHBondContact O-N 3.2Å; Q522-R524 VanDerWaalsContact OE1-NH2 3.14Å; Q522-D736 WeakPolarHBondContact O-CB 3.36Å; Q522-D736 PolarHBondContact O-N 3.49Å; Q522-D736 VanDerWaalsContact O-N 3.08Å; Q522-T737 PolarHBondContact O-N 3.39Å
523	A	91	Very high	91.6	Very high	78 Å²	78	66.6 Å²	66.6	65%	0.645	38%	0.381	S	S	*	.	S	Bend	trans	-66.4	-2.9	177.9	0	0	0	0	0	114.7	G735	A523-G735 VanDerWaalsContact O-CA 3.29Å; A523-G735 WeakPolarHBondContact O-CA 3.13Å
524	R	90.5	Very high	91.7	Very high	167 Å²	167	64.3 Å²	64.3	63%	0.63	36%	0.355	S	S	*	.	S	Bend	trans	-107.6	149.9	174.3	63.8	179.4	174.8	173.9	0.6	110.2	Q522 T526 D736	Q522-R524 HydrophobicContact CB-CG 4.23Å; Q522-R524 PolarHBondContact O-N 3.2Å; Q522-R524 VanDerWaalsContact OE1-NH2 3.14Å; R524-T526 HydrophobicContact CG-CG2 4.34Å; R524-T526 PolarHBondContact O-N 3.02Å; R524-D736 PolarHBondContact O-N 3.28Å
525	V	89.4	Confident	92	Very high	51 Å²	51	66.6 Å²	66.6	31%	0.309	37%	0.37	S	S	.	.			trans	-71.8	121	169.7	-176.7	0	0	0	0	108.9	D734 P851	V525-D734 WeakPolarHBondContact CG2-O 3.39Å; V525-P851 HydrophobicContact CG1-CG 4.26Å; V525-P851 HydrophobicContact CG2-CB 3.83Å; V525-P851 HydrophobicContact CG2-CG 3.57Å
526	T	90.1	Very high	92.1	Very high	28 Å²	28	67.9 Å²	67.9	17%	0.172	38%	0.379	C	S	.	.			trans	-94.7	145.3	176.2	60.5	0	0	0	0	112	R524 W528 D736	R524-T526 HydrophobicContact CG-CG2 4.34Å; R524-T526 PolarHBondContact O-N 3.02Å; T526-W528 PolarHBondContact OG1-NE1 3.37Å; T526-D736 VanDerWaalsContact CB-OD2 3.25Å; T526-D736 WeakPolarHBondContact CB-OD2 3.19Å; T526-D736 VanDerWaalsContact CG2-OD2 3.3Å; T526-D736 WeakPolarHBondContact CG2-OD2 3.26Å; T526-D736 PolarHBondContact N-OD2 3.45Å; T526-D736 PolarHBondContact OG1-OD2 2.98Å
527	T	89.1	Confident	92.3	Very high	104 Å²	104	65.6 Å²	65.6	64%	0.638	36%	0.356	S	S	*	.			trans	-106.1	146.8	171.7	57.8	0	0	0	0	109.7
528	W	89.6	Confident	92.4	Very high	62 Å²	62	61.9 Å²	61.9	24%	0.235	33%	0.333	C	S	.	.			trans	-132.5	134.8	-172.5	-68.9	79.7	0	0	0	110.1	T526 T530 I760 R761 N762	T526-W528 PolarHBondContact OG1-NE1 3.37Å; W528-T530 HydrophobicContact CB-CG2 4.38Å; W528-T530 PolarHBondContact O-N 3.05Å; W528-I760 HydrophobicContact CE3-CG2 4.13Å; W528-I760 WeakPolarHBondContact CZ3-O 3.32Å; W528-R761 HydrophobicContact CD2-CG 3.91Å; W528-R761 HydrophobicContact CG-CG 3.81Å; W528-R761 HydrophobicContact CZ2-CB 4.47Å; W528-R761 HydrophobicContact CZ2-CG 4.37Å; W528-N762 HydrophobicContact CH2-CB 3.89Å; W528-N762 VanDerWaalsContact CH2-CG 3.49Å; W528-N762 VanDerWaalsContact CH2-OD1 3.25Å; W528-N762 WeakPolarHBondContact CH2-OD1 3.27Å; W528-N762 WeakPolarHBondContact CZ2-OD1 3.46Å
529	D	92.9	Very high	92.4	Very high	102 Å²	102	65.4 Å²	65.4	55%	0.545	35%	0.348	S	S	.	.			trans	-70.5	105.3	171.8	-172.6	2.2	0	0	0	109.2	G531 S793	D529-G531 PolarHBondContact OD1-N 3.17Å; D529-S793 WeakPolarHBondContact CB-OG 3.21Å
530	T	94.6	Very high	92.5	Very high	3 Å²	3	62.5 Å²	62.5	2%	0.018	33%	0.33	C	S	.	.			trans	-109.1	8.1	-179.6	46.7	0	0	0	0	111.2	W528 H753 R756 R757 I760	W528-T530 HydrophobicContact CB-CG2 4.38Å; W528-T530 PolarHBondContact O-N 3.05Å; T530-H753 PolarHBondContact OG1-ND1 3.32Å; T530-R756 HydrophobicContact CG2-CB 4.07Å; T530-R756 WeakPolarHBondContact O-CD 3.36Å; T530-R756 PolarHBondContact O-NE 3.08Å; T530-R757 HydrophobicContact CG2-CB 4.04Å; T530-I760 HydrophobicContact CG2-CB 4.38Å; T530-I760 HydrophobicContact CG2-CG1 4.41Å
531	G	92.3	Very high	92.6	Very high	18 Å²	18	58.7 Å²	58.7	19%	0.186	31%	0.313	C	S	.	.			trans	-63.3	160.3	176.9	0	0	0	0	0	112.6	D529 L790	D529-G531 PolarHBondContact OD1-N 3.17Å; G531-L790 VanDerWaalsContact CA-O 3.23Å; G531-L790 WeakPolarHBondContact CA-O 3.5Å
532	V	93.9	Very high	92.7	Very high	6 Å²	6	59.7 Å²	59.7	4%	0.036	32%	0.322	C	S	.	.			trans	-142.1	140.2	176.1	-179.1	0	0	0	0	109.1	A534 L536 L537 F752 R756 L790 L791	V532-A534 PolarHBondContact O-N 2.96Å; V532-L536 HydrophobicContact CG1-CB 4.15Å; V532-L536 HydrophobicContact CG1-CD2 3.74Å; V532-L536 HydrophobicContact CG1-CG 4.09Å; V532-L537 HydrophobicContact CB-CD1 4.2Å; V532-L537 HydrophobicContact CB-CD2 3.74Å; V532-L537 HydrophobicContact CB-CG 3.91Å; V532-L537 HydrophobicContact CG1-CD2 3.7Å; V532-L537 HydrophobicContact CG1-CG 3.88Å; V532-L537 HydrophobicContact CG2-CD2 4.33Å; V532-F752 HydrophobicContact CB-CZ 4.26Å; V532-F752 HydrophobicContact CG2-CZ 3.8Å; V532-R756 VanDerWaalsContact CG2-NE 3.26Å; V532-R756 VanDerWaalsContact CG2-NH2 3.31Å; V532-L790 PolarHBondContact N-O 3.11Å; V532-L791 WeakPolarHBondContact O-CD2 3.5Å
533	P	93.3	Very high	93	Very high	85 Å²	85	57.5 Å²	57.5	55%	0.552	31%	0.311	S	S	*	.			trans	-51.7	131.7	175.6	-28.1	35.7	0	0	0	112.8	Q535 L536 L537	P533-Q535 PolarHBondContact O-N 2.76Å; P533-L536 WeakPolarHBondContact O-CB 3.17Å; P533-L536 PolarHBondContact O-N 2.81Å; P533-L537 PolarHBondContact O-N 3.24Å; P533-L537 VanDerWaalsContact O-N 3.11Å
534	A	89.4	Confident	93.4	Very high	25 Å²	25	54.1 Å²	54.1	21%	0.207	28%	0.283	C	S	.	.	H	α-helix	trans	-58.2	-35.8	-174.5	0	0	0	0	0	113	V532 L536 L537 Q538 L787 L791	V532-A534 PolarHBondContact O-N 2.96Å; A534-L536 VanDerWaalsContact C-N 3.35Å; A534-L536 PolarHBondContact O-N 3.17Å; A534-L537 WeakPolarHBondContact O-CB 3.4Å; A534-L537 PolarHBondContact O-N 3.37Å; A534-Q538 WeakPolarHBondContact O-CG 3.39Å; A534-Q538 PolarHBondContact O-N 3.44Å; A534-L787 HydrophobicContact CB-CB 4.48Å; A534-L787 HydrophobicContact CB-CD2 4.27Å; A534-L791 HydrophobicContact CB-CD1 4.45Å; A534-L791 HydrophobicContact CB-CD2 3.94Å; A534-L791 HydrophobicContact CB-CG 4.4Å
535	Q	92.2	Very high	93.7	Very high	162 Å²	162	46.6 Å²	46.6	76%	0.757	26%	0.255	S	S	*	.	H	α-helix	trans	-61.7	-42.2	176.5	-67.9	177	-4.2	0	0	111.9	P533 L537 Q538 F539	P533-Q535 PolarHBondContact O-N 2.76Å; Q535-L537 VanDerWaalsContact C-N 3.34Å; Q535-Q538 PolarHBondContact O-N 3.08Å; Q535-F539 WeakPolarHBondContact O-CB 3.32Å; Q535-F539 PolarHBondContact O-N 3.46Å
536	L	93.3	Very high	94	Very high	59 Å²	59	47.5 Å²	47.5	31%	0.309	26%	0.259	S	S	.	.	H	α-helix	trans	-66.1	-40	175.5	178.4	59.1	0	0	0	110.7	V532 P533 A534 F539 V540	V532-L536 HydrophobicContact CG1-CB 4.15Å; V532-L536 HydrophobicContact CG1-CD2 3.74Å; V532-L536 HydrophobicContact CG1-CG 4.09Å; P533-L536 WeakPolarHBondContact O-CB 3.17Å; P533-L536 PolarHBondContact O-N 2.81Å; A534-L536 VanDerWaalsContact C-N 3.35Å; A534-L536 PolarHBondContact O-N 3.17Å; L536-F539 HydrophobicContact CD1-CD1 4.28Å; L536-F539 PolarHBondContact O-N 2.83Å; L536-V540 HydrophobicContact CD1-CG2 4Å; L536-V540 HydrophobicContact CG-CG2 4.36Å; L536-V540 WeakPolarHBondContact O-CB 3.46Å; L536-V540 VanDerWaalsContact O-CG2 3.31Å; L536-V540 WeakPolarHBondContact O-CG2 3.44Å; L536-V540 PolarHBondContact O-N 2.98Å
537	L	93.3	Very high	94.2	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-44.1	175.9	-65.1	-178.3	0	0	0	112.1	V532 P533 A534 Q535 F539 V540 G541 L583 F752 L787 L790	V532-L537 HydrophobicContact CB-CD1 4.2Å; V532-L537 HydrophobicContact CB-CD2 3.74Å; V532-L537 HydrophobicContact CB-CG 3.91Å; V532-L537 HydrophobicContact CG1-CD2 3.7Å; V532-L537 HydrophobicContact CG1-CG 3.88Å; V532-L537 HydrophobicContact CG2-CD2 4.33Å; P533-L537 PolarHBondContact O-N 3.24Å; P533-L537 VanDerWaalsContact O-N 3.11Å; A534-L537 WeakPolarHBondContact O-CB 3.4Å; A534-L537 PolarHBondContact O-N 3.37Å; Q535-L537 VanDerWaalsContact C-N 3.34Å; L537-F539 PolarHBondContact O-N 2.67Å; L537-V540 PolarHBondContact O-N 3.32Å; L537-G541 PolarHBondContact O-N 3.13Å; L537-L583 HydrophobicContact CB-CD1 4.38Å; L537-L583 HydrophobicContact CB-CD2 4.19Å; L537-L583 HydrophobicContact CD2-CB 4.16Å; L537-L583 HydrophobicContact CD2-CD2 4.44Å; L537-L583 WeakPolarHBondContact O-CD2 3.29Å; L537-F752 HydrophobicContact CD1-CZ 4.36Å; L537-F752 HydrophobicContact CD2-CE2 3.78Å; L537-F752 HydrophobicContact CD2-CZ 3.91Å; L537-L787 HydrophobicContact CB-CD2 4.08Å; L537-L787 HydrophobicContact CD1-CD2 4.29Å; L537-L790 HydrophobicContact CD1-CB 3.63Å; L537-L790 HydrophobicContact CD1-CD1 3.88Å; L537-L790 HydrophobicContact CD1-CG 4.41Å
538	Q	94.4	Very high	94.4	Very high	74 Å²	74	44.5 Å²	44.5	35%	0.346	24%	0.239	S	C	.	.	H	α-helix	trans	-61.3	-44.9	175.5	-74.3	175.8	-34	0	0	111.6	A534 Q535 G541 A542 L569 L787	A534-Q538 WeakPolarHBondContact O-CG 3.39Å; A534-Q538 PolarHBondContact O-N 3.44Å; Q535-Q538 PolarHBondContact O-N 3.08Å; Q538-G541 PolarHBondContact O-N 3.42Å; Q538-A542 WeakPolarHBondContact O-CB 3.38Å; Q538-A542 PolarHBondContact O-N 3.39Å; Q538-L569 PolarHBondContact NE2-O 3.47Å; Q538-L787 HydrophobicContact CG-CD1 4.06Å; Q538-L787 HydrophobicContact CG-CD2 4.43Å
539	F	95.9	Very high	94.4	Very high	93 Å²	93	51.8 Å²	51.8	41%	0.408	27%	0.272	S	S	.	.	H	α-helix	trans	-59.6	-51.4	176.1	174	-106.8	0	0	0	112.3	Q535 L536 L537 G541 A542 K543 I629	Q535-F539 WeakPolarHBondContact O-CB 3.32Å; Q535-F539 PolarHBondContact O-N 3.46Å; L536-F539 HydrophobicContact CD1-CD1 4.28Å; L536-F539 PolarHBondContact O-N 2.83Å; L537-F539 PolarHBondContact O-N 2.67Å; F539-G541 VanDerWaalsContact C-N 3.33Å; F539-G541 PolarHBondContact O-N 3.05Å; F539-A542 PolarHBondContact O-N 3.49Å; F539-K543 HydrophobicContact CD2-CG 4.42Å; F539-K543 HydrophobicContact CE1-CG 4.25Å; F539-K543 HydrophobicContact CE2-CG 3.99Å; F539-K543 HydrophobicContact CZ-CD 4.5Å; F539-K543 HydrophobicContact CZ-CG 3.9Å; F539-K543 WeakPolarHBondContact O-CB 3.31Å; F539-K543 WeakPolarHBondContact O-CG 3.4Å; F539-K543 PolarHBondContact O-N 3.33Å; F539-I629 HydrophobicContact CD1-CG2 4.3Å; F539-I629 HydrophobicContact CE1-CG2 3.53Å; F539-I629 HydrophobicContact CZ-CG2 4.23Å
540	V	96.6	Very high	94.3	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.3	-43.6	177.2	163.7	0	0	0	0	111.2	L536 L537 A542 K543 S544 L583 L626	L536-V540 HydrophobicContact CD1-CG2 4Å; L536-V540 HydrophobicContact CG-CG2 4.36Å; L536-V540 WeakPolarHBondContact O-CB 3.46Å; L536-V540 VanDerWaalsContact O-CG2 3.31Å; L536-V540 WeakPolarHBondContact O-CG2 3.44Å; L536-V540 PolarHBondContact O-N 2.98Å; L537-V540 PolarHBondContact O-N 3.32Å; V540-A542 VanDerWaalsContact C-N 3.34Å; V540-A542 PolarHBondContact O-N 3.01Å; V540-K543 PolarHBondContact O-N 3.49Å; V540-S544 PolarHBondContact O-N 3.34Å; V540-L583 HydrophobicContact CB-CD2 4.49Å; V540-L583 HydrophobicContact CG1-CD2 4.26Å; V540-L626 HydrophobicContact CG1-CD2 4.4Å
541	G	96.3	Very high	94.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.5	-43.9	179.1	0	0	0	0	0	111.9	L537 Q538 F539 S544	L537-G541 PolarHBondContact O-N 3.13Å; Q538-G541 PolarHBondContact O-N 3.42Å; F539-G541 VanDerWaalsContact C-N 3.33Å; F539-G541 PolarHBondContact O-N 3.05Å; G541-S544 PolarHBondContact O-N 2.96Å; G541-S544 PolarHBondContact O-OG 3.26Å
542	A	97.7	Very high	94.3	Very high	39 Å²	39	54 Å²	54	32%	0.322	28%	0.279	S	S	.	.	H	α-helix	trans	-64.4	-44.8	174.5	0	0	0	0	0	111.3	Q538 F539 V540 S544 V545 D546 L566	Q538-A542 WeakPolarHBondContact O-CB 3.38Å; Q538-A542 PolarHBondContact O-N 3.39Å; F539-A542 PolarHBondContact O-N 3.49Å; V540-A542 VanDerWaalsContact C-N 3.34Å; V540-A542 PolarHBondContact O-N 3.01Å; A542-S544 VanDerWaalsContact C-N 3.28Å; A542-S544 PolarHBondContact O-N 3.08Å; A542-V545 CarbonylContact O-C 3.59Å; A542-V545 WeakPolarHBondContact O-CG2 3.11Å; A542-V545 PolarHBondContact O-N 3.42Å; A542-D546 PolarHBondContact O-N 3.44Å; A542-L566 HydrophobicContact CB-CD2 4.04Å
543	K	97.9	Very high	94.3	Very high	52 Å²	52	54.7 Å²	54.7	23%	0.226	28%	0.282	C	S	.	.	H	α-helix	trans	-62.7	-30.2	176.9	-75.4	-67.8	179.7	-173.6	0	114	F539 V540 V545 D546 P625 I629	F539-K543 HydrophobicContact CD2-CG 4.42Å; F539-K543 HydrophobicContact CE1-CG 4.25Å; F539-K543 HydrophobicContact CE2-CG 3.99Å; F539-K543 HydrophobicContact CZ-CD 4.5Å; F539-K543 HydrophobicContact CZ-CG 3.9Å; F539-K543 WeakPolarHBondContact O-CB 3.31Å; F539-K543 WeakPolarHBondContact O-CG 3.4Å; F539-K543 PolarHBondContact O-N 3.33Å; V540-K543 PolarHBondContact O-N 3.49Å; K543-V545 PolarHBondContact O-N 3.47Å; K543-V545 VanDerWaalsContact O-N 3.08Å; K543-D546 HydrophobicContact CD-CB 4.18Å; K543-D546 IonicContact NZ-OD2 2.6Å; K543-D546 PolarHBondContact NZ-OD2 3.11Å; K543-D546 PolarHBondContact O-N 2.79Å; K543-P625 WeakPolarHBondContact O-CB 3.46Å; K543-I629 HydrophobicContact CB-CG1 4.24Å; K543-I629 HydrophobicContact CG-CG2 4.38Å
544	S	98.1	Very high	94.5	Very high	6 Å²	6	54.9 Å²	54.9	4%	0.042	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-15.9	177	79.3	0	0	0	0	114.3	V540 G541 A542 R565 P625	V540-S544 PolarHBondContact O-N 3.34Å; G541-S544 PolarHBondContact O-N 2.96Å; G541-S544 PolarHBondContact O-OG 3.26Å; A542-S544 VanDerWaalsContact C-N 3.28Å; A542-S544 PolarHBondContact O-N 3.08Å; S544-R565 WeakPolarHBondContact OG-CD 3.48Å; S544-R565 PolarHBondContact OG-NH1 2.95Å; S544-P625 WeakPolarHBondContact O-CB 3.39Å
545	V	97.8	Very high	94.8	Very high	9 Å²	9	59.3 Å²	59.3	6%	0.055	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131	20	178.8	-66.1	0	0	0	0	111.9	A542 K543 V562 L566	A542-V545 CarbonylContact O-C 3.59Å; A542-V545 WeakPolarHBondContact O-CG2 3.11Å; A542-V545 PolarHBondContact O-N 3.42Å; K543-V545 PolarHBondContact O-N 3.47Å; K543-V545 VanDerWaalsContact O-N 3.08Å; V545-V562 HydrophobicContact CB-CB 4.31Å; V545-V562 HydrophobicContact CB-CG1 3.99Å; V545-V562 HydrophobicContact CB-CG2 4.12Å; V545-V562 HydrophobicContact CG1-CG2 4.39Å; V545-V562 HydrophobicContact CG2-CG1 4.1Å; V545-L566 HydrophobicContact CG2-CD2 4.04Å; V545-L566 HydrophobicContact CG2-CG 4.14Å
546	D	96.5	Very high	95	Very high	71 Å²	71	57 Å²	57	38%	0.38	29%	0.285	S	S	.	.			trans	-82.7	117	174.7	-173.4	14.1	0	0	0	109.2	A542 K543 Y623	A542-D546 PolarHBondContact O-N 3.44Å; K543-D546 HydrophobicContact CD-CB 4.18Å; K543-D546 IonicContact NZ-OD2 2.6Å; K543-D546 PolarHBondContact NZ-OD2 3.11Å; K543-D546 PolarHBondContact O-N 2.79Å; D546-Y623 WeakPolarHBondContact O-CE1 3.08Å
547	I	94	Very high	95.2	Very high	38 Å²	38	55.9 Å²	55.9	20%	0.195	28%	0.279	C	S	.	.			trans	-120.5	125	-168.1	-56.7	168.3	0	0	0	108.1	I551 L553 V562 L614	I547-I551 HydrophobicContact CG2-CB 3.72Å; I547-I551 HydrophobicContact CG2-CG2 3.86Å; I547-L553 HydrophobicContact CD1-CB 4.18Å; I547-L553 HydrophobicContact CD1-CD2 3.38Å; I547-L553 HydrophobicContact CD1-CG 4.22Å; I547-V562 HydrophobicContact CD1-CG2 4Å; I547-L614 HydrophobicContact CD1-CD1 3.68Å; I547-L614 HydrophobicContact CG1-CD1 3.57Å
548	P	92.8	Very high	95.3	Very high	30 Å²	30	59.2 Å²	59.2	20%	0.195	30%	0.297	C	S	.	.			trans	-75	152.1	-179.2	35.3	-37.9	0	0	0	110.4	Q550 I551 Y623	P548-Q550 HydrophobicContact CB-CG 4.45Å; P548-Q550 HydrophobicContact CG-CG 4.31Å; P548-Q550 PolarHBondContact O-N 2.95Å; P548-I551 HydrophobicContact CG-CB 4.49Å; P548-I551 HydrophobicContact CG-CG1 3.84Å; P548-I551 PolarHBondContact O-N 2.97Å; P548-Y623 HydrophobicContact CG-CD2 4.35Å; P548-Y623 HydrophobicContact CG-CE1 4.34Å; P548-Y623 HydrophobicContact CG-CE2 3.97Å
549	K	90.1	Very high	95.4	Very high	216 Å²	216	62.4 Å²	62.4	94%	0.939	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-28.3	-171.2	-67.7	-176.9	178.6	179.1	0	114.5	I551	K549-I551 VanDerWaalsContact C-N 3.28Å; K549-I551 PolarHBondContact O-N 3.42Å
550	Q	89.3	Confident	95.3	Very high	107 Å²	107	61.3 Å²	61.3	50%	0.5	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-12.9	178.5	62.1	-94	25.4	0	0	114.7	P548	P548-Q550 HydrophobicContact CB-CG 4.45Å; P548-Q550 HydrophobicContact CG-CG 4.31Å; P548-Q550 PolarHBondContact O-N 2.95Å
551	I	92.1	Very high	95.2	Very high	15 Å²	15	62.4 Å²	62.4	8%	0.077	32%	0.315	C	S	.	.	S	Bend	trans	-98	105.4	178	-60.9	-63.5	0	0	0	108.4	I547 P548 K549 L553 C616 D621 Y623	I547-I551 HydrophobicContact CG2-CB 3.72Å; I547-I551 HydrophobicContact CG2-CG2 3.86Å; P548-I551 HydrophobicContact CG-CB 4.49Å; P548-I551 HydrophobicContact CG-CG1 3.84Å; P548-I551 PolarHBondContact O-N 2.97Å; K549-I551 VanDerWaalsContact C-N 3.28Å; K549-I551 PolarHBondContact O-N 3.42Å; I551-L553 PolarHBondContact O-N 2.99Å; I551-L553 VanDerWaalsContact O-N 3.14Å; I551-C616 HydrophobicContact CD1-CB 4.12Å; I551-C616 HydrophobicContact CG2-CB 4.25Å; I551-D621 HydrophobicContact CD1-CB 4.28Å; I551-Y623 HydrophobicContact CG1-CG 4.34Å
552	C	94.8	Very high	95.3	Very high	48 Å²	48	62.9 Å²	62.9	32%	0.324	32%	0.318	S	S	.	.			trans	-74.5	98.9	173.7	-175.9	0	0	0	0	109.3	C616 Q617 D618	C552-C616 PolarHBondContact N-SG 2.85Å; C552-C616 VanDerWaalsContact N-SG 3.41Å; C552-C616 CarbonylContact O-C 3.54Å; C552-C616 WeakPolarHBondContact O-CA 3.45Å; C552-Q617 WeakPolarHBondContact O-CG 3.49Å; C552-Q617 PolarHBondContact O-N 3.22Å; C552-D618 HydrophobicContact CB-CB 4.43Å; C552-D618 WeakPolarHBondContact CB-OD2 3.42Å
553	L	95.7	Very high	95.2	Very high	19 Å²	19	66 Å²	66	10%	0.099	33%	0.326	C	S	.	.			trans	-81.4	145.4	178.3	-173.9	68.1	0	0	0	111.3	I547 I551 N555 L557 L558 V562 L614	I547-L553 HydrophobicContact CD1-CB 4.18Å; I547-L553 HydrophobicContact CD1-CD2 3.38Å; I547-L553 HydrophobicContact CD1-CG 4.22Å; I551-L553 PolarHBondContact O-N 2.99Å; I551-L553 VanDerWaalsContact O-N 3.14Å; L553-N555 PolarHBondContact O-N 3.32Å; L553-L557 HydrophobicContact CD1-CB 4.29Å; L553-L557 HydrophobicContact CD1-CD1 4Å; L553-L557 HydrophobicContact CD2-CB 3.92Å; L553-L557 HydrophobicContact CG-CB 4.11Å; L553-L558 HydrophobicContact CD2-CB 4.28Å; L553-V562 HydrophobicContact CD2-CG2 3.8Å; L553-L614 HydrophobicContact CD1-CB 4.35Å; L553-L614 HydrophobicContact CD1-CD2 4.05Å
554	H	97.2	Very high	95	Very high	89 Å²	89	64.6 Å²	64.6	41%	0.412	32%	0.324	S	S	.	.			trans	-55.5	127.7	171.2	-172.5	-91.7	0	0	0	112.3	H556 L557 L558 Q617	H554-H556 VanDerWaalsContact CE1-CB 3.41Å; H554-H556 WeakPolarHBondContact CE1-CB 3.35Å; H554-H556 VanDerWaalsContact ND1-CB 3.35Å; H554-H556 WeakPolarHBondContact ND1-CB 3.4Å; H554-H556 PolarHBondContact ND1-N 3.21Å; H554-H556 VanDerWaalsContact ND1-N 3.2Å; H554-H556 PolarHBondContact O-N 3.37Å; H554-H556 VanDerWaalsContact O-N 3.1Å; H554-L557 HydrophobicContact CB-CD1 4.33Å; H554-L557 HydrophobicContact CB-CG 4.39Å; H554-L557 WeakPolarHBondContact O-CB 3.41Å; H554-L557 PolarHBondContact O-N 2.96Å; H554-L558 PolarHBondContact O-N 3.32Å; H554-Q617 HydrophobicContact CB-CG 4.08Å
555	N	95.6	Very high	94.9	Very high	118 Å²	118	64.7 Å²	64.7	63%	0.631	32%	0.324	S	S	*	.	H	α-helix	trans	-54.3	-35.9	-174.3	-79.8	-32.4	0	0	0	114.3	L553 K559	L553-N555 PolarHBondContact O-N 3.32Å; N555-K559 WeakPolarHBondContact O-CG 3.45Å; N555-K559 PolarHBondContact O-N 2.97Å
556	H	96.6	Very high	94.8	Very high	115 Å²	115	67.7 Å²	67.7	53%	0.532	34%	0.339	S	S	.	.	H	α-helix	trans	-66	-41.7	177	-170.7	75	0	0	0	111.8	H554 L558 K559 T560	H554-H556 VanDerWaalsContact CE1-CB 3.41Å; H554-H556 WeakPolarHBondContact CE1-CB 3.35Å; H554-H556 VanDerWaalsContact ND1-CB 3.35Å; H554-H556 WeakPolarHBondContact ND1-CB 3.4Å; H554-H556 PolarHBondContact ND1-N 3.21Å; H554-H556 VanDerWaalsContact ND1-N 3.2Å; H554-H556 PolarHBondContact O-N 3.37Å; H554-H556 VanDerWaalsContact O-N 3.1Å; H556-L558 PolarHBondContact O-N 3.34Å; H556-K559 PolarHBondContact O-N 3.08Å; H556-T560 VanDerWaalsContact CE1-CG2 3.45Å; H556-T560 WeakPolarHBondContact CE1-CG2 3.3Å; H556-T560 PolarHBondContact NE2-OG1 2.79Å; H556-T560 PolarHBondContact O-N 2.92Å; H556-T560 PolarHBondContact O-OG1 3.24Å
557	L	96.7	Very high	94.7	Very high	35 Å²	35	69.3 Å²	69.3	18%	0.183	35%	0.345	C	S	.	.	H	α-helix	trans	-66.3	-39.2	179.1	-69.4	179.7	0	0	0	111.6	L553 H554 K559 H561 V562 H611	L553-L557 HydrophobicContact CD1-CB 4.29Å; L553-L557 HydrophobicContact CD1-CD1 4Å; L553-L557 HydrophobicContact CD2-CB 3.92Å; L553-L557 HydrophobicContact CG-CB 4.11Å; H554-L557 HydrophobicContact CB-CD1 4.33Å; H554-L557 HydrophobicContact CB-CG 4.39Å; H554-L557 WeakPolarHBondContact O-CB 3.41Å; H554-L557 PolarHBondContact O-N 2.96Å; L557-K559 VanDerWaalsContact C-N 3.29Å; L557-K559 PolarHBondContact O-N 2.97Å; L557-H561 WeakPolarHBondContact O-CA 3.41Å; L557-H561 VanDerWaalsContact O-CB 3.29Å; L557-H561 WeakPolarHBondContact O-CB 3.41Å; L557-H561 PolarHBondContact O-N 3.07Å; L557-V562 PolarHBondContact O-N 3.44Å; L557-H611 WeakPolarHBondContact CD2-CE1 3.43Å; L557-H611 WeakPolarHBondContact CD2-NE2 3.49Å
558	L	96.1	Very high	94.4	Very high	69 Å²	69	69.7 Å²	69.7	36%	0.361	35%	0.345	S	S	.	.	I	π-helix	trans	-56.9	-46	174.2	-177.2	64	0	0	0	111.2	L553 H554 H556 V562 Q563	L553-L558 HydrophobicContact CD2-CB 4.28Å; H554-L558 PolarHBondContact O-N 3.32Å; H556-L558 PolarHBondContact O-N 3.34Å; L558-V562 HydrophobicContact CD1-CB 4.15Å; L558-V562 HydrophobicContact CD1-CG1 4.1Å; L558-V562 HydrophobicContact CD1-CG2 4.43Å; L558-V562 WeakPolarHBondContact O-CB 3.27Å; L558-Q563 VanDerWaalsContact O-CG 3.32Å; L558-Q563 WeakPolarHBondContact O-CG 3.25Å; L558-Q563 PolarHBondContact O-N 2.89Å
559	K	94.8	Very high	94.3	Very high	141 Å²	141	68.7 Å²	68.7	61%	0.613	34%	0.338	S	S	*	.	I	π-helix	trans	-74	-43.1	-178.1	-68.9	179.6	-178.6	-177.6	0	113.6	N555 H556 L557	N555-K559 WeakPolarHBondContact O-CG 3.45Å; N555-K559 PolarHBondContact O-N 2.97Å; H556-K559 PolarHBondContact O-N 3.08Å; L557-K559 VanDerWaalsContact C-N 3.29Å; L557-K559 PolarHBondContact O-N 2.97Å
560	T	94.1	Very high	94.3	Very high	71 Å²	71	66.4 Å²	66.4	44%	0.436	33%	0.33	S	S	.	.	I	π-helix	trans	-100.1	-24.2	-168.3	62.4	0	0	0	0	114.5	H556 A564	H556-T560 VanDerWaalsContact CE1-CG2 3.45Å; H556-T560 WeakPolarHBondContact CE1-CG2 3.3Å; H556-T560 PolarHBondContact NE2-OG1 2.79Å; H556-T560 PolarHBondContact O-N 2.92Å; H556-T560 PolarHBondContact O-OG1 3.24Å; T560-A564 WeakPolarHBondContact O-CB 3.36Å
561	H	95.5	Very high	94.2	Very high	22 Å²	22	65 Å²	65	10%	0.102	32%	0.324	C	S	.	.	I	π-helix	trans	-104.5	-56.9	179.1	-173.3	84.9	0	0	0	111.4	L557 R565 Q609 R610 H611	L557-H561 WeakPolarHBondContact O-CA 3.41Å; L557-H561 VanDerWaalsContact O-CB 3.29Å; L557-H561 WeakPolarHBondContact O-CB 3.41Å; L557-H561 PolarHBondContact O-N 3.07Å; H561-R565 PolarHBondContact CE1-NH2 3.43Å; H561-R565 PolarHBondContact NE2-NH2 3.22Å; H561-R565 VanDerWaalsContact O-CB 3.29Å; H561-R565 WeakPolarHBondContact O-CB 3.36Å; H561-R565 PolarHBondContact O-N 2.84Å; H561-Q609 PolarHBondContact CE1-O 3.38Å; H561-R610 PolarHBondContact CE1-O 2.77Å; H561-H611 AromaticContact CE1-CD2 3.8Å; H561-H611 AromaticContact CG-CD2 3.97Å; H561-H611 AromaticContact ND1-CD2 3.61Å
562	V	97.3	Very high	93.6	Very high	10 Å²	10	64.5 Å²	64.5	6%	0.061	32%	0.322	C	S	.	.	I	π-helix	trans	-67.2	-60.2	-174.9	176.3	0	0	0	0	111.1	V545 I547 L553 L557 L558 A564 R565 L566	V545-V562 HydrophobicContact CB-CB 4.31Å; V545-V562 HydrophobicContact CB-CG1 3.99Å; V545-V562 HydrophobicContact CB-CG2 4.12Å; V545-V562 HydrophobicContact CG1-CG2 4.39Å; V545-V562 HydrophobicContact CG2-CG1 4.1Å; I547-V562 HydrophobicContact CD1-CG2 4Å; L553-V562 HydrophobicContact CD2-CG2 3.8Å; L557-V562 PolarHBondContact O-N 3.44Å; L558-V562 HydrophobicContact CD1-CB 4.15Å; L558-V562 HydrophobicContact CD1-CG1 4.1Å; L558-V562 HydrophobicContact CD1-CG2 4.43Å; L558-V562 WeakPolarHBondContact O-CB 3.27Å; V562-A564 VanDerWaalsContact C-N 3.33Å; V562-A564 PolarHBondContact O-N 2.9Å; V562-R565 PolarHBondContact O-N 2.82Å; V562-L566 HydrophobicContact CG1-CD1 4.17Å; V562-L566 WeakPolarHBondContact O-CG 3.38Å; V562-L566 PolarHBondContact O-N 3.15Å
563	Q	96.4	Very high	92.8	Very high	105 Å²	105	63.6 Å²	63.6	49%	0.491	32%	0.319	S	S	.	.	H	α-helix	trans	-60.7	-41.5	-178.8	-73.2	174.8	-8.3	0	0	112.1	L558 R565 L566 Q567	L558-Q563 VanDerWaalsContact O-CG 3.32Å; L558-Q563 WeakPolarHBondContact O-CG 3.25Å; L558-Q563 PolarHBondContact O-N 2.89Å; Q563-R565 PolarHBondContact O-N 3.35Å; Q563-L566 PolarHBondContact O-N 2.92Å; Q563-Q567 WeakPolarHBondContact O-CB 3.49Å; Q563-Q567 PolarHBondContact O-N 3.43Å
564	A	93.8	Very high	92.2	Very high	22 Å²	22	68.8 Å²	68.8	18%	0.182	34%	0.337	C	S	.	.	H	α-helix	trans	-64.5	-37.7	178.2	0	0	0	0	0	112.7	T560 V562 K568	T560-A564 WeakPolarHBondContact O-CB 3.36Å; V562-A564 VanDerWaalsContact C-N 3.33Å; V562-A564 PolarHBondContact O-N 2.9Å; A564-K568 WeakPolarHBondContact O-CB 3.48Å; A564-K568 WeakPolarHBondContact O-CD 3.42Å; A564-K568 WeakPolarHBondContact O-CG 3.49Å; A564-K568 PolarHBondContact O-N 2.95Å; A564-K568 VanDerWaalsContact O-N 3.12Å
565	R	95	Very high	91.7	Very high	8 Å²	8	64.7 Å²	64.7	3%	0.03	32%	0.318	C	S	.	.	H	α-helix	trans	-67.1	-45.3	175.5	-176.6	171.9	-70.1	163.7	5.1	111	S544 H561 V562 Q563 Q567 K568 L569 S578 T579	S544-R565 WeakPolarHBondContact OG-CD 3.48Å; S544-R565 PolarHBondContact OG-NH1 2.95Å; H561-R565 PolarHBondContact CE1-NH2 3.43Å; H561-R565 PolarHBondContact NE2-NH2 3.22Å; H561-R565 VanDerWaalsContact O-CB 3.29Å; H561-R565 WeakPolarHBondContact O-CB 3.36Å; H561-R565 PolarHBondContact O-N 2.84Å; V562-R565 PolarHBondContact O-N 2.82Å; Q563-R565 PolarHBondContact O-N 3.35Å; R565-Q567 PolarHBondContact O-N 3.07Å; R565-K568 PolarHBondContact O-N 2.96Å; R565-L569 HydrophobicContact CG-CD1 4.03Å; R565-L569 HydrophobicContact CG-CG 4.5Å; R565-L569 VanDerWaalsContact O-CG 3.27Å; R565-L569 WeakPolarHBondContact O-CG 3.47Å; R565-L569 PolarHBondContact O-N 2.94Å; R565-S578 PolarHBondContact NH2-O 3.4Å; R565-S578 PolarHBondContact NH2-OG 3.09Å; R565-S578 VanDerWaalsContact NH2-OG 3.08Å; R565-T579 HydrophobicContact CG-CG2 3.89Å; R565-T579 PolarHBondContact NE-OG1 2.88Å
566	L	96.1	Very high	91.4	Very high	73 Å²	73	60.6 Å²	60.6	38%	0.382	30%	0.296	S	S	.	.	H	α-helix	trans	-58.7	-46.9	177.3	-67.5	173.7	0	0	0	111.8	A542 V545 V562 Q563 K568 L569 E570	A542-L566 HydrophobicContact CB-CD2 4.04Å; V545-L566 HydrophobicContact CG2-CD2 4.04Å; V545-L566 HydrophobicContact CG2-CG 4.14Å; V562-L566 HydrophobicContact CG1-CD1 4.17Å; V562-L566 WeakPolarHBondContact O-CG 3.38Å; V562-L566 PolarHBondContact O-N 3.15Å; Q563-L566 PolarHBondContact O-N 2.92Å; L566-K568 PolarHBondContact O-N 2.83Å; L566-L569 PolarHBondContact O-N 2.78Å; L566-E570 PolarHBondContact O-N 3.02Å
567	Q	94.3	Very high	91.2	Very high	105 Å²	105	55.5 Å²	55.5	49%	0.491	27%	0.272	S	S	.	.	H	α-helix	trans	-59.1	-46	176.6	-177.2	-178.6	3.4	0	0	112.1	Q563 R565 L569 E570 E571	Q563-Q567 WeakPolarHBondContact O-CB 3.49Å; Q563-Q567 PolarHBondContact O-N 3.43Å; R565-Q567 PolarHBondContact O-N 3.07Å; Q567-L569 VanDerWaalsContact C-N 3.26Å; Q567-L569 PolarHBondContact O-N 3.48Å; Q567-E570 PolarHBondContact O-N 3.4Å; Q567-E571 HydrophobicContact CG-CG 4.35Å; Q567-E571 WeakPolarHBondContact CG-OE1 3.46Å; Q567-E571 PolarHBondContact NE2-OE1 3.34Å; Q567-E571 WeakPolarHBondContact O-CB 3.48Å; Q567-E571 VanDerWaalsContact O-CG 3.31Å; Q567-E571 WeakPolarHBondContact O-CG 3.33Å; Q567-E571 PolarHBondContact O-N 3.27Å
568	K	89.3	Confident	91.2	Very high	46 Å²	46	54.2 Å²	54.2	20%	0.2	27%	0.266	C	S	.	.	H	α-helix	trans	-61.9	-33.7	178.7	-72.8	165.2	-173.7	158.8	0	112.6	A564 R565 L566 G572 L575 D576	A564-K568 WeakPolarHBondContact O-CB 3.48Å; A564-K568 WeakPolarHBondContact O-CD 3.42Å; A564-K568 WeakPolarHBondContact O-CG 3.49Å; A564-K568 PolarHBondContact O-N 2.95Å; A564-K568 VanDerWaalsContact O-N 3.12Å; R565-K568 PolarHBondContact O-N 2.96Å; L566-K568 PolarHBondContact O-N 2.83Å; K568-G572 PolarHBondContact O-N 2.79Å; K568-L575 HydrophobicContact CB-CD2 3.86Å; K568-D576 IonicContact NZ-OD2 3.55Å; K568-D576 PolarHBondContact NZ-OD2 2.7Å
569	L	90.1	Very high	91.2	Very high	8 Å²	8	51 Å²	51	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-73.2	-39.8	178	-68.5	165.7	0	0	0	112	Q538 R565 L566 Q567 G572 L575 T579 L583	Q538-L569 PolarHBondContact NE2-O 3.47Å; R565-L569 HydrophobicContact CG-CD1 4.03Å; R565-L569 HydrophobicContact CG-CG 4.5Å; R565-L569 VanDerWaalsContact O-CG 3.27Å; R565-L569 WeakPolarHBondContact O-CG 3.47Å; R565-L569 PolarHBondContact O-N 2.94Å; L566-L569 PolarHBondContact O-N 2.78Å; Q567-L569 VanDerWaalsContact C-N 3.26Å; Q567-L569 PolarHBondContact O-N 3.48Å; L569-G572 PolarHBondContact O-N 2.81Å; L569-L575 HydrophobicContact CD2-CD2 4.4Å; L569-T579 HydrophobicContact CD2-CG2 4.36Å; L569-L583 HydrophobicContact CD2-CD2 4.36Å
570	E	90	Very high	91.2	Very high	168 Å²	168	44.2 Å²	44.2	79%	0.785	22%	0.22	S	C	*	.	H	α-helix	trans	-64.7	-46.4	175.3	-174.7	176.5	-169.2	0	0	111.3	L566 Q567 G572	L566-E570 PolarHBondContact O-N 3.02Å; Q567-E570 PolarHBondContact O-N 3.4Å; E570-G572 VanDerWaalsContact C-N 3.26Å; E570-G572 PolarHBondContact O-N 2.89Å
571	E	87.1	Confident	91.4	Very high	77 Å²	77	41.1 Å²	41.1	36%	0.36	20%	0.2	S	C	.	.	H	α-helix	trans	-71.1	-19.7	177.3	-66.9	174.8	175.6	0	0	113.4	Q567 A573 R574	Q567-E571 HydrophobicContact CG-CG 4.35Å; Q567-E571 WeakPolarHBondContact CG-OE1 3.46Å; Q567-E571 PolarHBondContact NE2-OE1 3.34Å; Q567-E571 WeakPolarHBondContact O-CB 3.48Å; Q567-E571 VanDerWaalsContact O-CG 3.31Å; Q567-E571 WeakPolarHBondContact O-CG 3.33Å; Q567-E571 PolarHBondContact O-N 3.27Å; E571-A573 PolarHBondContact O-N 2.94Å; E571-A573 VanDerWaalsContact O-N 3.13Å; E571-R574 VanDerWaalsContact CD-NH2 3.27Å; E571-R574 IonicContact OE1-NH2 2.96Å; E571-R574 PolarHBondContact OE1-NH2 2.86Å; E571-R574 IonicContact OE2-CZ 3.26Å; E571-R574 IonicContact OE2-NE 3.38Å; E571-R574 PolarHBondContact OE2-NE 2.84Å; E571-R574 IonicContact OE2-NH2 2.73Å; E571-R574 PolarHBondContact OE2-NH2 3.49Å
572	G	78.3	Confident	91.5	Very high	5 Å²	5	40.5 Å²	40.5	5%	0.052	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	14.9	-178.3	0	0	0	0	0	115.5	K568 L569 E570 S785 F786 L787	K568-G572 PolarHBondContact O-N 2.79Å; L569-G572 PolarHBondContact O-N 2.81Å; E570-G572 VanDerWaalsContact C-N 3.26Å; E570-G572 PolarHBondContact O-N 2.89Å; G572-S785 PolarHBondContact O-OG 3.36Å; G572-F786 PolarHBondContact O-N 2.81Å; G572-L787 VanDerWaalsContact CA-CD1 3.46Å; G572-L787 PolarHBondContact O-N 3.33Å
573	A	78.8	Confident	91.6	Very high	30 Å²	30	40 Å²	40	25%	0.248	20%	0.196	C	C	.	.			trans	-134.9	164.1	-175.5	0	0	0	0	0	110.9	E571 L575	E571-A573 PolarHBondContact O-N 2.94Å; E571-A573 VanDerWaalsContact O-N 3.13Å; A573-L575 VanDerWaalsContact C-N 3.26Å; A573-L575 PolarHBondContact O-N 2.88Å
574	R	82.4	Confident	91.7	Very high	127 Å²	127	35 Å²	35	48%	0.479	17%	0.173	S	C	.	.			trans	59.8	29.2	172.1	-55.6	-179.1	-76.2	-166.6	-5.3	114.8	E571 D576 S779	E571-R574 VanDerWaalsContact CD-NH2 3.27Å; E571-R574 IonicContact OE1-NH2 2.96Å; E571-R574 PolarHBondContact OE1-NH2 2.86Å; E571-R574 IonicContact OE2-CZ 3.26Å; E571-R574 IonicContact OE2-NE 3.38Å; E571-R574 PolarHBondContact OE2-NE 2.84Å; E571-R574 IonicContact OE2-NH2 2.73Å; E571-R574 PolarHBondContact OE2-NH2 3.49Å; R574-D576 PolarHBondContact O-N 2.8Å; R574-S779 WeakPolarHBondContact CB-OG 3.28Å
575	L	86.8	Confident	91.9	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.021	17%	0.165	C	C	.	.			trans	-58.2	136.8	172.2	-55.9	-168.9	0	0	0	109.9	K568 L569 A573 T579 L583 F786 L790	K568-L575 HydrophobicContact CB-CD2 3.86Å; L569-L575 HydrophobicContact CD2-CD2 4.4Å; A573-L575 VanDerWaalsContact C-N 3.26Å; A573-L575 PolarHBondContact O-N 2.88Å; L575-T579 HydrophobicContact CD2-CG2 4.08Å; L575-L583 HydrophobicContact CD1-CD1 3.74Å; L575-F786 HydrophobicContact CB-CD1 3.66Å; L575-F786 HydrophobicContact CB-CE1 3.77Å; L575-F786 HydrophobicContact CB-CG 4.19Å; L575-F786 HydrophobicContact CB-CZ 4.41Å; L575-F786 HydrophobicContact CD1-CD1 3.58Å; L575-F786 HydrophobicContact CD1-CE1 4.08Å; L575-F786 HydrophobicContact CD1-CG 4.49Å; L575-F786 HydrophobicContact CG-CB 4.32Å; L575-F786 HydrophobicContact CG-CD1 3.66Å; L575-F786 HydrophobicContact CG-CE1 4.23Å; L575-F786 HydrophobicContact CG-CG 4.17Å; L575-L790 HydrophobicContact CD1-CD1 4.09Å
576	D	90.3	Very high	92.1	Very high	32 Å²	32	33.8 Å²	33.8	17%	0.171	16%	0.163	C	C	.	.			trans	-93.9	176.8	175.5	62.5	26.2	0	0	0	111.9	K568 R574 S578 T579 A580 P748	K568-D576 IonicContact NZ-OD2 3.55Å; K568-D576 PolarHBondContact NZ-OD2 2.7Å; R574-D576 PolarHBondContact O-N 2.8Å; D576-S578 PolarHBondContact O-N 2.9Å; D576-S578 PolarHBondContact OD1-N 2.93Å; D576-S578 PolarHBondContact OD1-OG 3.26Å; D576-T579 PolarHBondContact O-N 3.26Å; D576-T579 WeakPolarHBondContact OD1-CB 3.45Å; D576-T579 PolarHBondContact OD1-N 3.16Å; D576-T579 PolarHBondContact OD1-OG1 2.95Å; D576-A580 PolarHBondContact O-N 3.32Å; D576-P748 WeakPolarHBondContact O-CB 3.46Å
577	W	92.9	Very high	92.2	Very high	8 Å²	8	30.3 Å²	30.3	3%	0.03	15%	0.146	C	C	.	.	H	α-helix	trans	-59.7	-46.1	-176	-148.6	-80.4	0	0	0	112.8	T579 A580 E581 P745 P748 Y751 P772 L775 L776	W577-T579 VanDerWaalsContact C-N 3.32Å; W577-T579 PolarHBondContact O-N 3.15Å; W577-A580 PolarHBondContact O-N 3.09Å; W577-E581 WeakPolarHBondContact O-CB 3.36Å; W577-E581 PolarHBondContact O-N 3.19Å; W577-P745 HydrophobicContact CH2-CB 3.92Å; W577-P745 HydrophobicContact CH2-CG 3.98Å; W577-P745 HydrophobicContact CZ2-CB 4.06Å; W577-P745 HydrophobicContact CZ2-CG 3.77Å; W577-P748 HydrophobicContact CE3-CG 4.15Å; W577-Y751 AromaticContact CD1-CD1 3.45Å; W577-Y751 VanDerWaalsContact CD1-CD1 3.45Å; W577-Y751 AromaticContact CD1-CE1 3.84Å; W577-Y751 AromaticContact CE2-CD1 3.9Å; W577-Y751 AromaticContact CE2-CG 3.78Å; W577-Y751 HydrophobicContact CG-CD1 4.48Å; W577-Y751 HydrophobicContact CZ2-CD2 4.46Å; W577-Y751 HydrophobicContact CZ2-CG 4.03Å; W577-Y751 AromaticContact NE1-CD1 2.99Å; W577-Y751 AromaticContact NE1-CD2 4Å; W577-Y751 AromaticContact NE1-CE1 3.5Å; W577-Y751 AromaticContact NE1-CG 3.27Å; W577-Y751 VanDerWaalsContact NE1-CG 3.27Å; W577-P772 HydrophobicContact CD2-CG 3.59Å; W577-P772 VanDerWaalsContact CE2-CG 3.42Å; W577-P772 HydrophobicContact CE3-CB 4.46Å; W577-P772 HydrophobicContact CE3-CG 3.97Å; W577-P772 HydrophobicContact CG-CG 4.03Å; W577-P772 HydrophobicContact CH2-CB 4.42Å; W577-P772 HydrophobicContact CH2-CG 4.01Å; W577-P772 HydrophobicContact CZ2-CG 3.65Å; W577-P772 HydrophobicContact CZ3-CB 4.4Å; W577-P772 HydrophobicContact CZ3-CG 4.16Å; W577-L775 HydrophobicContact CE3-CB 4.42Å; W577-L775 HydrophobicContact CZ3-CB 4.28Å; W577-L775 HydrophobicContact CZ3-CD1 4.39Å; W577-L776 HydrophobicContact CB-CD2 3.8Å; W577-L776 HydrophobicContact CG-CD2 3.93Å
578	S	95.1	Very high	92.4	Very high	7 Å²	7	25.3 Å²	25.3	5%	0.049	12%	0.122	C	C	.	.	H	α-helix	trans	-65.2	-34.8	179.9	74.9	0	0	0	0	112.7	R565 D576 A582 Q609	R565-S578 PolarHBondContact NH2-O 3.4Å; R565-S578 PolarHBondContact NH2-OG 3.09Å; R565-S578 VanDerWaalsContact NH2-OG 3.08Å; D576-S578 PolarHBondContact O-N 2.9Å; D576-S578 PolarHBondContact OD1-N 2.93Å; D576-S578 PolarHBondContact OD1-OG 3.26Å; S578-A582 WeakPolarHBondContact O-CB 3.11Å; S578-A582 PolarHBondContact O-N 3.4Å; S578-Q609 WeakPolarHBondContact CB-O 3.5Å; S578-Q609 PolarHBondContact OG-O 3.43Å
579	T	95.9	Very high	92.8	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.006	11%	0.113	C	C	.	.	H	α-helix	trans	-70.1	-46.1	177.7	-56	0	0	0	0	109.6	R565 L569 L575 D576 W577 E581 A582 L583	R565-T579 HydrophobicContact CG-CG2 3.89Å; R565-T579 PolarHBondContact NE-OG1 2.88Å; L569-T579 HydrophobicContact CD2-CG2 4.36Å; L575-T579 HydrophobicContact CD2-CG2 4.08Å; D576-T579 PolarHBondContact O-N 3.26Å; D576-T579 WeakPolarHBondContact OD1-CB 3.45Å; D576-T579 PolarHBondContact OD1-N 3.16Å; D576-T579 PolarHBondContact OD1-OG1 2.95Å; W577-T579 VanDerWaalsContact C-N 3.32Å; W577-T579 PolarHBondContact O-N 3.15Å; T579-E581 VanDerWaalsContact C-N 3.31Å; T579-E581 PolarHBondContact O-N 3.35Å; T579-A582 PolarHBondContact O-N 3.13Å; T579-L583 HydrophobicContact CG2-CD1 4.49Å; T579-L583 HydrophobicContact CG2-CG 4.49Å; T579-L583 WeakPolarHBondContact O-CB 3.46Å; T579-L583 VanDerWaalsContact O-CG 3.23Å; T579-L583 WeakPolarHBondContact O-CG 3.39Å; T579-L583 PolarHBondContact O-N 3.4Å
580	A	95.4	Very high	93.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.8	-36.1	176.2	0	0	0	0	0	112.9	D576 W577 L583 A584 P748 F752	D576-A580 PolarHBondContact O-N 3.32Å; W577-A580 PolarHBondContact O-N 3.09Å; A580-L583 PolarHBondContact O-N 2.79Å; A580-A584 PolarHBondContact O-N 3.28Å; A580-P748 HydrophobicContact CB-CB 3.47Å; A580-P748 VanDerWaalsContact CB-CB 3.47Å; A580-P748 VanDerWaalsContact CB-O 3.27Å; A580-P748 WeakPolarHBondContact CB-O 3.4Å; A580-F752 HydrophobicContact CB-CB 4.26Å; A580-F752 WeakPolarHBondContact O-CD2 3.29Å
581	E	98.1	Very high	93.5	Very high	6 Å²	6	21.6 Å²	21.6	3%	0.028	11%	0.111	C	C	.	.	H	α-helix	trans	-60.9	-50.8	171.9	-174.3	-176.2	-121.3	0	0	111.5	W577 T579 L583 A584 F585 R610 Y751 L755	W577-E581 WeakPolarHBondContact O-CB 3.36Å; W577-E581 PolarHBondContact O-N 3.19Å; T579-E581 VanDerWaalsContact C-N 3.31Å; T579-E581 PolarHBondContact O-N 3.35Å; E581-L583 VanDerWaalsContact C-N 3.28Å; E581-L583 PolarHBondContact O-N 2.83Å; E581-A584 PolarHBondContact O-N 2.91Å; E581-A584 VanDerWaalsContact O-N 3.13Å; E581-F585 HydrophobicContact CG-CD1 4.47Å; E581-F585 HydrophobicContact CG-CE1 3.99Å; E581-F585 HydrophobicContact CG-CE2 4.03Å; E581-F585 HydrophobicContact CG-CZ 3.73Å; E581-F585 WeakPolarHBondContact O-CG 3.46Å; E581-F585 PolarHBondContact O-N 3.34Å; E581-R610 VanDerWaalsContact CD-NE 3.25Å; E581-R610 IonicContact OE1-CZ 3.76Å; E581-R610 IonicContact OE1-NE 2.71Å; E581-R610 PolarHBondContact OE1-NE 3.43Å; E581-R610 VanDerWaalsContact OE1-NE 3.11Å; E581-R610 IonicContact OE1-NH2 3.26Å; E581-R610 PolarHBondContact OE1-NH2 3.08Å; E581-R610 WeakPolarHBondContact OE2-CD 3.48Å; E581-R610 WeakPolarHBondContact OE2-CG 3.49Å; E581-R610 IonicContact OE2-CZ 3.92Å; E581-R610 IonicContact OE2-NE 3.23Å; E581-R610 PolarHBondContact OE2-NE 3.27Å; E581-R610 IonicContact OE2-NH2 2.98Å; E581-Y751 HydrophobicContact CB-CD1 4.21Å; E581-Y751 HydrophobicContact CB-CE1 3.83Å; E581-Y751 HydrophobicContact CG-CE1 3.79Å; E581-Y751 PolarHBondContact OE1-OH 2.95Å; E581-L755 HydrophobicContact CG-CD1 4.27Å
582	A	98.4	Very high	94	Very high	9 Å²	9	18.5 Å²	18.5	7%	0.074	10%	0.1	C	C	.	.	H	α-helix	trans	-60.8	-36.9	178.1	0	0	0	0	0	112.7	S578 T579 F585 G586	S578-A582 WeakPolarHBondContact O-CB 3.11Å; S578-A582 PolarHBondContact O-N 3.4Å; T579-A582 PolarHBondContact O-N 3.13Å; A582-F585 PolarHBondContact O-N 2.96Å; A582-G586 PolarHBondContact O-N 2.99Å
583	L	98.3	Very high	95	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-65.1	-42.9	174.1	-71	-173.6	0	0	0	112.3	L537 V540 L569 L575 T579 A580 E581 F585 S587 F752 L790	L537-L583 HydrophobicContact CB-CD1 4.38Å; L537-L583 HydrophobicContact CB-CD2 4.19Å; L537-L583 HydrophobicContact CD2-CB 4.16Å; L537-L583 HydrophobicContact CD2-CD2 4.44Å; L537-L583 WeakPolarHBondContact O-CD2 3.29Å; V540-L583 HydrophobicContact CB-CD2 4.49Å; V540-L583 HydrophobicContact CG1-CD2 4.26Å; L569-L583 HydrophobicContact CD2-CD2 4.36Å; L575-L583 HydrophobicContact CD1-CD1 3.74Å; T579-L583 HydrophobicContact CG2-CD1 4.49Å; T579-L583 HydrophobicContact CG2-CG 4.49Å; T579-L583 WeakPolarHBondContact O-CB 3.46Å; T579-L583 VanDerWaalsContact O-CG 3.23Å; T579-L583 WeakPolarHBondContact O-CG 3.39Å; T579-L583 PolarHBondContact O-N 3.4Å; A580-L583 PolarHBondContact O-N 2.79Å; E581-L583 VanDerWaalsContact C-N 3.28Å; E581-L583 PolarHBondContact O-N 2.83Å; L583-F585 VanDerWaalsContact C-N 3.35Å; L583-S587 VanDerWaalsContact O-CB 3.26Å; L583-S587 WeakPolarHBondContact O-CB 3.31Å; L583-S587 PolarHBondContact O-N 2.77Å; L583-S587 PolarHBondContact O-OG 2.72Å; L583-F752 HydrophobicContact CB-CD2 3.94Å; L583-F752 HydrophobicContact CB-CE2 3.91Å; L583-L790 HydrophobicContact CD1-CD1 4.05Å
584	A	98.4	Very high	95.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.6	-44	176.3	0	0	0	0	0	110.5	A580 E581 S587 L588 F752 L755 R756	A580-A584 PolarHBondContact O-N 3.28Å; E581-A584 PolarHBondContact O-N 2.91Å; E581-A584 VanDerWaalsContact O-N 3.13Å; A584-S587 PolarHBondContact O-OG 2.66Å; A584-L588 WeakPolarHBondContact O-CG 3.38Å; A584-L588 PolarHBondContact O-N 3.2Å; A584-F752 HydrophobicContact CB-CB 4.41Å; A584-F752 HydrophobicContact CB-CD2 3.58Å; A584-F752 HydrophobicContact CB-CE2 4.14Å; A584-F752 HydrophobicContact CB-CG 4.17Å; A584-F752 VanDerWaalsContact N-CD2 3.35Å; A584-L755 HydrophobicContact CB-CB 3.95Å; A584-L755 HydrophobicContact CB-CD1 3.77Å; A584-R756 HydrophobicContact CB-CG 4.28Å
585	F	98.7	Very high	96.7	Very high	3 Å²	3	13.6 Å²	13.6	1%	0.013	8%	0.075	C	C	.	.	H	α-helix	trans	-62	-60.6	178.2	-72.8	5.5	0	0	0	111	E581 A582 L583 S587 L588 L589 I595 I597 L626 L637 I666 L755	E581-F585 HydrophobicContact CG-CD1 4.47Å; E581-F585 HydrophobicContact CG-CE1 3.99Å; E581-F585 HydrophobicContact CG-CE2 4.03Å; E581-F585 HydrophobicContact CG-CZ 3.73Å; E581-F585 WeakPolarHBondContact O-CG 3.46Å; E581-F585 PolarHBondContact O-N 3.34Å; A582-F585 PolarHBondContact O-N 2.96Å; L583-F585 VanDerWaalsContact C-N 3.35Å; F585-S587 VanDerWaalsContact C-N 3.28Å; F585-S587 PolarHBondContact O-N 3.28Å; F585-L588 PolarHBondContact O-N 2.91Å; F585-L589 VanDerWaalsContact O-CG 3.31Å; F585-L589 WeakPolarHBondContact O-CG 3.34Å; F585-L589 PolarHBondContact O-N 3.49Å; F585-I595 HydrophobicContact CB-CD1 3.6Å; F585-I595 HydrophobicContact CD1-CD1 3.81Å; F585-I595 HydrophobicContact CD1-CG2 4.35Å; F585-I595 HydrophobicContact CE1-CG2 4.32Å; F585-I595 HydrophobicContact CG-CD1 3.76Å; F585-I595 HydrophobicContact CG-CG2 4.48Å; F585-I595 HydrophobicContact CZ-CG2 4.42Å; F585-I595 WeakPolarHBondContact O-CD1 2.8Å; F585-I597 HydrophobicContact CE2-CD1 4.45Å; F585-I597 HydrophobicContact CZ-CD1 4.37Å; F585-L626 HydrophobicContact CB-CD1 3.88Å; F585-L626 HydrophobicContact CD2-CD1 4.35Å; F585-L637 HydrophobicContact CD2-CD1 4.26Å; F585-L637 HydrophobicContact CD2-CD2 4.21Å; F585-L637 HydrophobicContact CE2-CD1 4.4Å; F585-I666 HydrophobicContact CE1-CD1 3.38Å; F585-I666 HydrophobicContact CZ-CD1 3.4Å; F585-I666 VanDerWaalsContact CZ-CD1 3.4Å; F585-L755 HydrophobicContact CD1-CD1 4.24Å; F585-L755 HydrophobicContact CE1-CD1 3.81Å; F585-L755 HydrophobicContact CE1-CD2 4.31Å
586	G	98.4	Very high	97.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62.4	-33.4	-175.4	0	0	0	0	0	113.7	A582 L589 C590	A582-G586 PolarHBondContact O-N 2.99Å; G586-L589 PolarHBondContact O-N 2.94Å; G586-C590 WeakPolarHBondContact O-CB 3.16Å; G586-C590 PolarHBondContact O-N 2.99Å; G586-C590 PolarHBondContact O-SG 3.47Å
587	S	98.4	Very high	97.7	Very high	1 Å²	1	12 Å²	12	1%	0.007	7%	0.067	C	C	.	.	H	α-helix	trans	-66	-37.7	173.9	61.7	0	0	0	0	113.1	L583 A584 F585 Q591 R756	L583-S587 VanDerWaalsContact O-CB 3.26Å; L583-S587 WeakPolarHBondContact O-CB 3.31Å; L583-S587 PolarHBondContact O-N 2.77Å; L583-S587 PolarHBondContact O-OG 2.72Å; A584-S587 PolarHBondContact O-OG 2.66Å; F585-S587 VanDerWaalsContact C-N 3.28Å; F585-S587 PolarHBondContact O-N 3.28Å; S587-Q591 VanDerWaalsContact O-CG 3.32Å; S587-Q591 WeakPolarHBondContact O-CG 3.29Å; S587-Q591 PolarHBondContact O-N 3.19Å; S587-R756 PolarHBondContact OG-NH1 3.19Å
588	L	98.6	Very high	97.9	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-69.2	-39.3	173.4	-73.4	172	0	0	0	111.8	A584 F585 C590 Q591 G592 F593 I595 L664 R756 M759	A584-L588 WeakPolarHBondContact O-CG 3.38Å; A584-L588 PolarHBondContact O-N 3.2Å; F585-L588 PolarHBondContact O-N 2.91Å; L588-C590 VanDerWaalsContact C-N 3.34Å; L588-C590 PolarHBondContact O-N 2.96Å; L588-Q591 CarbonylContact O-C 3.51Å; L588-Q591 WeakPolarHBondContact O-CA 3.25Å; L588-Q591 WeakPolarHBondContact O-CB 3.49Å; L588-Q591 PolarHBondContact O-N 3.48Å; L588-G592 PolarHBondContact O-N 3Å; L588-F593 HydrophobicContact CB-CB 4.25Å; L588-F593 HydrophobicContact CB-CD2 4.3Å; L588-F593 HydrophobicContact CD2-CD2 3.63Å; L588-F593 HydrophobicContact CD2-CE2 4.05Å; L588-F593 HydrophobicContact CD2-CG 4.38Å; L588-F593 PolarHBondContact O-N 3.41Å; L588-I595 HydrophobicContact CB-CD1 4.16Å; L588-I595 HydrophobicContact CD1-CD1 4.45Å; L588-L664 HydrophobicContact CD1-CD2 3.61Å; L588-R756 HydrophobicContact CD1-CG 4.28Å; L588-R756 HydrophobicContact CD2-CG 4.28Å; L588-R756 HydrophobicContact CG-CG 4.08Å; L588-M759 HydrophobicContact CD1-CG 4.12Å; L588-M759 HydrophobicContact CD2-CB 3.82Å; L588-M759 HydrophobicContact CD2-CG 4.17Å
589	L	98.6	Very high	98.1	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-60.9	-42.9	174.7	-62.6	175.5	0	0	0	111.2	F585 G586 Q591 G592 F593 I595 L626 I629 F636 L637	F585-L589 VanDerWaalsContact O-CG 3.31Å; F585-L589 WeakPolarHBondContact O-CG 3.34Å; F585-L589 PolarHBondContact O-N 3.49Å; G586-L589 PolarHBondContact O-N 2.94Å; L589-Q591 PolarHBondContact O-N 3.32Å; L589-G592 PolarHBondContact O-N 3.26Å; L589-F593 WeakPolarHBondContact CD2-O 3.33Å; L589-I595 HydrophobicContact CD2-CB 4.34Å; L589-I595 HydrophobicContact CD2-CD1 3.98Å; L589-I595 HydrophobicContact CD2-CG1 3.87Å; L589-I595 HydrophobicContact CG-CD1 4Å; L589-I595 HydrophobicContact CG-CG1 4.43Å; L589-L626 HydrophobicContact CD1-CB 3.91Å; L589-L626 WeakPolarHBondContact CD1-O 3.23Å; L589-I629 HydrophobicContact CB-CD1 4.34Å; L589-I629 HydrophobicContact CD1-CD1 4.26Å; L589-F636 WeakPolarHBondContact CD2-O 3.47Å; L589-L637 HydrophobicContact CD1-CB 4.07Å; L589-L637 HydrophobicContact CD2-CB 4.44Å
590	C	97.9	Very high	98.2	Very high	57 Å²	57	11.8 Å²	11.8	39%	0.385	7%	0.066	S	C	.	.	H	α-helix	trans	-62.4	-26.2	173.2	-69.2	0	0	0	0	113.2	G586 L588 G592	G586-C590 WeakPolarHBondContact O-CB 3.16Å; G586-C590 PolarHBondContact O-N 2.99Å; G586-C590 PolarHBondContact O-SG 3.47Å; L588-C590 VanDerWaalsContact C-N 3.34Å; L588-C590 PolarHBondContact O-N 2.96Å; C590-G592 VanDerWaalsContact C-N 3.27Å
591	Q	97.5	Very high	98.3	Very high	86 Å²	86	14.5 Å²	14.5	40%	0.402	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	4.3	174.6	-68.7	175.9	-45.2	0	0	113	S587 L588 L589 F593 R662	S587-Q591 VanDerWaalsContact O-CG 3.32Å; S587-Q591 WeakPolarHBondContact O-CG 3.29Å; S587-Q591 PolarHBondContact O-N 3.19Å; L588-Q591 CarbonylContact O-C 3.51Å; L588-Q591 WeakPolarHBondContact O-CA 3.25Å; L588-Q591 WeakPolarHBondContact O-CB 3.49Å; L588-Q591 PolarHBondContact O-N 3.48Å; L589-Q591 PolarHBondContact O-N 3.32Å; Q591-F593 HydrophobicContact CB-CD2 3.84Å; Q591-F593 HydrophobicContact CB-CE2 3.95Å; Q591-R662 PolarHBondContact O-NH2 3.35Å
592	G	96.8	Very high	98.3	Very high	12 Å²	12	14.2 Å²	14.2	12%	0.124	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	26.2	178.9	0	0	0	0	0	113.9	L588 L589 C590 T634 R662	L588-G592 PolarHBondContact O-N 3Å; L589-G592 PolarHBondContact O-N 3.26Å; C590-G592 VanDerWaalsContact C-N 3.27Å; G592-T634 WeakPolarHBondContact CA-OG1 3.31Å; G592-R662 PolarHBondContact O-NH2 2.94Å
593	F	98.3	Very high	98.3	Very high	19 Å²	19	13.8 Å²	13.8	8%	0.083	8%	0.075	C	C	.	.			trans	-88.8	144.2	165.1	-64.6	-72.9	0	0	0	109.6	L588 L589 Q591 G635 R662 M759 I760	L588-F593 HydrophobicContact CB-CB 4.25Å; L588-F593 HydrophobicContact CB-CD2 4.3Å; L588-F593 HydrophobicContact CD2-CD2 3.63Å; L588-F593 HydrophobicContact CD2-CE2 4.05Å; L588-F593 HydrophobicContact CD2-CG 4.38Å; L588-F593 PolarHBondContact O-N 3.41Å; L589-F593 WeakPolarHBondContact CD2-O 3.33Å; Q591-F593 HydrophobicContact CB-CD2 3.84Å; Q591-F593 HydrophobicContact CB-CE2 3.95Å; F593-G635 VanDerWaalsContact O-CA 3.3Å; F593-G635 WeakPolarHBondContact O-CA 3.3Å; F593-R662 HydrophobicContact CD1-CB 4.15Å; F593-R662 HydrophobicContact CE1-CG 4.48Å; F593-M759 HydrophobicContact CD1-CB 4.19Å; F593-M759 HydrophobicContact CD1-CE 3.58Å; F593-M759 HydrophobicContact CD2-CB 4.35Å; F593-M759 HydrophobicContact CE1-CB 4.12Å; F593-M759 HydrophobicContact CE1-CE 3.99Å; F593-M759 HydrophobicContact CE2-CB 4.28Å; F593-M759 HydrophobicContact CG-CB 4.3Å; F593-M759 HydrophobicContact CG-CE 4.34Å; F593-M759 HydrophobicContact CZ-CB 4.16Å; F593-I760 HydrophobicContact CE2-CD1 4.3Å
594	H	98.5	Very high	98.3	Very high	39 Å²	39	19 Å²	19	18%	0.181	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	151.2	167.4	-64.1	-71.4	0	0	0	109.6	T634 F636 R662 L663 L664	H594-T634 PolarHBondContact CE1-O 3.04Å; H594-F636 WeakPolarHBondContact CA-O 3.47Å; H594-F636 PolarHBondContact ND1-N 2.92Å; H594-R662 PolarHBondContact N-O 3.32Å; H594-L663 HydrophobicContact CB-CD1 3.79Å; H594-L663 CarbonylContact O-C 3.3Å; H594-L663 WeakPolarHBondContact O-CA 3.39Å; H594-L664 PolarHBondContact O-N 3.17Å
595	I	98.8	Very high	98.2	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	135.5	173.6	-54.6	178.9	0	0	0	107.3	F585 L588 L589 F636 L637 E638 L664 I666	F585-I595 HydrophobicContact CB-CD1 3.6Å; F585-I595 HydrophobicContact CD1-CD1 3.81Å; F585-I595 HydrophobicContact CD1-CG2 4.35Å; F585-I595 HydrophobicContact CE1-CG2 4.32Å; F585-I595 HydrophobicContact CG-CD1 3.76Å; F585-I595 HydrophobicContact CG-CG2 4.48Å; F585-I595 HydrophobicContact CZ-CG2 4.42Å; F585-I595 WeakPolarHBondContact O-CD1 2.8Å; L588-I595 HydrophobicContact CB-CD1 4.16Å; L588-I595 HydrophobicContact CD1-CD1 4.45Å; L589-I595 HydrophobicContact CD2-CB 4.34Å; L589-I595 HydrophobicContact CD2-CD1 3.98Å; L589-I595 HydrophobicContact CD2-CG1 3.87Å; L589-I595 HydrophobicContact CG-CD1 4Å; L589-I595 HydrophobicContact CG-CG1 4.43Å; I595-F636 PolarHBondContact N-O 3.31Å; I595-L637 HydrophobicContact CB-CD1 3.78Å; I595-L637 HydrophobicContact CG2-CD1 3.59Å; I595-L637 CarbonylContact O-C 3.56Å; I595-L637 VanDerWaalsContact O-CA 3.31Å; I595-L637 WeakPolarHBondContact O-CA 3.49Å; I595-E638 PolarHBondContact O-N 2.9Å; I595-L664 WeakPolarHBondContact CA-O 3.32Å; I595-L664 HydrophobicContact CG1-CB 4.21Å; I595-L664 HydrophobicContact CG2-CB 4.47Å; I595-I666 HydrophobicContact CG2-CD1 4.23Å
596	R	98.8	Very high	98.2	Very high	1 Å²	1	20 Å²	20	0%	0.004	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	122	170.8	177	170.1	169.7	102.9	3	107.8	H359 E638 C640 E653 L663 L664 I666	H359-R596 PolarHBondContact O-NH1 3.07Å; H359-R596 PolarHBondContact O-NH2 3.02Å; H359-R596 VanDerWaalsContact O-NH2 3.14Å; R596-E638 WeakPolarHBondContact CA-O 3.49Å; R596-E638 HydrophobicContact CB-CB 4.5Å; R596-E638 HydrophobicContact CG-CB 4.43Å; R596-E638 IonicContact CZ-OE2 3.73Å; R596-E638 IonicContact NH1-OE1 3.57Å; R596-E638 PolarHBondContact NH1-OE1 3.03Å; R596-E638 IonicContact NH1-OE2 2.92Å; R596-E638 PolarHBondContact NH1-OE2 3.04Å; R596-C640 PolarHBondContact NH1-SG 3.02Å; R596-E653 VanDerWaalsContact CD-OE2 3.3Å; R596-E653 WeakPolarHBondContact CD-OE2 3.46Å; R596-E653 IonicContact CZ-OE1 3.89Å; R596-E653 IonicContact CZ-OE2 3.05Å; R596-E653 VanDerWaalsContact NE-CD 3.33Å; R596-E653 IonicContact NE-OE1 3.93Å; R596-E653 PolarHBondContact NE-OE1 2.82Å; R596-E653 VanDerWaalsContact NE-OE1 3.09Å; R596-E653 IonicContact NE-OE2 3.65Å; R596-E653 PolarHBondContact NE-OE2 2.97Å; R596-E653 IonicContact NH2-OE1 2.74Å; R596-E653 PolarHBondContact NH2-OE1 3.21Å; R596-E653 IonicContact NH2-OE2 3.62Å; R596-L663 HydrophobicContact CB-CD1 3.93Å; R596-L664 PolarHBondContact N-O 3.42Å; R596-I666 PolarHBondContact O-N 3.31Å
597	I	98.8	Very high	98.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	122.4	172.4	-171	171.2	0	0	0	108.7	F585 V602 L637 E638 V639 C640 I666	F585-I597 HydrophobicContact CE2-CD1 4.45Å; F585-I597 HydrophobicContact CZ-CD1 4.37Å; I597-V602 HydrophobicContact CD1-CB 4.3Å; I597-V602 HydrophobicContact CG1-CB 4.09Å; I597-V602 HydrophobicContact CG1-CG1 4.39Å; I597-V602 HydrophobicContact CG1-CG2 4.35Å; I597-V602 HydrophobicContact CG2-CG2 4.45Å; I597-L637 HydrophobicContact CG2-CD1 4.06Å; I597-E638 PolarHBondContact N-O 3.3Å; I597-V639 HydrophobicContact CG2-CB 4.46Å; I597-V639 HydrophobicContact CG2-CG1 4.4Å; I597-V639 HydrophobicContact CG2-CG2 4.22Å; I597-C640 PolarHBondContact O-N 2.83Å; I597-I666 WeakPolarHBondContact CA-O 3.26Å; I597-I666 HydrophobicContact CB-CB 4.39Å; I597-I666 HydrophobicContact CD1-CG2 4.48Å; I597-I666 HydrophobicContact CG1-CB 4.19Å; I597-I666 HydrophobicContact CG1-CG2 4.2Å
598	S	98.9	Very high	98	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	139.8	-170.6	-175.9	0	0	0	0	110.3	Y360 C640 E653 I666 W667 E668	Y360-S598 PolarHBondContact OH-OG 3.5Å; S598-C640 WeakPolarHBondContact CA-O 3.4Å; S598-E653 WeakPolarHBondContact CB-OE1 3.36Å; S598-E653 PolarHBondContact OG-OE1 3.01Å; S598-I666 PolarHBondContact N-O 2.96Å; S598-W667 VanDerWaalsContact O-CA 3.31Å; S598-W667 WeakPolarHBondContact O-CA 3.35Å; S598-E668 PolarHBondContact O-N 2.88Å
599	G	98.7	Very high	97.9	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.1	177	-179.5	0	0	0	0	0	112	D601 C640 N641 S642	G599-D601 PolarHBondContact O-N 2.9Å; G599-C640 PolarHBondContact N-O 2.89Å; G599-N641 WeakPolarHBondContact O-CA 3.42Å; G599-S642 WeakPolarHBondContact CA-OG 3.42Å; G599-S642 PolarHBondContact O-N 3.06Å; G599-S642 PolarHBondContact O-OG 3.3Å
600	Q	98.5	Very high	97.9	Very high	12 Å²	12	25.6 Å²	25.6	6%	0.056	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	123.5	-176.4	-62.6	164.1	11.7	0	0	109.7	V602 S642 L644 E646 Q670	Q600-V602 PolarHBondContact O-N 3.42Å; Q600-V602 VanDerWaalsContact O-N 3.12Å; Q600-S642 PolarHBondContact N-OG 3.46Å; Q600-L644 HydrophobicContact CG-CD2 3.95Å; Q600-E646 PolarHBondContact NE2-OE1 3.41Å; Q600-Q670 HydrophobicContact CB-CB 4.4Å
601	D	97.5	Very high	97.9	Very high	57 Å²	57	23.5 Å²	23.5	31%	0.305	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	17	177.6	-56.5	-72	0	0	0	116.4	G599 G603 R604 G605 N641 Q670	G599-D601 PolarHBondContact O-N 2.9Å; D601-G603 PolarHBondContact O-N 3.37Å; D601-G603 VanDerWaalsContact O-N 3.08Å; D601-R604 PolarHBondContact O-N 3.2Å; D601-G605 WeakPolarHBondContact O-CA 3.42Å; D601-G605 PolarHBondContact O-N 3.39Å; D601-N641 VanDerWaalsContact C-OD1 3.31Å; D601-Q670 PolarHBondContact OD2-NE2 2.79Å
602	V	98.4	Very high	97.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-27.5	-172.3	-66.5	0	0	0	0	114.4	I597 Q600 R604 G605 R610 V639 C640 N641 E668	I597-V602 HydrophobicContact CD1-CB 4.3Å; I597-V602 HydrophobicContact CG1-CB 4.09Å; I597-V602 HydrophobicContact CG1-CG1 4.39Å; I597-V602 HydrophobicContact CG1-CG2 4.35Å; I597-V602 HydrophobicContact CG2-CG2 4.45Å; Q600-V602 PolarHBondContact O-N 3.42Å; Q600-V602 VanDerWaalsContact O-N 3.12Å; V602-R604 PolarHBondContact O-N 2.95Å; V602-G605 PolarHBondContact O-N 3.32Å; V602-R610 WeakPolarHBondContact O-CD 3.4Å; V602-R610 PolarHBondContact O-NH1 3.12Å; V602-V639 HydrophobicContact CG2-CG1 4.41Å; V602-C640 WeakPolarHBondContact CG2-O 3.12Å; V602-N641 PolarHBondContact N-OD1 3.24Å; V602-N641 VanDerWaalsContact N-OD1 3.15Å; V602-E668 HydrophobicContact CG1-CB 3.86Å; V602-E668 HydrophobicContact CG1-CG 4.47Å
603	G	97.3	Very high	97.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-41.8	178.8	0	0	0	0	0	113.3	D601 H611 A612 M613 N641	D601-G603 PolarHBondContact O-N 3.37Å; D601-G603 VanDerWaalsContact O-N 3.08Å; G603-H611 CarbonylContact O-C 2.87Å; G603-H611 WeakPolarHBondContact O-CA 3.43Å; G603-A612 PolarHBondContact O-N 3.06Å; G603-M613 PolarHBondContact O-N 2.87Å; G603-M613 VanDerWaalsContact O-N 3.13Å; G603-N641 PolarHBondContact N-OD1 3.26Å
604	R	98	Very high	97.7	Very high	109 Å²	109	19.8 Å²	19.8	41%	0.411	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-37.9	170.7	-170.6	-163.5	72.5	-164.9	1.9	110.9	D601 V602 T606 R610 H611	D601-R604 PolarHBondContact O-N 3.2Å; V602-R604 PolarHBondContact O-N 2.95Å; R604-T606 PolarHBondContact NH2-O 2.74Å; R604-R610 PolarHBondContact O-N 2.85Å; R604-H611 PolarHBondContact O-N 2.96Å; R604-H611 VanDerWaalsContact O-N 3.09Å
605	G	97.7	Very high	97.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.1	C	C	.	.			trans	85	138.7	-162.8	0	0	0	0	0	111.2	D601 V602 F607 S608	D601-G605 WeakPolarHBondContact O-CA 3.42Å; D601-G605 PolarHBondContact O-N 3.39Å; V602-G605 PolarHBondContact O-N 3.32Å; G605-F607 PolarHBondContact O-N 3.18Å; G605-S608 WeakPolarHBondContact O-CA 3.47Å; G605-S608 PolarHBondContact O-N 2.9Å
606	T	96.9	Very high	97.3	Very high	23 Å²	23	19.5 Å²	19.5	14%	0.141	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-45.2	178	-53.1	0	0	0	0	111.9	R604 S608 Q670 F671	R604-T606 PolarHBondContact NH2-O 2.74Å; T606-S608 VanDerWaalsContact C-N 3.27Å; T606-S608 PolarHBondContact O-N 3.18Å; T606-Q670 HydrophobicContact CG2-CG 3.53Å; T606-Q670 WeakPolarHBondContact OG1-CG 3.45Å; T606-Q670 PolarHBondContact OG1-O 2.93Å; T606-F671 HydrophobicContact CG2-CE2 3.94Å; T606-F671 HydrophobicContact CG2-CZ 4.49Å
607	F	96.8	Very high	97	Very high	40 Å²	40	24.2 Å²	24.2	18%	0.175	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	14.8	-176.8	-48.3	-78.2	0	0	0	113.7	G605 Q609 F671 P704 K773 L776 R777	G605-F607 PolarHBondContact O-N 3.18Å; F607-Q609 VanDerWaalsContact C-OE1 3.24Å; F607-Q609 VanDerWaalsContact CA-OE1 3.3Å; F607-Q609 PolarHBondContact O-N 3.22Å; F607-F671 AromaticContact CE1-CE1 3.8Å; F607-F671 HydrophobicContact CE1-CE1 3.8Å; F607-F671 AromaticContact CE1-CZ 3.72Å; F607-F671 HydrophobicContact CE1-CZ 3.72Å; F607-F671 HydrophobicContact CZ-CD1 4.33Å; F607-F671 AromaticContact CZ-CE1 3.86Å; F607-F671 HydrophobicContact CZ-CE1 3.86Å; F607-F671 AromaticContact CZ-CZ 3.99Å; F607-F671 HydrophobicContact CZ-CZ 3.99Å; F607-P704 HydrophobicContact CE2-CB 3.82Å; F607-P704 HydrophobicContact CE2-CG 3.96Å; F607-P704 HydrophobicContact CZ-CB 3.9Å; F607-P704 HydrophobicContact CZ-CG 4.41Å; F607-K773 HydrophobicContact CE1-CB 4.28Å; F607-K773 HydrophobicContact CE1-CD 4.15Å; F607-K773 HydrophobicContact CE1-CG 3.98Å; F607-K773 HydrophobicContact CE2-CG 4.21Å; F607-K773 HydrophobicContact CZ-CB 4.29Å; F607-K773 HydrophobicContact CZ-CD 3.94Å; F607-K773 HydrophobicContact CZ-CG 3.59Å; F607-L776 HydrophobicContact CB-CD1 3.66Å; F607-L776 HydrophobicContact CD2-CD1 3.43Å; F607-L776 VanDerWaalsContact CD2-CD1 3.43Å; F607-L776 HydrophobicContact CE2-CD1 4.32Å; F607-L776 HydrophobicContact CG-CD1 3.67Å; F607-R777 PolarHBondContact O-NH2 3.06Å
608	S	97.3	Very high	96.6	Very high	54 Å²	54	30.1 Å²	30.1	38%	0.378	15%	0.154	S	C	.	.	S	Bend	trans	51.4	43.1	-175.7	-167.4	0	0	0	0	112.5	G605 T606 H611	G605-S608 WeakPolarHBondContact O-CA 3.47Å; G605-S608 PolarHBondContact O-N 2.9Å; T606-S608 VanDerWaalsContact C-N 3.27Å; T606-S608 PolarHBondContact O-N 3.18Å; S608-H611 PolarHBondContact O-NE2 3.35Å; S608-H611 PolarHBondContact OG-CE1 3.19Å; S608-H611 VanDerWaalsContact OG-CE1 3.23Å; S608-H611 PolarHBondContact OG-NE2 3.21Å
609	Q	96.8	Very high	96.1	Very high	18 Å²	18	33.2 Å²	33.2	8%	0.084	17%	0.173	C	C	.	.			trans	-103.5	-32.3	-174	77.8	-73.8	2.3	0	0	113.2	H561 S578 F607 L776	H561-Q609 PolarHBondContact CE1-O 3.38Å; S578-Q609 WeakPolarHBondContact CB-O 3.5Å; S578-Q609 PolarHBondContact OG-O 3.43Å; F607-Q609 VanDerWaalsContact C-OE1 3.24Å; F607-Q609 VanDerWaalsContact CA-OE1 3.3Å; F607-Q609 PolarHBondContact O-N 3.22Å; Q609-L776 HydrophobicContact CB-CD1 4.32Å; Q609-L776 HydrophobicContact CG-CD1 3.99Å; Q609-L776 HydrophobicContact CG-CD2 4.08Å
610	R	97.9	Very high	95.6	Very high	9 Å²	9	36.1 Å²	36.1	3%	0.034	19%	0.188	C	C	.	.			trans	-89.8	-57.3	-161.8	-176.9	175.9	-62.4	109.4	-0	112.4	H561 E581 V602 R604 A612 E668	H561-R610 PolarHBondContact CE1-O 2.77Å; E581-R610 VanDerWaalsContact CD-NE 3.25Å; E581-R610 IonicContact OE1-CZ 3.76Å; E581-R610 IonicContact OE1-NE 2.71Å; E581-R610 PolarHBondContact OE1-NE 3.43Å; E581-R610 VanDerWaalsContact OE1-NE 3.11Å; E581-R610 IonicContact OE1-NH2 3.26Å; E581-R610 PolarHBondContact OE1-NH2 3.08Å; E581-R610 WeakPolarHBondContact OE2-CD 3.48Å; E581-R610 WeakPolarHBondContact OE2-CG 3.49Å; E581-R610 IonicContact OE2-CZ 3.92Å; E581-R610 IonicContact OE2-NE 3.23Å; E581-R610 PolarHBondContact OE2-NE 3.27Å; E581-R610 IonicContact OE2-NH2 2.98Å; V602-R610 WeakPolarHBondContact O-CD 3.4Å; V602-R610 PolarHBondContact O-NH1 3.12Å; R604-R610 PolarHBondContact O-N 2.85Å; R610-A612 HydrophobicContact CG-CB 3.86Å; R610-A612 PolarHBondContact O-N 2.97Å; R610-E668 IonicContact CZ-OE1 3.98Å; R610-E668 IonicContact CZ-OE2 2.83Å; R610-E668 IonicContact NH1-OE1 2.8Å; R610-E668 IonicContact NH1-OE2 3.55Å; R610-E668 PolarHBondContact NH1-OE2 3.47Å; R610-E668 IonicContact NH2-OE1 3.66Å; R610-E668 PolarHBondContact NH2-OE1 2.93Å; R610-E668 IonicContact NH2-OE2 3.66Å; R610-E668 PolarHBondContact NH2-OE2 2.85Å
611	H	97.8	Very high	95.2	Very high	12 Å²	12	36.2 Å²	36.2	6%	0.056	19%	0.189	C	C	.	.			trans	49.9	41.3	-176.1	-57	-73.9	0	0	0	113.6	L557 H561 G603 R604 S608 M613 L614	L557-H611 WeakPolarHBondContact CD2-CE1 3.43Å; L557-H611 WeakPolarHBondContact CD2-NE2 3.49Å; H561-H611 AromaticContact CE1-CD2 3.8Å; H561-H611 AromaticContact CG-CD2 3.97Å; H561-H611 AromaticContact ND1-CD2 3.61Å; G603-H611 CarbonylContact O-C 2.87Å; G603-H611 WeakPolarHBondContact O-CA 3.43Å; R604-H611 PolarHBondContact O-N 2.96Å; R604-H611 VanDerWaalsContact O-N 3.09Å; S608-H611 PolarHBondContact O-NE2 3.35Å; S608-H611 PolarHBondContact OG-CE1 3.19Å; S608-H611 VanDerWaalsContact OG-CE1 3.23Å; S608-H611 PolarHBondContact OG-NE2 3.21Å; H611-M613 PolarHBondContact O-N 3.03Å; H611-L614 HydrophobicContact CB-CD2 3.93Å
612	A	97.5	Very high	95	Very high	13 Å²	13	34.2 Å²	34.2	11%	0.107	18%	0.179	C	C	.	.	S	Bend	trans	-66.3	-27.5	172.4	0	0	0	0	0	111.4	G603 R610 L637 V639	G603-A612 PolarHBondContact O-N 3.06Å; R610-A612 HydrophobicContact CG-CB 3.86Å; R610-A612 PolarHBondContact O-N 2.97Å; A612-L637 HydrophobicContact CB-CD2 4.31Å; A612-V639 HydrophobicContact CB-CG2 4.27Å
613	M	96.1	Very high	94.9	Very high	20 Å²	20	35.9 Å²	35.9	10%	0.099	19%	0.185	C	C	.	.	S	Bend	trans	-110.7	124.3	168.4	-177.3	-172	81	0	0	108.9	Y27 G603 H611 V615 T622 V639 N641	Y27-M613 HydrophobicContact CD1-CE 4.27Å; Y27-M613 HydrophobicContact CE1-CE 4.03Å; G603-M613 PolarHBondContact O-N 2.87Å; G603-M613 VanDerWaalsContact O-N 3.13Å; H611-M613 PolarHBondContact O-N 3.03Å; M613-V615 HydrophobicContact CE-CG2 4.05Å; M613-T622 HydrophobicContact CE-CG2 4.35Å; M613-T622 HydrophobicContact CG-CG2 4.26Å; M613-T622 HydrophobicContact SD-CG2 3.86Å; M613-V639 HydrophobicContact CB-CG1 4.24Å; M613-N641 WeakPolarHBondContact CE-ND2 3.2Å
614	L	95.6	Very high	94.9	Very high	7 Å²	7	36.2 Å²	36.2	4%	0.037	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	149.8	173.3	-58	179.2	0	0	0	109.5	I547 L553 H611 T622 Y623 P625	I547-L614 HydrophobicContact CD1-CD1 3.68Å; I547-L614 HydrophobicContact CG1-CD1 3.57Å; L553-L614 HydrophobicContact CD1-CB 4.35Å; L553-L614 HydrophobicContact CD1-CD2 4.05Å; H611-L614 HydrophobicContact CB-CD2 3.93Å; L614-T622 CarbonylContact O-C 3.57Å; L614-T622 WeakPolarHBondContact O-CA 3.33Å; L614-Y623 PolarHBondContact N-O 3.31Å; L614-Y623 PolarHBondContact O-N 3.46Å; L614-P625 HydrophobicContact CD1-CG 3.67Å; L614-P625 HydrophobicContact CG-CG 4.18Å
615	V	94.2	Very high	94.8	Very high	32 Å²	32	31.1 Å²	31.1	19%	0.194	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124	-178.1	-175.8	0	0	0	0	109.3	Y27 M613 Q617 N620 D621 T622	Y27-V615 HydrophobicContact CD1-CG2 4.13Å; Y27-V615 HydrophobicContact CE1-CG2 3.95Å; M613-V615 HydrophobicContact CE-CG2 4.05Å; V615-Q617 PolarHBondContact O-N 2.64Å; V615-Q617 PolarHBondContact O-NE2 2.66Å; V615-N620 HydrophobicContact CG1-CB 4.48Å; V615-D621 WeakPolarHBondContact CA-O 3.27Å; V615-T622 HydrophobicContact CG2-CG2 4.35Å
616	C	93.6	Very high	94.9	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.007	17%	0.17	C	C	.	.			trans	-64.1	124.6	174.1	-175.3	0	0	0	0	110.1	I551 C552 D618 T619 N620 D621	I551-C616 HydrophobicContact CD1-CB 4.12Å; I551-C616 HydrophobicContact CG2-CB 4.25Å; C552-C616 PolarHBondContact N-SG 2.85Å; C552-C616 VanDerWaalsContact N-SG 3.41Å; C552-C616 CarbonylContact O-C 3.54Å; C552-C616 WeakPolarHBondContact O-CA 3.45Å; C616-D618 PolarHBondContact O-N 3.25Å; C616-T619 WeakPolarHBondContact CB-OG1 3.28Å; C616-T619 PolarHBondContact SG-OG1 3.18Å; C616-T619 VanDerWaalsContact SG-OG1 3.36Å; C616-N620 VanDerWaalsContact O-CA 3.32Å; C616-N620 WeakPolarHBondContact O-CA 3.44Å; C616-N620 PolarHBondContact O-N 2.98Å; C616-D621 HydrophobicContact CB-CB 4.1Å; C616-D621 PolarHBondContact N-O 3.4Å
617	Q	93	Very high	94.9	Very high	100 Å²	100	30.9 Å²	30.9	47%	0.467	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-21.8	-179.6	-61.8	-58.5	-84.9	0	0	113.2	C552 H554 V615	C552-Q617 WeakPolarHBondContact O-CG 3.49Å; C552-Q617 PolarHBondContact O-N 3.22Å; H554-Q617 HydrophobicContact CB-CG 4.08Å; V615-Q617 PolarHBondContact O-N 2.64Å; V615-Q617 PolarHBondContact O-NE2 2.66Å
618	D	90.9	Very high	94.9	Very high	125 Å²	125	33.8 Å²	33.8	67%	0.668	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-29.9	-177.6	-59.9	-20.5	0	0	0	112.2	C552 C616	C552-D618 HydrophobicContact CB-CB 4.43Å; C552-D618 WeakPolarHBondContact CB-OD2 3.42Å; C616-D618 PolarHBondContact O-N 3.25Å
619	T	87.9	Confident	94.9	Very high	65 Å²	65	31.6 Å²	31.6	40%	0.399	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128	-7.5	-168.4	65.6	0	0	0	0	115.3	C616 D621	C616-T619 WeakPolarHBondContact CB-OG1 3.28Å; C616-T619 PolarHBondContact SG-OG1 3.18Å; C616-T619 VanDerWaalsContact SG-OG1 3.36Å; T619-D621 PolarHBondContact O-N 3.32Å; T619-D621 VanDerWaalsContact O-N 3.14Å; T619-D621 VanDerWaalsContact OG1-CB 3.29Å; T619-D621 WeakPolarHBondContact OG1-CB 3.41Å; T619-D621 VanDerWaalsContact OG1-CG 3.23Å; T619-D621 PolarHBondContact OG1-N 3.48Å; T619-D621 PolarHBondContact OG1-OD2 2.87Å
620	N	89.1	Confident	94.8	Very high	61 Å²	61	32.7 Å²	32.7	33%	0.326	17%	0.174	S	C	.	.			trans	58.7	6.9	-165	-61.3	-20.8	0	0	0	115.2	S26 H28 V615 C616 T622	S26-N620 PolarHBondContact O-ND2 3.46Å; H28-N620 HydrophobicContact CB-CB 4.15Å; H28-N620 PolarHBondContact N-O 3.4Å; H28-N620 CarbonylContact O-C 3.48Å; V615-N620 HydrophobicContact CG1-CB 4.48Å; C616-N620 VanDerWaalsContact O-CA 3.32Å; C616-N620 WeakPolarHBondContact O-CA 3.44Å; C616-N620 PolarHBondContact O-N 2.98Å; N620-T622 PolarHBondContact O-N 2.95Å
621	D	90.1	Very high	94.6	Very high	14 Å²	14	38.2 Å²	38.2	8%	0.075	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-56.2	128	175.6	-78.3	-40.4	0	0	0	110.8	H28 E30 I551 V615 C616 T619	H28-D621 CarbonylContact O-C 3.57Å; H28-D621 WeakPolarHBondContact O-CA 3.47Å; E30-D621 PolarHBondContact N-OD1 3.15Å; I551-D621 HydrophobicContact CD1-CB 4.28Å; V615-D621 WeakPolarHBondContact CA-O 3.27Å; C616-D621 HydrophobicContact CB-CB 4.1Å; C616-D621 PolarHBondContact N-O 3.4Å; T619-D621 PolarHBondContact O-N 3.32Å; T619-D621 VanDerWaalsContact O-N 3.14Å; T619-D621 VanDerWaalsContact OG1-CB 3.29Å; T619-D621 WeakPolarHBondContact OG1-CB 3.41Å; T619-D621 VanDerWaalsContact OG1-CG 3.23Å; T619-D621 PolarHBondContact OG1-N 3.48Å; T619-D621 PolarHBondContact OG1-OD2 2.87Å
622	T	92.7	Very high	94.4	Very high	15 Å²	15	44.7 Å²	44.7	9%	0.092	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	145.9	173.7	86.1	0	0	0	0	112.3	Y27 H28 T29 V33 M613 L614 V615 N620	Y27-T622 HydrophobicContact CD1-CG2 4.16Å; Y27-T622 HydrophobicContact CG-CG2 4.38Å; H28-T622 PolarHBondContact O-N 3.1Å; H28-T622 VanDerWaalsContact O-N 3.1Å; T29-T622 HydrophobicContact CG2-CG2 3.78Å; T29-T622 WeakPolarHBondContact CG2-OG1 3.48Å; V33-T622 WeakPolarHBondContact CG1-OG1 3.16Å; M613-T622 HydrophobicContact CE-CG2 4.35Å; M613-T622 HydrophobicContact CG-CG2 4.26Å; M613-T622 HydrophobicContact SD-CG2 3.86Å; L614-T622 CarbonylContact O-C 3.57Å; L614-T622 WeakPolarHBondContact O-CA 3.33Å; V615-T622 HydrophobicContact CG2-CG2 4.35Å; N620-T622 PolarHBondContact O-N 2.95Å
623	Y	95.1	Very high	94.3	Very high	35 Å²	35	45.5 Å²	45.5	14%	0.137	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	133.9	179.4	-178.6	-103.2	0	0	0	110	D546 P548 I551 L614 P625 H628	D546-Y623 WeakPolarHBondContact O-CE1 3.08Å; P548-Y623 HydrophobicContact CG-CD2 4.35Å; P548-Y623 HydrophobicContact CG-CE1 4.34Å; P548-Y623 HydrophobicContact CG-CE2 3.97Å; I551-Y623 HydrophobicContact CG1-CG 4.34Å; L614-Y623 PolarHBondContact N-O 3.31Å; L614-Y623 PolarHBondContact O-N 3.46Å; Y623-P625 HydrophobicContact CD1-CG 3.87Å; Y623-P625 HydrophobicContact CE1-CB 4.02Å; Y623-P625 HydrophobicContact CE1-CG 3.83Å; Y623-P625 WeakPolarHBondContact O-CD 3.35Å; Y623-H628 AromaticContact CD2-NE2 4Å; Y623-H628 AromaticContact CE2-CD2 3.21Å; Y623-H628 WeakPolarHBondContact CE2-CD2 3.21Å; Y623-H628 AromaticContact CE2-CG 3.94Å; Y623-H628 AromaticContact CE2-NE2 3.4Å; Y623-H628 WeakPolarHBondContact CE2-NE2 3.36Å; Y623-H628 AromaticContact CZ-CD2 3.37Å; Y623-H628 AromaticContact CZ-CG 3.92Å; Y623-H628 WeakPolarHBondContact OH-CB 3.49Å; Y623-H628 PolarHBondContact OH-CD2 3.31Å
624	V	97.2	Very high	94.3	Very high	7 Å²	7	49 Å²	49	4%	0.042	27%	0.266	C	S	.	.			trans	-113.3	96.6	179.8	179.1	0	0	0	0	108.6	V33 L626 N627 H628 L637 V639	V33-V624 HydrophobicContact CG1-CG2 4.45Å; V624-L626 VanDerWaalsContact C-N 3.27Å; V624-L626 PolarHBondContact O-N 2.99Å; V624-N627 HydrophobicContact CB-CB 4.4Å; V624-N627 HydrophobicContact CG1-CB 4.31Å; V624-N627 WeakPolarHBondContact CG1-ND2 3.48Å; V624-N627 WeakPolarHBondContact O-CB 3.41Å; V624-N627 PolarHBondContact O-N 3.31Å; V624-H628 PolarHBondContact O-CD2 3.01Å; V624-L637 HydrophobicContact CG1-CD2 4.07Å; V624-L637 HydrophobicContact CG1-CG 4.44Å; V624-V639 HydrophobicContact CG1-CG2 4.24Å; V624-V639 HydrophobicContact CG2-CG2 4.22Å
625	P	97.8	Very high	94.3	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.013	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-57.5	-35.3	-172.1	-26.3	33.7	0	0	0	114.6	K543 S544 L614 Y623 N627 H628	K543-P625 WeakPolarHBondContact O-CB 3.46Å; S544-P625 WeakPolarHBondContact O-CB 3.39Å; L614-P625 HydrophobicContact CD1-CG 3.67Å; L614-P625 HydrophobicContact CG-CG 4.18Å; Y623-P625 HydrophobicContact CD1-CG 3.87Å; Y623-P625 HydrophobicContact CE1-CB 4.02Å; Y623-P625 HydrophobicContact CE1-CG 3.83Å; Y623-P625 WeakPolarHBondContact O-CD 3.35Å; P625-N627 PolarHBondContact O-N 2.87Å; P625-N627 VanDerWaalsContact O-N 3.17Å; P625-H628 PolarHBondContact O-N 3.43Å
626	L	98.4	Very high	94.5	Very high	7 Å²	7	49.9 Å²	49.9	4%	0.037	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-67.4	-12.6	178.6	-72.2	176.3	0	0	0	113.8	V540 F585 L589 V624 H628 I629 L637	V540-L626 HydrophobicContact CG1-CD2 4.4Å; F585-L626 HydrophobicContact CB-CD1 3.88Å; F585-L626 HydrophobicContact CD2-CD1 4.35Å; L589-L626 HydrophobicContact CD1-CB 3.91Å; L589-L626 WeakPolarHBondContact CD1-O 3.23Å; V624-L626 VanDerWaalsContact C-N 3.27Å; V624-L626 PolarHBondContact O-N 2.99Å; L626-H628 VanDerWaalsContact C-N 3.26Å; L626-I629 HydrophobicContact CD2-CD1 3.99Å; L626-I629 HydrophobicContact CD2-CG1 4.33Å; L626-I629 WeakPolarHBondContact O-CD1 3.47Å; L626-I629 WeakPolarHBondContact O-CG1 3.47Å; L626-L637 HydrophobicContact CB-CD2 4.27Å; L626-L637 HydrophobicContact CD1-CD2 4.04Å
627	N	97.8	Very high	94.8	Very high	11 Å²	11	49.9 Å²	49.9	6%	0.059	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-88.5	11.2	168.9	-70.3	-23	0	0	0	112.7	V624 P625 Q633 F636 L637	V624-N627 HydrophobicContact CB-CB 4.4Å; V624-N627 HydrophobicContact CG1-CB 4.31Å; V624-N627 WeakPolarHBondContact CG1-ND2 3.48Å; V624-N627 WeakPolarHBondContact O-CB 3.41Å; V624-N627 PolarHBondContact O-N 3.31Å; P625-N627 PolarHBondContact O-N 2.87Å; P625-N627 VanDerWaalsContact O-N 3.17Å; N627-Q633 PolarHBondContact O-NE2 3.45Å; N627-F636 HydrophobicContact CB-CD1 4.39Å; N627-L637 PolarHBondContact ND2-O 2.84Å; N627-L637 PolarHBondContact OD1-N 3.35Å; N627-L637 PolarHBondContact OD1-O 3.06Å
628	H	96.9	Very high	95	Very high	102 Å²	102	45.1 Å²	45.1	47%	0.472	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-137.9	35.8	178	-57.9	-78.5	0	0	0	111.5	Y623 V624 P625 L626	Y623-H628 AromaticContact CD2-NE2 4Å; Y623-H628 AromaticContact CE2-CD2 3.21Å; Y623-H628 WeakPolarHBondContact CE2-CD2 3.21Å; Y623-H628 AromaticContact CE2-CG 3.94Å; Y623-H628 AromaticContact CE2-NE2 3.4Å; Y623-H628 WeakPolarHBondContact CE2-NE2 3.36Å; Y623-H628 AromaticContact CZ-CD2 3.37Å; Y623-H628 AromaticContact CZ-CG 3.92Å; Y623-H628 WeakPolarHBondContact OH-CB 3.49Å; Y623-H628 PolarHBondContact OH-CD2 3.31Å; V624-H628 PolarHBondContact O-CD2 3.01Å; P625-H628 PolarHBondContact O-N 3.43Å; L626-H628 VanDerWaalsContact C-N 3.26Å
629	I	96.9	Very high	95.4	Very high	7 Å²	7	39.6 Å²	39.6	4%	0.036	22%	0.215	C	C	.	.	S	Bend	trans	-67.9	-47.4	177.7	-62.6	167.6	0	0	0	109.8	F539 K543 L589 L626 Q633	F539-I629 HydrophobicContact CD1-CG2 4.3Å; F539-I629 HydrophobicContact CE1-CG2 3.53Å; F539-I629 HydrophobicContact CZ-CG2 4.23Å; K543-I629 HydrophobicContact CB-CG1 4.24Å; K543-I629 HydrophobicContact CG-CG2 4.38Å; L589-I629 HydrophobicContact CB-CD1 4.34Å; L589-I629 HydrophobicContact CD1-CD1 4.26Å; L626-I629 HydrophobicContact CD2-CD1 3.99Å; L626-I629 HydrophobicContact CD2-CG1 4.33Å; L626-I629 WeakPolarHBondContact O-CD1 3.47Å; L626-I629 WeakPolarHBondContact O-CG1 3.47Å; I629-Q633 VanDerWaalsContact N-OE1 3.09Å
630	S	94.8	Very high	95.9	Very high	42 Å²	42	36.5 Å²	36.5	29%	0.294	20%	0.196	S	C	.	.			trans	-149.4	144.4	179.1	173.7	0	0	0	0	110.9	Q632 Q633	S630-Q632 PolarHBondContact O-N 2.95Å; S630-Q632 PolarHBondContact OG-N 2.84Å; S630-Q632 PolarHBondContact OG-OE1 3.47Å; S630-Q633 WeakPolarHBondContact O-CB 3.49Å; S630-Q633 VanDerWaalsContact O-CG 3.28Å; S630-Q633 WeakPolarHBondContact O-CG 3.46Å; S630-Q633 PolarHBondContact O-N 3.13Å; S630-Q633 PolarHBondContact O-OE1 2.88Å
631	P	93.2	Very high	96.3	Very high	125 Å²	125	35.9 Å²	35.9	81%	0.812	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-24.3	173.4	-21.5	32.8	0	0	0	114.1
632	Q	93.7	Very high	96.7	Very high	148 Å²	148	36 Å²	36	69%	0.692	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	2.9	-179.6	-65.3	74.9	29.2	0	0	113.5	S630	S630-Q632 PolarHBondContact O-N 2.95Å; S630-Q632 PolarHBondContact OG-N 2.84Å; S630-Q632 PolarHBondContact OG-OE1 3.47Å
633	Q	95.3	Very high	97	Very high	29 Å²	29	36.7 Å²	36.7	14%	0.136	20%	0.199	C	C	.	.			trans	-63.5	142.1	-178.2	78.3	-168.6	15.7	0	0	111.1	N627 I629 S630 F636	N627-Q633 PolarHBondContact O-NE2 3.45Å; I629-Q633 VanDerWaalsContact N-OE1 3.09Å; S630-Q633 WeakPolarHBondContact O-CB 3.49Å; S630-Q633 VanDerWaalsContact O-CG 3.28Å; S630-Q633 WeakPolarHBondContact O-CG 3.46Å; S630-Q633 PolarHBondContact O-N 3.13Å; S630-Q633 PolarHBondContact O-OE1 2.88Å; Q633-F636 HydrophobicContact CG-CE1 4.12Å; Q633-F636 HydrophobicContact CG-CZ 4.22Å
634	T	95.4	Very high	97.1	Very high	95 Å²	95	42.1 Å²	42.1	58%	0.583	23%	0.23	S	C	*	.			trans	-111.2	-25.3	179	54.1	0	0	0	0	112.5	G592 H594 F636	G592-T634 WeakPolarHBondContact CA-OG1 3.31Å; H594-T634 PolarHBondContact CE1-O 3.04Å; T634-F636 WeakPolarHBondContact O-CD2 3.42Å; T634-F636 WeakPolarHBondContact O-CE2 3.47Å
635	G	97.1	Very high	97.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.23	C	C	.	.			trans	-83.9	142.2	170.9	0	0	0	0	0	111.3	F593	F593-G635 VanDerWaalsContact O-CA 3.3Å; F593-G635 WeakPolarHBondContact O-CA 3.3Å
636	F	98.4	Very high	97.3	Very high	57 Å²	57	44.1 Å²	44.1	25%	0.25	24%	0.239	C	C	.	.			trans	-135.6	149.1	178.2	-63.6	-88.7	0	0	0	111	Y34 L589 H594 I595 N627 Q633 T634	Y34-F636 HydrophobicContact CD1-CB 3.53Å; Y34-F636 HydrophobicContact CD1-CG 4.41Å; Y34-F636 HydrophobicContact CD2-CB 3.58Å; Y34-F636 AromaticContact CD2-CD1 3.9Å; Y34-F636 HydrophobicContact CD2-CD1 3.9Å; Y34-F636 AromaticContact CD2-CD2 3.95Å; Y34-F636 HydrophobicContact CD2-CD2 3.95Å; Y34-F636 AromaticContact CD2-CG 3.54Å; Y34-F636 HydrophobicContact CD2-CG 3.54Å; Y34-F636 HydrophobicContact CE1-CB 3.61Å; Y34-F636 HydrophobicContact CE1-CG 4.49Å; Y34-F636 HydrophobicContact CE2-CB 3.67Å; Y34-F636 HydrophobicContact CE2-CD1 4.4Å; Y34-F636 AromaticContact CE2-CD2 3.6Å; Y34-F636 HydrophobicContact CE2-CD2 3.6Å; Y34-F636 HydrophobicContact CE2-CE2 4.35Å; Y34-F636 AromaticContact CE2-CG 3.64Å; Y34-F636 HydrophobicContact CE2-CG 3.64Å; Y34-F636 HydrophobicContact CG-CB 3.51Å; Y34-F636 HydrophobicContact CG-CD1 4.26Å; Y34-F636 AromaticContact CG-CG 3.95Å; Y34-F636 HydrophobicContact CG-CG 3.95Å; L589-F636 WeakPolarHBondContact CD2-O 3.47Å; H594-F636 WeakPolarHBondContact CA-O 3.47Å; H594-F636 PolarHBondContact ND1-N 2.92Å; I595-F636 PolarHBondContact N-O 3.31Å; N627-F636 HydrophobicContact CB-CD1 4.39Å; Q633-F636 HydrophobicContact CG-CE1 4.12Å; Q633-F636 HydrophobicContact CG-CZ 4.22Å; T634-F636 WeakPolarHBondContact O-CD2 3.42Å; T634-F636 WeakPolarHBondContact O-CE2 3.47Å
637	L	98.8	Very high	97.3	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	116.4	172.3	174.3	63	0	0	0	109.8	F585 L589 I595 I597 A612 V624 L626 N627 V639	F585-L637 HydrophobicContact CD2-CD1 4.26Å; F585-L637 HydrophobicContact CD2-CD2 4.21Å; F585-L637 HydrophobicContact CE2-CD1 4.4Å; L589-L637 HydrophobicContact CD1-CB 4.07Å; L589-L637 HydrophobicContact CD2-CB 4.44Å; I595-L637 HydrophobicContact CB-CD1 3.78Å; I595-L637 HydrophobicContact CG2-CD1 3.59Å; I595-L637 CarbonylContact O-C 3.56Å; I595-L637 VanDerWaalsContact O-CA 3.31Å; I595-L637 WeakPolarHBondContact O-CA 3.49Å; I597-L637 HydrophobicContact CG2-CD1 4.06Å; A612-L637 HydrophobicContact CB-CD2 4.31Å; V624-L637 HydrophobicContact CG1-CD2 4.07Å; V624-L637 HydrophobicContact CG1-CG 4.44Å; L626-L637 HydrophobicContact CB-CD2 4.27Å; L626-L637 HydrophobicContact CD1-CD2 4.04Å; N627-L637 PolarHBondContact ND2-O 2.84Å; N627-L637 PolarHBondContact OD1-N 3.35Å; N627-L637 PolarHBondContact OD1-O 3.06Å; L637-V639 HydrophobicContact CD1-CG2 4.46Å; L637-V639 HydrophobicContact CD2-CG2 3.93Å; L637-V639 HydrophobicContact CG-CG2 3.85Å
638	E	98.6	Very high	97.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	116.9	167.3	-161	177.9	-167.7	0	0	109.4	Y34 G35 R308 Y319 H359 I595 R596 I597	Y34-E638 HydrophobicContact CD1-CB 4.05Å; Y34-E638 HydrophobicContact CD1-CG 4.46Å; Y34-E638 HydrophobicContact CE1-CB 4.36Å; G35-E638 WeakPolarHBondContact CA-OE1 3.34Å; R308-E638 IonicContact NH2-OE1 2.74Å; R308-E638 PolarHBondContact NH2-OE1 2.7Å; Y319-E638 VanDerWaalsContact OH-CD 3.24Å; Y319-E638 PolarHBondContact OH-OE1 3.48Å; Y319-E638 PolarHBondContact OH-OE2 3.15Å; H359-E638 IonicContact CG-OE1 3.95Å; H359-E638 IonicContact ND1-OE1 2.97Å; H359-E638 PolarHBondContact ND1-OE1 3.32Å; H359-E638 VanDerWaalsContact ND1-OE1 3.08Å; I595-E638 PolarHBondContact O-N 2.9Å; R596-E638 WeakPolarHBondContact CA-O 3.49Å; R596-E638 HydrophobicContact CB-CB 4.5Å; R596-E638 HydrophobicContact CG-CB 4.43Å; R596-E638 IonicContact CZ-OE2 3.73Å; R596-E638 IonicContact NH1-OE1 3.57Å; R596-E638 PolarHBondContact NH1-OE1 3.03Å; R596-E638 IonicContact NH1-OE2 2.92Å; R596-E638 PolarHBondContact NH1-OE2 3.04Å; I597-E638 PolarHBondContact N-O 3.3Å
639	V	98.4	Very high	97.4	Very high	9 Å²	9	39.9 Å²	39.9	6%	0.055	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	111.3	177.4	-179.3	0	0	0	0	108.5	I597 V602 A612 M613 V624 L637	I597-V639 HydrophobicContact CG2-CB 4.46Å; I597-V639 HydrophobicContact CG2-CG1 4.4Å; I597-V639 HydrophobicContact CG2-CG2 4.22Å; V602-V639 HydrophobicContact CG2-CG1 4.41Å; A612-V639 HydrophobicContact CB-CG2 4.27Å; M613-V639 HydrophobicContact CB-CG1 4.24Å; V624-V639 HydrophobicContact CG1-CG2 4.24Å; V624-V639 HydrophobicContact CG2-CG2 4.22Å; L637-V639 HydrophobicContact CD1-CG2 4.46Å; L637-V639 HydrophobicContact CD2-CG2 3.93Å; L637-V639 HydrophobicContact CG-CG2 3.85Å
640	C	98.1	Very high	97.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	89.2	-171.1	-42.4	0	0	0	0	109	H359 Y360 R596 I597 S598 G599 V602 S642	H359-C640 HydrophobicContact CB-CB 3.94Å; Y360-C640 HydrophobicContact CE2-CB 4.37Å; R596-C640 PolarHBondContact NH1-SG 3.02Å; I597-C640 PolarHBondContact O-N 2.83Å; S598-C640 WeakPolarHBondContact CA-O 3.4Å; G599-C640 PolarHBondContact N-O 2.89Å; V602-C640 WeakPolarHBondContact CG2-O 3.12Å; C640-S642 PolarHBondContact O-N 3.18Å
641	N	98.2	Very high	97.7	Very high	47 Å²	47	37.5 Å²	37.5	25%	0.251	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	107.2	167.2	-68.9	-36	0	0	0	107.7	G599 D601 V602 G603 M613	G599-N641 WeakPolarHBondContact O-CA 3.42Å; D601-N641 VanDerWaalsContact C-OD1 3.31Å; V602-N641 PolarHBondContact N-OD1 3.24Å; V602-N641 VanDerWaalsContact N-OD1 3.15Å; G603-N641 PolarHBondContact N-OD1 3.26Å; M613-N641 WeakPolarHBondContact CE-ND2 3.2Å
642	S	98.4	Very high	98	Very high	16 Å²	16	31.6 Å²	31.6	11%	0.112	17%	0.165	C	C	.	.			trans	-73.9	160	-175.8	76.6	0	0	0	0	111.3	Y360 G599 Q600 C640	Y360-S642 WeakPolarHBondContact OH-CA 3.39Å; Y360-S642 WeakPolarHBondContact OH-CB 3.44Å; G599-S642 WeakPolarHBondContact CA-OG 3.42Å; G599-S642 PolarHBondContact O-N 3.06Å; G599-S642 PolarHBondContact O-OG 3.3Å; Q600-S642 PolarHBondContact N-OG 3.46Å; C640-S642 PolarHBondContact O-N 3.18Å
643	P	98.1	Very high	98.3	Very high	30 Å²	30	24.5 Å²	24.5	20%	0.195	13%	0.132	C	C	.	.			trans	-63.2	173.7	159.1	31.7	-35.6	0	0	0	110.4	T353 L354 L357 S645 V649	T353-P643 HydrophobicContact CG2-CB 4.42Å; L354-P643 HydrophobicContact CD2-CG 3.54Å; L357-P643 HydrophobicContact CD1-CB 3.97Å; L357-P643 HydrophobicContact CD1-CG 3.68Å; P643-S645 PolarHBondContact O-N 3.19Å; P643-V649 HydrophobicContact CG-CG2 4.3Å
644	L	98.6	Very high	98.4	Very high	149 Å²	149	23.2 Å²	23.2	78%	0.78	13%	0.126	S	C	*	.	S	Bend	trans	-75.3	67.9	175	-66.9	175.3	0	0	0	110.9	Q600	Q600-L644 HydrophobicContact CG-CD2 3.95Å
645	S	98.7	Very high	98.6	Very high	8 Å²	8	18.7 Å²	18.7	6%	0.056	10%	0.098	C	C	.	.			trans	-140.6	134.9	174.6	152.8	0	0	0	0	108.5	E350 P643 V649	E350-S645 WeakPolarHBondContact OE2-CB 3.5Å; E350-S645 PolarHBondContact OE2-OG 3.36Å; P643-S645 PolarHBondContact O-N 3.19Å; S645-V649 WeakPolarHBondContact O-CB 3.21Å; S645-V649 WeakPolarHBondContact O-CG2 3.37Å
646	E	98.9	Very high	98.7	Very high	43 Å²	43	18.7 Å²	18.7	20%	0.201	10%	0.098	C	C	.	.	S	Bend	trans	-99.8	-43.9	171.7	-65.2	75.3	-158.9	0	0	111.3	Q600 L650 W667 A678	Q600-E646 PolarHBondContact NE2-OE1 3.41Å; E646-L650 WeakPolarHBondContact O-CB 3.41Å; E646-L650 PolarHBondContact O-N 3.48Å; E646-W667 HydrophobicContact CB-CZ2 4.11Å; E646-W667 HydrophobicContact CG-CZ2 4.08Å; E646-A678 HydrophobicContact CB-CB 4.14Å
647	E	98.9	Very high	98.7	Very high	31 Å²	31	16.1 Å²	16.1	15%	0.145	9%	0.087	C	C	.	.	H	α-helix	trans	-68.4	-57.1	-169.5	-165.1	174.5	-142.3	0	0	112	I347 G651 A678 I681	I347-E647 HydrophobicContact CD1-CG 3.69Å; I347-E647 HydrophobicContact CG1-CB 4.42Å; I347-E647 HydrophobicContact CG1-CG 3.97Å; E647-G651 PolarHBondContact O-N 3.48Å; E647-G651 VanDerWaalsContact O-N 3.08Å; E647-A678 HydrophobicContact CB-CB 4.5Å; E647-I681 HydrophobicContact CG-CG1 4.32Å
648	A	98.9	Very high	98.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-67.3	-39.1	178.2	0	0	0	0	0	112.4	P301 I347 E350 L354 G651 F652	P301-A648 HydrophobicContact CB-CB 4.07Å; P301-A648 WeakPolarHBondContact CB-O 3.08Å; P301-A648 HydrophobicContact CG-CB 4.32Å; I347-A648 HydrophobicContact CG1-CB 4.06Å; E350-A648 HydrophobicContact CB-CB 3.5Å; E350-A648 PolarHBondContact OE2-N 3.08Å; L354-A648 HydrophobicContact CD1-CB 4.04Å; A648-G651 PolarHBondContact O-N 2.97Å; A648-F652 WeakPolarHBondContact O-CB 3.41Å; A648-F652 PolarHBondContact O-N 3.36Å
649	V	98.9	Very high	98.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63.1	-46.6	179.2	175.3	0	0	0	0	110.8	L354 Y360 P643 S645 G651 F652 E653	L354-V649 HydrophobicContact CD2-CG2 4.1Å; Y360-V649 HydrophobicContact CE1-CG1 4.29Å; P643-V649 HydrophobicContact CG-CG2 4.3Å; S645-V649 WeakPolarHBondContact O-CB 3.21Å; S645-V649 WeakPolarHBondContact O-CG2 3.37Å; V649-G651 VanDerWaalsContact C-N 3.34Å; V649-G651 PolarHBondContact O-N 3.38Å; V649-F652 WeakPolarHBondContact O-CB 3.3Å; V649-F652 PolarHBondContact O-N 2.89Å; V649-E653 WeakPolarHBondContact O-CG 3.42Å; V649-E653 PolarHBondContact O-N 3.34Å
650	L	98.9	Very high	98	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65.9	-38.2	178.3	-175.8	63.2	0	0	0	111.7	E646 F652 E653 Y654 W667 A678 I681 F682 I686 M699	E646-L650 WeakPolarHBondContact O-CB 3.41Å; E646-L650 PolarHBondContact O-N 3.48Å; L650-F652 VanDerWaalsContact C-N 3.33Å; L650-F652 PolarHBondContact O-N 2.8Å; L650-E653 PolarHBondContact O-N 3.11Å; L650-Y654 PolarHBondContact O-N 3.41Å; L650-W667 HydrophobicContact CB-CD2 4.47Å; L650-W667 HydrophobicContact CD1-CB 3.85Å; L650-W667 HydrophobicContact CD1-CD2 3.67Å; L650-W667 HydrophobicContact CD1-CE3 3.86Å; L650-W667 HydrophobicContact CD1-CG 3.66Å; L650-A678 HydrophobicContact CB-CB 4Å; L650-A678 HydrophobicContact CD2-CB 3.61Å; L650-A678 HydrophobicContact CG-CB 4.43Å; L650-I681 HydrophobicContact CB-CG2 4.41Å; L650-I681 HydrophobicContact CD2-CB 4.12Å; L650-I681 HydrophobicContact CD2-CG2 4.1Å; L650-I681 HydrophobicContact CG-CB 4.28Å; L650-I681 HydrophobicContact CG-CG2 3.84Å; L650-F682 HydrophobicContact CD2-CD1 4.35Å; L650-F682 HydrophobicContact CD2-CD2 3.76Å; L650-F682 HydrophobicContact CD2-CE1 4.02Å; L650-F682 HydrophobicContact CD2-CE2 3.3Å; L650-F682 HydrophobicContact CD2-CG 4.26Å; L650-F682 HydrophobicContact CD2-CZ 3.46Å; L650-F682 VanDerWaalsContact CD2-CZ 3.46Å; L650-I686 HydrophobicContact CD1-CD1 4Å; L650-I686 HydrophobicContact CD2-CD1 3.87Å; L650-I686 HydrophobicContact CG-CD1 4.01Å; L650-M699 HydrophobicContact CD1-CE 3.72Å
651	G	98.9	Very high	97.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-58.5	-44	172.2	0	0	0	0	0	112.2	V302 E647 A648 V649 Y654 G655	V302-G651 VanDerWaalsContact CA-O 3.32Å; V302-G651 WeakPolarHBondContact CA-O 3.38Å; V302-G651 WeakPolarHBondContact CG2-O 3.36Å; E647-G651 PolarHBondContact O-N 3.48Å; E647-G651 VanDerWaalsContact O-N 3.08Å; A648-G651 PolarHBondContact O-N 2.97Å; V649-G651 VanDerWaalsContact C-N 3.34Å; V649-G651 PolarHBondContact O-N 3.38Å; G651-Y654 WeakPolarHBondContact O-CB 3.37Å; G651-Y654 PolarHBondContact O-N 2.97Å; G651-G655 PolarHBondContact O-N 2.8Å
652	F	98.9	Very high	97.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-59.7	-47.8	175.5	-170.6	-76.7	0	0	0	111.8	P301 Q304 G305 R308 L354 Y360 A648 V649 L650 Y654 G655 M656	P301-F652 HydrophobicContact CB-CB 4.5Å; P301-F652 VanDerWaalsContact O-CA 3.31Å; P301-F652 WeakPolarHBondContact O-CA 3.34Å; Q304-F652 HydrophobicContact CB-CD2 3.97Å; Q304-F652 HydrophobicContact CB-CE2 3.92Å; G305-F652 WeakPolarHBondContact CA-O 3.48Å; R308-F652 HydrophobicContact CB-CE1 4.11Å; R308-F652 HydrophobicContact CB-CE2 4.36Å; R308-F652 HydrophobicContact CB-CZ 3.51Å; R308-F652 HydrophobicContact CG-CE1 4.14Å; R308-F652 HydrophobicContact CG-CZ 3.72Å; L354-F652 HydrophobicContact CD1-CB 4.39Å; L354-F652 HydrophobicContact CD1-CD2 4.23Å; Y360-F652 AromaticContact CD1-CD1 3.81Å; Y360-F652 HydrophobicContact CD1-CD1 3.81Å; Y360-F652 HydrophobicContact CD1-CD2 4.08Å; Y360-F652 AromaticContact CD1-CE1 3.88Å; Y360-F652 HydrophobicContact CD1-CE1 3.88Å; Y360-F652 HydrophobicContact CD1-CE2 4.12Å; Y360-F652 AromaticContact CD1-CG 3.92Å; Y360-F652 HydrophobicContact CD1-CG 3.92Å; Y360-F652 HydrophobicContact CD1-CZ 4.02Å; Y360-F652 HydrophobicContact CE1-CD1 4.15Å; Y360-F652 HydrophobicContact CE1-CE1 4.47Å; Y360-F652 HydrophobicContact CE1-CG 4.42Å; Y360-F652 VanDerWaalsContact O-CE2 3.29Å; Y360-F652 WeakPolarHBondContact O-CE2 3.21Å; Y360-F652 WeakPolarHBondContact O-CZ 3.1Å; A648-F652 WeakPolarHBondContact O-CB 3.41Å; A648-F652 PolarHBondContact O-N 3.36Å; V649-F652 WeakPolarHBondContact O-CB 3.3Å; V649-F652 PolarHBondContact O-N 2.89Å; L650-F652 VanDerWaalsContact C-N 3.33Å; L650-F652 PolarHBondContact O-N 2.8Å; F652-Y654 VanDerWaalsContact C-N 3.29Å; F652-Y654 PolarHBondContact O-N 2.95Å; F652-G655 WeakPolarHBondContact O-CA 2.99Å; F652-G655 PolarHBondContact O-N 3.43Å; F652-G655 VanDerWaalsContact O-N 3.1Å; F652-M656 HydrophobicContact CD1-CG 3.92Å; F652-M656 HydrophobicContact CE1-CG 3.75Å; F652-M656 HydrophobicContact CE1-SD 3.97Å; F652-M656 PolarHBondContact O-N 2.93Å
653	E	98.9	Very high	97.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-66	-31.7	178.8	-60.3	-48.6	141.7	0	0	112.6	R596 S598 V649 L650 M656 S657 W667 M699	R596-E653 VanDerWaalsContact CD-OE2 3.3Å; R596-E653 WeakPolarHBondContact CD-OE2 3.46Å; R596-E653 IonicContact CZ-OE1 3.89Å; R596-E653 IonicContact CZ-OE2 3.05Å; R596-E653 VanDerWaalsContact NE-CD 3.33Å; R596-E653 IonicContact NE-OE1 3.93Å; R596-E653 PolarHBondContact NE-OE1 2.82Å; R596-E653 VanDerWaalsContact NE-OE1 3.09Å; R596-E653 IonicContact NE-OE2 3.65Å; R596-E653 PolarHBondContact NE-OE2 2.97Å; R596-E653 IonicContact NH2-OE1 2.74Å; R596-E653 PolarHBondContact NH2-OE1 3.21Å; R596-E653 IonicContact NH2-OE2 3.62Å; S598-E653 WeakPolarHBondContact CB-OE1 3.36Å; S598-E653 PolarHBondContact OG-OE1 3.01Å; V649-E653 WeakPolarHBondContact O-CG 3.42Å; V649-E653 PolarHBondContact O-N 3.34Å; L650-E653 PolarHBondContact O-N 3.11Å; E653-M656 WeakPolarHBondContact O-CB 3.47Å; E653-M656 PolarHBondContact O-N 2.91Å; E653-S657 PolarHBondContact O-N 2.84Å; E653-W667 HydrophobicContact CG-CB 4.44Å; E653-M699 HydrophobicContact CB-CE 3.44Å; E653-M699 VanDerWaalsContact CB-CE 3.44Å
654	Y	98.9	Very high	97.7	Very high	2 Å²	2	19 Å²	19	1%	0.008	9%	0.09	C	C	.	.	H	α-helix	trans	-62.2	-45.4	169.6	-179.2	-96.8	0	0	0	111.4	V302 L650 G651 F652 M656 S657 I658 F685 I686 C697 M699	V302-Y654 HydrophobicContact CG1-CD1 3.66Å; V302-Y654 HydrophobicContact CG1-CE1 4.17Å; V302-Y654 HydrophobicContact CG2-CD1 4.18Å; L650-Y654 PolarHBondContact O-N 3.41Å; G651-Y654 WeakPolarHBondContact O-CB 3.37Å; G651-Y654 PolarHBondContact O-N 2.97Å; F652-Y654 VanDerWaalsContact C-N 3.29Å; F652-Y654 PolarHBondContact O-N 2.95Å; Y654-M656 VanDerWaalsContact C-N 3.33Å; Y654-M656 PolarHBondContact O-N 3Å; Y654-S657 WeakPolarHBondContact O-CB 3.29Å; Y654-S657 PolarHBondContact O-N 3.29Å; Y654-S657 VanDerWaalsContact O-N 3.07Å; Y654-S657 PolarHBondContact O-OG 2.71Å; Y654-I658 HydrophobicContact CD1-CD1 4.45Å; Y654-I658 HydrophobicContact CD1-CG2 4.42Å; Y654-I658 HydrophobicContact CD2-CG2 4.45Å; Y654-I658 HydrophobicContact CE1-CD1 3.99Å; Y654-I658 HydrophobicContact CE1-CG2 3.86Å; Y654-I658 HydrophobicContact CE2-CG2 3.94Å; Y654-I658 PolarHBondContact O-N 2.97Å; Y654-I658 VanDerWaalsContact O-N 3.16Å; Y654-F685 HydrophobicContact CD1-CB 3.87Å; Y654-F685 AromaticContact CD1-CD1 3.85Å; Y654-F685 HydrophobicContact CD1-CD1 3.85Å; Y654-F685 HydrophobicContact CD1-CG 4.1Å; Y654-F685 HydrophobicContact CD2-CB 4.12Å; Y654-F685 HydrophobicContact CE1-CB 3.74Å; Y654-F685 AromaticContact CE1-CD1 3.47Å; Y654-F685 HydrophobicContact CE1-CD1 3.47Å; Y654-F685 VanDerWaalsContact CE1-CD1 3.47Å; Y654-F685 HydrophobicContact CE1-CE1 4.44Å; Y654-F685 AromaticContact CE1-CG 4Å; Y654-F685 HydrophobicContact CE1-CG 4Å; Y654-F685 HydrophobicContact CE2-CB 3.96Å; Y654-F685 HydrophobicContact CG-CB 4.08Å; Y654-I686 HydrophobicContact CD2-CG1 4.01Å; Y654-C697 HydrophobicContact CD2-CB 4.46Å; Y654-C697 HydrophobicContact CE2-CB 3.94Å; Y654-M699 WeakPolarHBondContact CA-SD 3.31Å; Y654-M699 HydrophobicContact CD2-SD 4.17Å; Y654-M699 PolarHBondContact N-SD 3.19Å
655	G	98.7	Very high	97.7	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-56.9	-42.8	173.2	0	0	0	0	0	113.4	V302 K306 G651 F652 S657 I658	V302-G655 WeakPolarHBondContact O-CA 3.4Å; K306-G655 WeakPolarHBondContact CA-O 3.4Å; G651-G655 PolarHBondContact O-N 2.8Å; F652-G655 WeakPolarHBondContact O-CA 2.99Å; F652-G655 PolarHBondContact O-N 3.43Å; F652-G655 VanDerWaalsContact O-N 3.1Å; G655-S657 VanDerWaalsContact C-N 3.3Å; G655-S657 PolarHBondContact O-N 3.42Å; G655-I658 WeakPolarHBondContact O-CG1 3.15Å
656	M	98.7	Very high	97.7	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-59.2	-43.1	174.2	-69.7	-68.5	-69	0	0	111.4	R308 A309 F652 E653 Y654 A659 L663	R308-M656 HydrophobicContact CB-SD 3.68Å; R308-M656 HydrophobicContact CG-CE 4.34Å; R308-M656 HydrophobicContact CG-SD 3.74Å; A309-M656 HydrophobicContact CB-CE 4.12Å; A309-M656 HydrophobicContact CB-SD 3.64Å; A309-M656 PolarHBondContact N-SD 2.88Å; A309-M656 VanDerWaalsContact N-SD 3.37Å; F652-M656 HydrophobicContact CD1-CG 3.92Å; F652-M656 HydrophobicContact CE1-CG 3.75Å; F652-M656 HydrophobicContact CE1-SD 3.97Å; F652-M656 PolarHBondContact O-N 2.93Å; E653-M656 WeakPolarHBondContact O-CB 3.47Å; E653-M656 PolarHBondContact O-N 2.91Å; Y654-M656 VanDerWaalsContact C-N 3.33Å; Y654-M656 PolarHBondContact O-N 3Å; M656-A659 PolarHBondContact O-N 3.39Å; M656-L663 HydrophobicContact CB-CD2 4.07Å; M656-L663 HydrophobicContact CE-CD2 4.15Å
657	S	98.1	Very high	97.7	Very high	3 Å²	3	9.7 Å²	9.7	2%	0.021	4%	0.042	C	C	.	.	H	α-helix	trans	-68.5	-41.3	-173.5	80.6	0	0	0	0	114.7	E653 Y654 G655 A659 P665 C697	E653-S657 PolarHBondContact O-N 2.84Å; Y654-S657 WeakPolarHBondContact O-CB 3.29Å; Y654-S657 PolarHBondContact O-N 3.29Å; Y654-S657 VanDerWaalsContact O-N 3.07Å; Y654-S657 PolarHBondContact O-OG 2.71Å; G655-S657 VanDerWaalsContact C-N 3.3Å; G655-S657 PolarHBondContact O-N 3.42Å; S657-A659 PolarHBondContact O-N 2.99Å; S657-P665 VanDerWaalsContact CB-CG 3.46Å; S657-C697 PolarHBondContact OG-SG 3.39Å
658	I	97.3	Very high	97.7	Very high	12 Å²	12	8.5 Å²	8.5	6%	0.062	4%	0.036	C	C	.	.	H	α-helix	trans	-77.9	-9.6	-176.5	62.2	171.5	0	0	0	112.4	L290 V302 W515 Y654 G655 L695 C697	L290-I658 HydrophobicContact CD2-CD1 3.92Å; V302-I658 HydrophobicContact CG1-CD1 4.29Å; W515-I658 WeakPolarHBondContact CZ2-O 3.46Å; Y654-I658 HydrophobicContact CD1-CD1 4.45Å; Y654-I658 HydrophobicContact CD1-CG2 4.42Å; Y654-I658 HydrophobicContact CD2-CG2 4.45Å; Y654-I658 HydrophobicContact CE1-CD1 3.99Å; Y654-I658 HydrophobicContact CE1-CG2 3.86Å; Y654-I658 HydrophobicContact CE2-CG2 3.94Å; Y654-I658 PolarHBondContact O-N 2.97Å; Y654-I658 VanDerWaalsContact O-N 3.16Å; G655-I658 WeakPolarHBondContact O-CG1 3.15Å; I658-L695 HydrophobicContact CD1-CD1 3.99Å; I658-L695 HydrophobicContact CG2-CB 4.27Å; I658-C697 HydrophobicContact CG2-CB 4.39Å
659	A	94.8	Very high	97.7	Very high	2 Å²	2	8.6 Å²	8.6	2%	0.017	4%	0.037	C	C	.	.	H	α-helix	trans	-89.4	-33.8	-179.2	0	0	0	0	0	112.3	K306 A309 R310 M656 S657	K306-A659 HydrophobicContact CG-CB 4.11Å; A309-A659 HydrophobicContact CB-CB 3.43Å; A309-A659 VanDerWaalsContact CB-CB 3.43Å; R310-A659 PolarHBondContact NH1-O 2.9Å; R310-A659 VanDerWaalsContact NH2-C 3.32Å; R310-A659 PolarHBondContact NH2-O 3.09Å; M656-A659 PolarHBondContact O-N 3.39Å; S657-A659 PolarHBondContact O-N 2.99Å
660	Q	90.8	Very high	97.7	Very high	5 Å²	5	11 Å²	11	2%	0.023	5%	0.049	C	C	.	.			trans	-129.1	113.9	-167.7	-67.3	-175.1	2.9	0	0	113	A309 L313 R662 L663	A309-Q660 HydrophobicContact CB-CG 4.17Å; A309-Q660 PolarHBondContact O-NE2 3.42Å; L313-Q660 HydrophobicContact CD1-CG 3.99Å; L313-Q660 HydrophobicContact CD2-CG 3.77Å; L313-Q660 HydrophobicContact CG-CG 3.7Å; Q660-R662 VanDerWaalsContact C-N 3.25Å; Q660-R662 PolarHBondContact O-N 3.21Å; Q660-L663 HydrophobicContact CB-CB 3.81Å; Q660-L663 PolarHBondContact O-N 3.26Å
661	P	93.9	Very high	97.7	Very high	15 Å²	15	12.6 Å²	12.6	10%	0.097	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-17.7	178	27.3	-32.3	0	0	0	113.3	R514 W515 L518 M759 R764	R514-P661 WeakPolarHBondContact O-CG 3.22Å; W515-P661 HydrophobicContact CD2-CB 4.02Å; W515-P661 HydrophobicContact CD2-CG 4.34Å; W515-P661 HydrophobicContact CE3-CB 4.14Å; W515-P661 HydrophobicContact CG-CG 4.44Å; W515-P661 HydrophobicContact CH2-CB 4.39Å; W515-P661 HydrophobicContact CZ2-CB 4.31Å; W515-P661 HydrophobicContact CZ3-CB 4.3Å; L518-P661 HydrophobicContact CD1-CB 3.53Å; L518-P661 HydrophobicContact CG-CB 4.45Å; P661-M759 WeakPolarHBondContact O-CE 3.31Å; P661-R764 VanDerWaalsContact O-CZ 3.23Å; P661-R764 PolarHBondContact O-NE 2.85Å; P661-R764 PolarHBondContact O-NH2 3.42Å
662	R	95.8	Very high	97.6	Very high	128 Å²	128	12.6 Å²	12.6	48%	0.483	6%	0.055	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	15.7	-179.1	-63.2	-170.9	66.7	94.6	3.6	114.2	Q591 G592 F593 H594 Q660	Q591-R662 PolarHBondContact O-NH2 3.35Å; G592-R662 PolarHBondContact O-NH2 2.94Å; F593-R662 HydrophobicContact CD1-CB 4.15Å; F593-R662 HydrophobicContact CE1-CG 4.48Å; H594-R662 PolarHBondContact N-O 3.32Å; Q660-R662 VanDerWaalsContact C-N 3.25Å; Q660-R662 PolarHBondContact O-N 3.21Å
663	L	98.2	Very high	97.6	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.005	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	136.3	172.6	179.8	62.7	0	0	0	109.7	H594 R596 M656 Q660 P665 M759	H594-L663 HydrophobicContact CB-CD1 3.79Å; H594-L663 CarbonylContact O-C 3.3Å; H594-L663 WeakPolarHBondContact O-CA 3.39Å; R596-L663 HydrophobicContact CB-CD1 3.93Å; M656-L663 HydrophobicContact CB-CD2 4.07Å; M656-L663 HydrophobicContact CE-CD2 4.15Å; Q660-L663 HydrophobicContact CB-CB 3.81Å; Q660-L663 PolarHBondContact O-N 3.26Å; L663-P665 VanDerWaalsContact C-CD 3.47Å; L663-P665 HydrophobicContact CD2-CB 4.29Å; L663-P665 HydrophobicContact CG-CB 4.36Å; L663-P665 HydrophobicContact CG-CG 4.46Å; L663-P665 WeakPolarHBondContact O-CD 3.4Å; L663-M759 VanDerWaalsContact C-CE 3.43Å; L663-M759 WeakPolarHBondContact O-CE 3.25Å; L663-M759 VanDerWaalsContact O-SD 3.33Å
664	L	98.8	Very high	97.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	94.6	161.2	180	59.2	0	0	0	108.8	L588 H594 I595 R596 I666 V700 L755 Q758 M759	L588-L664 HydrophobicContact CD1-CD2 3.61Å; H594-L664 PolarHBondContact O-N 3.17Å; I595-L664 WeakPolarHBondContact CA-O 3.32Å; I595-L664 HydrophobicContact CG1-CB 4.21Å; I595-L664 HydrophobicContact CG2-CB 4.47Å; R596-L664 PolarHBondContact N-O 3.42Å; L664-I666 HydrophobicContact CD2-CD1 4.16Å; L664-I666 HydrophobicContact CG-CD1 4.19Å; L664-I666 HydrophobicContact CG-CG1 4.05Å; L664-V700 HydrophobicContact CD1-CG2 3.8Å; L664-L755 HydrophobicContact CD2-CD2 4.46Å; L664-Q758 HydrophobicContact CD1-CB 3.63Å; L664-Q758 HydrophobicContact CD1-CG 4.04Å; L664-M759 HydrophobicContact CB-CG 3.84Å; L664-M759 HydrophobicContact CB-SD 3.68Å; L664-M759 HydrophobicContact CD1-CG 4.16Å; L664-M759 HydrophobicContact CD1-SD 3.94Å; L664-M759 HydrophobicContact CD2-CG 4.43Å; L664-M759 HydrophobicContact CG-CG 4.36Å; L664-M759 HydrophobicContact CG-SD 4.38Å
665	P	98.4	Very high	97.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	128.1	175.9	28.5	-25.5	0	0	0	110.1	S657 L663 M699 V700	S657-P665 VanDerWaalsContact CB-CG 3.46Å; L663-P665 VanDerWaalsContact C-CD 3.47Å; L663-P665 HydrophobicContact CD2-CB 4.29Å; L663-P665 HydrophobicContact CG-CB 4.36Å; L663-P665 HydrophobicContact CG-CG 4.46Å; L663-P665 WeakPolarHBondContact O-CD 3.4Å; P665-M699 HydrophobicContact CB-CG 4.22Å; P665-M699 HydrophobicContact CG-CB 4.49Å; P665-M699 HydrophobicContact CG-CG 3.81Å; P665-M699 WeakPolarHBondContact O-CA 3.37Å; P665-V700 PolarHBondContact O-N 3.47Å
666	I	98.9	Very high	97.6	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	121.4	-179.8	-51.1	177.3	0	0	0	107.6	F585 I595 R596 I597 S598 L664 V700 L755	F585-I666 HydrophobicContact CE1-CD1 3.38Å; F585-I666 HydrophobicContact CZ-CD1 3.4Å; F585-I666 VanDerWaalsContact CZ-CD1 3.4Å; I595-I666 HydrophobicContact CG2-CD1 4.23Å; R596-I666 PolarHBondContact O-N 3.31Å; I597-I666 WeakPolarHBondContact CA-O 3.26Å; I597-I666 HydrophobicContact CB-CB 4.39Å; I597-I666 HydrophobicContact CD1-CG2 4.48Å; I597-I666 HydrophobicContact CG1-CB 4.19Å; I597-I666 HydrophobicContact CG1-CG2 4.2Å; S598-I666 PolarHBondContact N-O 2.96Å; L664-I666 HydrophobicContact CD2-CD1 4.16Å; L664-I666 HydrophobicContact CG-CD1 4.19Å; L664-I666 HydrophobicContact CG-CG1 4.05Å; I666-V700 WeakPolarHBondContact CA-O 3.11Å; I666-V700 HydrophobicContact CB-CB 4.43Å; I666-V700 HydrophobicContact CG1-CB 4.09Å; I666-V700 HydrophobicContact CG1-CG2 4.43Å; I666-V700 HydrophobicContact CG2-CB 4.24Å; I666-V700 HydrophobicContact CG2-CG1 4.35Å; I666-L755 HydrophobicContact CD1-CD2 3.97Å
667	W	98.9	Very high	97.6	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.015	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126.6	166.9	-179.5	83.7	0	0	0	109.3	S598 E646 L650 E653 A669 F682 M699 V700 I701 L702 L703	S598-W667 VanDerWaalsContact O-CA 3.31Å; S598-W667 WeakPolarHBondContact O-CA 3.35Å; E646-W667 HydrophobicContact CB-CZ2 4.11Å; E646-W667 HydrophobicContact CG-CZ2 4.08Å; L650-W667 HydrophobicContact CB-CD2 4.47Å; L650-W667 HydrophobicContact CD1-CB 3.85Å; L650-W667 HydrophobicContact CD1-CD2 3.67Å; L650-W667 HydrophobicContact CD1-CE3 3.86Å; L650-W667 HydrophobicContact CD1-CG 3.66Å; E653-W667 HydrophobicContact CG-CB 4.44Å; W667-A669 HydrophobicContact CH2-CB 3.61Å; W667-A669 HydrophobicContact CZ2-CB 4.31Å; W667-A669 HydrophobicContact CZ3-CB 3.81Å; W667-F682 HydrophobicContact CZ3-CZ 4.07Å; W667-M699 HydrophobicContact CB-CE 4.18Å; W667-V700 PolarHBondContact N-O 3.15Å; W667-I701 HydrophobicContact CE3-CG2 3.78Å; W667-I701 HydrophobicContact CZ3-CG2 4Å; W667-I701 WeakPolarHBondContact O-CA 2.94Å; W667-L702 PolarHBondContact O-N 3.05Å; W667-L703 HydrophobicContact CZ3-CD2 3.84Å
668	E	98.9	Very high	97.6	Very high	6 Å²	6	20.6 Å²	20.6	3%	0.028	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	119.4	177.9	-179.4	177.4	-121.9	0	0	109.6	S598 V602 R610 L702	S598-E668 PolarHBondContact O-N 2.88Å; V602-E668 HydrophobicContact CG1-CB 3.86Å; V602-E668 HydrophobicContact CG1-CG 4.47Å; R610-E668 IonicContact CZ-OE1 3.98Å; R610-E668 IonicContact CZ-OE2 2.83Å; R610-E668 IonicContact NH1-OE1 2.8Å; R610-E668 IonicContact NH1-OE2 3.55Å; R610-E668 PolarHBondContact NH1-OE2 3.47Å; R610-E668 IonicContact NH2-OE1 3.66Å; R610-E668 PolarHBondContact NH2-OE1 2.93Å; R610-E668 IonicContact NH2-OE2 3.66Å; R610-E668 PolarHBondContact NH2-OE2 2.85Å; E668-L702 WeakPolarHBondContact CA-O 3.31Å; E668-L702 HydrophobicContact CB-CB 4.14Å; E668-L702 HydrophobicContact CB-CD2 4.35Å; E668-L702 HydrophobicContact CG-CB 4.17Å; E668-L702 HydrophobicContact CG-CD2 3.93Å; E668-L702 HydrophobicContact CG-CG 4.1Å; E668-L702 WeakPolarHBondContact OE1-CD2 3.29Å
669	A	98.7	Very high	97.7	Very high	3 Å²	3	21.5 Å²	21.5	3%	0.025	11%	0.109	C	C	.	.			trans	-72.8	144.2	168.1	0	0	0	0	0	109.5	W667 F671 L702 L703 P704	W667-A669 HydrophobicContact CH2-CB 3.61Å; W667-A669 HydrophobicContact CZ2-CB 4.31Å; W667-A669 HydrophobicContact CZ3-CB 3.81Å; A669-F671 VanDerWaalsContact C-N 3.3Å; A669-F671 VanDerWaalsContact CB-O 3.24Å; A669-F671 WeakPolarHBondContact CB-O 3.47Å; A669-F671 PolarHBondContact O-N 2.98Å; A669-L702 PolarHBondContact N-O 3.05Å; A669-L702 VanDerWaalsContact N-O 3.1Å; A669-L703 HydrophobicContact CB-CD2 3.79Å; A669-P704 VanDerWaalsContact O-CD 3.24Å; A669-P704 WeakPolarHBondContact O-CD 3.49Å
670	Q	98.1	Very high	97.9	Very high	51 Å²	51	23.4 Å²	23.4	24%	0.238	12%	0.118	C	C	.	.	S	Bend	trans	-58.5	-46.2	179.3	-168.8	-177.5	77.4	0	0	111.3	Q600 D601 T606 F674	Q600-Q670 HydrophobicContact CB-CB 4.4Å; D601-Q670 PolarHBondContact OD2-NE2 2.79Å; T606-Q670 HydrophobicContact CG2-CG 3.53Å; T606-Q670 WeakPolarHBondContact OG1-CG 3.45Å; T606-Q670 PolarHBondContact OG1-O 2.93Å; Q670-F674 HydrophobicContact CB-CD2 4.2Å; Q670-F674 HydrophobicContact CB-CE2 4.34Å
671	F	98.2	Very high	98.3	Very high	32 Å²	32	23.1 Å²	23.1	14%	0.14	12%	0.117	C	C	.	.	S	Bend	trans	-127.5	148.9	160.7	-75.5	-99.4	0	0	0	108.4	T606 F607 A669 D673 F674 H714 K773	T606-F671 HydrophobicContact CG2-CE2 3.94Å; T606-F671 HydrophobicContact CG2-CZ 4.49Å; F607-F671 AromaticContact CE1-CE1 3.8Å; F607-F671 HydrophobicContact CE1-CE1 3.8Å; F607-F671 AromaticContact CE1-CZ 3.72Å; F607-F671 HydrophobicContact CE1-CZ 3.72Å; F607-F671 HydrophobicContact CZ-CD1 4.33Å; F607-F671 AromaticContact CZ-CE1 3.86Å; F607-F671 HydrophobicContact CZ-CE1 3.86Å; F607-F671 AromaticContact CZ-CZ 3.99Å; F607-F671 HydrophobicContact CZ-CZ 3.99Å; A669-F671 VanDerWaalsContact C-N 3.3Å; A669-F671 VanDerWaalsContact CB-O 3.24Å; A669-F671 WeakPolarHBondContact CB-O 3.47Å; A669-F671 PolarHBondContact O-N 2.98Å; F671-D673 PolarHBondContact O-N 3.2Å; F671-D673 VanDerWaalsContact O-N 3.09Å; F671-F674 HydrophobicContact CB-CD2 4.07Å; F671-F674 HydrophobicContact CB-CE2 3.84Å; F671-F674 HydrophobicContact CB-CZ 4.28Å; F671-F674 AromaticContact CD2-CE2 3.96Å; F671-F674 HydrophobicContact CD2-CE2 3.96Å; F671-F674 HydrophobicContact CD2-CZ 4.48Å; F671-F674 HydrophobicContact CG-CE2 4.34Å; F671-F674 PolarHBondContact O-N 3.32Å; F671-H714 HydrophobicContact CD1-CB 4.02Å; F671-H714 AromaticContact CD1-CD2 3.76Å; F671-H714 AromaticContact CD2-CD2 3.62Å; F671-H714 HydrophobicContact CE1-CB 4.14Å; F671-H714 AromaticContact CE1-CD2 3.75Å; F671-H714 AromaticContact CE2-CD2 3.63Å; F671-H714 AromaticContact CG-CD2 3.7Å; F671-H714 AromaticContact CZ-CD2 3.69Å; F671-K773 HydrophobicContact CD1-CD 3.9Å; F671-K773 HydrophobicContact CE1-CD 3.74Å
672	G	98.4	Very high	98.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-60.9	-23.1	-176.6	0	0	0	0	0	113.1	F674 F675 P704 C717	G672-F674 VanDerWaalsContact C-N 3.29Å; G672-F674 PolarHBondContact O-N 2.87Å; G672-F675 WeakPolarHBondContact O-CD1 3.39Å; G672-P704 VanDerWaalsContact CA-O 3.32Å; G672-P704 WeakPolarHBondContact CA-O 3.5Å; G672-P704 PolarHBondContact N-O 2.95Å; G672-C717 WeakPolarHBondContact O-CA 3.4Å
673	D	98.6	Very high	98.6	Very high	11 Å²	11	19.8 Å²	19.8	6%	0.059	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-62.5	-30.3	178.9	-52.9	-115.9	0	0	0	113.3	F671 F675 N676 P712 E713 H714 S715 S716	F671-D673 PolarHBondContact O-N 3.2Å; F671-D673 VanDerWaalsContact O-N 3.09Å; D673-F675 VanDerWaalsContact C-N 3.32Å; D673-F675 PolarHBondContact O-N 3.32Å; D673-N676 PolarHBondContact O-OD1 3.48Å; D673-N676 VanDerWaalsContact O-OD1 3.1Å; D673-P712 VanDerWaalsContact OD1-O 3.08Å; D673-E713 VanDerWaalsContact CB-O 3.24Å; D673-E713 WeakPolarHBondContact CB-O 3.41Å; D673-E713 VanDerWaalsContact CG-O 3.26Å; D673-E713 VanDerWaalsContact OD1-C 3.23Å; D673-H714 PolarHBondContact OD1-N 2.92Å; D673-S715 PolarHBondContact OD1-N 3.48Å; D673-S715 PolarHBondContact OD2-N 3.29Å; D673-S715 VanDerWaalsContact OD2-N 3.14Å; D673-S716 VanDerWaalsContact CA-O 3.29Å; D673-S716 WeakPolarHBondContact CA-O 3.42Å; D673-S716 PolarHBondContact OD1-N 3.05Å; D673-S716 VanDerWaalsContact OD1-O 3.1Å; D673-S716 PolarHBondContact OD2-N 3.5Å
674	F	98.7	Very high	98.7	Very high	52 Å²	52	20.2 Å²	20.2	23%	0.228	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-81.7	-4	-173.3	-53.9	-35.5	0	0	0	114.7	Q670 F671 G672 N676 G677 E713 H714	Q670-F674 HydrophobicContact CB-CD2 4.2Å; Q670-F674 HydrophobicContact CB-CE2 4.34Å; F671-F674 HydrophobicContact CB-CD2 4.07Å; F671-F674 HydrophobicContact CB-CE2 3.84Å; F671-F674 HydrophobicContact CB-CZ 4.28Å; F671-F674 AromaticContact CD2-CE2 3.96Å; F671-F674 HydrophobicContact CD2-CE2 3.96Å; F671-F674 HydrophobicContact CD2-CZ 4.48Å; F671-F674 HydrophobicContact CG-CE2 4.34Å; F671-F674 PolarHBondContact O-N 3.32Å; G672-F674 VanDerWaalsContact C-N 3.29Å; G672-F674 PolarHBondContact O-N 2.87Å; F674-N676 PolarHBondContact O-N 2.89Å; F674-N676 PolarHBondContact O-OD1 3.34Å; F674-G677 PolarHBondContact O-N 3.42Å; F674-E713 HydrophobicContact CE1-CB 4.32Å; F674-H714 AromaticContact CZ-NE2 3.98Å
675	F	98.7	Very high	98.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-55.8	-26.6	177.8	84.4	-79	0	0	0	113.5	G672 D673 G677 A678 F682 L703 C717 R718 F722	G672-F675 WeakPolarHBondContact O-CD1 3.39Å; D673-F675 VanDerWaalsContact C-N 3.32Å; D673-F675 PolarHBondContact O-N 3.32Å; F675-G677 PolarHBondContact O-N 3.05Å; F675-A678 PolarHBondContact O-N 3.34Å; F675-F682 HydrophobicContact CB-CE2 3.79Å; F675-F682 HydrophobicContact CB-CZ 4.01Å; F675-F682 AromaticContact CD2-CD2 3.98Å; F675-F682 HydrophobicContact CD2-CD2 3.98Å; F675-F682 AromaticContact CD2-CE2 3.74Å; F675-F682 HydrophobicContact CD2-CE2 3.74Å; F675-F682 HydrophobicContact CD2-CZ 4.24Å; F675-F682 HydrophobicContact CG-CE2 4.27Å; F675-F682 WeakPolarHBondContact O-CE2 3.2Å; F675-L703 HydrophobicContact CB-CD1 4.49Å; F675-L703 HydrophobicContact CB-CD2 3.87Å; F675-C717 WeakPolarHBondContact CE1-O 3.48Å; F675-R718 HydrophobicContact CE1-CB 3.71Å; F675-R718 HydrophobicContact CE1-CG 3.86Å; F675-R718 HydrophobicContact CZ-CB 3.8Å; F675-R718 HydrophobicContact CZ-CG 4.27Å; F675-F722 HydrophobicContact CB-CZ 4.5Å; F675-F722 HydrophobicContact CD1-CE2 4.4Å; F675-F722 HydrophobicContact CD2-CE1 4.27Å; F675-F722 AromaticContact CD2-CE2 3.82Å; F675-F722 HydrophobicContact CD2-CE2 3.82Å; F675-F722 AromaticContact CD2-CZ 3.32Å; F675-F722 HydrophobicContact CD2-CZ 3.32Å; F675-F722 HydrophobicContact CE1-CE2 4.28Å; F675-F722 HydrophobicContact CE2-CE1 4.37Å; F675-F722 AromaticContact CE2-CE2 3.71Å; F675-F722 HydrophobicContact CE2-CE2 3.71Å; F675-F722 AromaticContact CE2-CZ 3.52Å; F675-F722 HydrophobicContact CE2-CZ 3.52Å; F675-F722 HydrophobicContact CG-CE2 4.14Å; F675-F722 AromaticContact CG-CZ 3.87Å; F675-F722 HydrophobicContact CG-CZ 3.87Å; F675-F722 AromaticContact CZ-CE2 3.93Å; F675-F722 HydrophobicContact CZ-CE2 3.93Å; F675-F722 HydrophobicContact CZ-CZ 4.22Å
676	N	98.3	Very high	98.7	Very high	73 Å²	73	20.6 Å²	20.6	39%	0.39	11%	0.112	S	C	.	.	G	3₁₀ helix	trans	-67.2	-18.1	-174.6	62.9	-23	0	0	0	113.3	D673 F674 A678 Q679	D673-N676 PolarHBondContact O-OD1 3.48Å; D673-N676 VanDerWaalsContact O-OD1 3.1Å; F674-N676 PolarHBondContact O-N 2.89Å; F674-N676 PolarHBondContact O-OD1 3.34Å; N676-A678 PolarHBondContact O-N 3.45Å; N676-Q679 WeakPolarHBondContact O-CB 3.47Å; N676-Q679 PolarHBondContact O-N 2.93Å
677	G	98.7	Very high	98.7	Very high	38 Å²	38	21.3 Å²	21.3	39%	0.392	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	-61.6	-30.7	167.5	0	0	0	0	0	112.4	F674 F675	F674-G677 PolarHBondContact O-N 3.42Å; F675-G677 PolarHBondContact O-N 3.05Å
678	A	98.8	Very high	98.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-101.3	23.4	179.6	0	0	0	0	0	113.6	E646 E647 L650 F675 N676 I680 I681 F682	E646-A678 HydrophobicContact CB-CB 4.14Å; E647-A678 HydrophobicContact CB-CB 4.5Å; L650-A678 HydrophobicContact CB-CB 4Å; L650-A678 HydrophobicContact CD2-CB 3.61Å; L650-A678 HydrophobicContact CG-CB 4.43Å; F675-A678 PolarHBondContact O-N 3.34Å; N676-A678 PolarHBondContact O-N 3.45Å; A678-I680 VanDerWaalsContact C-N 3.27Å; A678-I680 PolarHBondContact O-N 3.4Å; A678-I681 WeakPolarHBondContact O-CB 3.38Å; A678-I681 PolarHBondContact O-N 2.92Å; A678-F682 HydrophobicContact CB-CD2 4.38Å; A678-F682 HydrophobicContact CB-CE2 4.17Å; A678-F682 VanDerWaalsContact O-CD2 3.28Å; A678-F682 WeakPolarHBondContact O-CD2 3.36Å; A678-F682 PolarHBondContact O-N 3.33Å
679	Q	98.9	Very high	98.6	Very high	30 Å²	30	21.9 Å²	21.9	14%	0.14	12%	0.124	C	C	.	.	H	α-helix	trans	-57	-37.7	-171.5	-170.4	68.9	63.7	0	0	112.7	N676 I681 F682 D683	N676-Q679 WeakPolarHBondContact O-CB 3.47Å; N676-Q679 PolarHBondContact O-N 2.93Å; Q679-I681 VanDerWaalsContact C-N 3.28Å; Q679-I681 PolarHBondContact O-N 3.1Å; Q679-F682 PolarHBondContact O-N 3.11Å; Q679-D683 PolarHBondContact NE2-OD1 3.04Å; Q679-D683 WeakPolarHBondContact O-CB 3.27Å; Q679-D683 VanDerWaalsContact O-CG 3.29Å; Q679-D683 PolarHBondContact O-N 2.94Å
680	I	98.9	Very high	98.5	Very high	42 Å²	42	23.6 Å²	23.6	22%	0.215	13%	0.132	C	C	.	.	H	α-helix	trans	-57.3	-44.4	176	-67	176.8	0	0	0	110.3	H295 A298 A678 F682 D683 T684	H295-I680 HydrophobicContact CB-CG2 3.85Å; A298-I680 HydrophobicContact CB-CG2 3.86Å; A678-I680 VanDerWaalsContact C-N 3.27Å; A678-I680 PolarHBondContact O-N 3.4Å; I680-F682 VanDerWaalsContact C-N 3.34Å; I680-F682 PolarHBondContact O-N 3.5Å; I680-D683 PolarHBondContact O-N 3.35Å; I680-T684 HydrophobicContact CG2-CG2 4.36Å; I680-T684 WeakPolarHBondContact O-CB 3.45Å; I680-T684 PolarHBondContact O-N 2.96Å; I680-T684 PolarHBondContact O-OG1 2.95Å
681	I	98.9	Very high	98.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.4	-41.7	180	-51.9	-57.1	0	0	0	111.4	I347 E647 L650 A678 Q679 F685 I686	I347-I681 HydrophobicContact CD1-CD1 4.36Å; E647-I681 HydrophobicContact CG-CG1 4.32Å; L650-I681 HydrophobicContact CB-CG2 4.41Å; L650-I681 HydrophobicContact CD2-CB 4.12Å; L650-I681 HydrophobicContact CD2-CG2 4.1Å; L650-I681 HydrophobicContact CG-CB 4.28Å; L650-I681 HydrophobicContact CG-CG2 3.84Å; A678-I681 WeakPolarHBondContact O-CB 3.38Å; A678-I681 PolarHBondContact O-N 2.92Å; Q679-I681 VanDerWaalsContact C-N 3.28Å; Q679-I681 PolarHBondContact O-N 3.1Å; I681-F685 HydrophobicContact CD1-CD2 4.03Å; I681-F685 HydrophobicContact CD1-CE2 4.05Å; I681-F685 HydrophobicContact CG2-CB 4.43Å; I681-F685 HydrophobicContact CG2-CD2 4.44Å; I681-F685 WeakPolarHBondContact O-CB 3.49Å; I681-F685 PolarHBondContact O-N 3.27Å; I681-F685 VanDerWaalsContact O-N 3.13Å; I681-I686 HydrophobicContact CG2-CD1 4.14Å; I681-I686 HydrophobicContact CG2-CG1 4.28Å; I681-I686 PolarHBondContact O-N 3Å
682	F	98.9	Very high	98.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.131	C	C	.	.	I	π-helix	trans	-62.5	-47.2	174.3	-72.5	-75.3	0	0	0	112.7	L650 W667 F675 A678 Q679 I680 I686 S687 I701 F722 M725 I768	L650-F682 HydrophobicContact CD2-CD1 4.35Å; L650-F682 HydrophobicContact CD2-CD2 3.76Å; L650-F682 HydrophobicContact CD2-CE1 4.02Å; L650-F682 HydrophobicContact CD2-CE2 3.3Å; L650-F682 HydrophobicContact CD2-CG 4.26Å; L650-F682 HydrophobicContact CD2-CZ 3.46Å; L650-F682 VanDerWaalsContact CD2-CZ 3.46Å; W667-F682 HydrophobicContact CZ3-CZ 4.07Å; F675-F682 HydrophobicContact CB-CE2 3.79Å; F675-F682 HydrophobicContact CB-CZ 4.01Å; F675-F682 AromaticContact CD2-CD2 3.98Å; F675-F682 HydrophobicContact CD2-CD2 3.98Å; F675-F682 AromaticContact CD2-CE2 3.74Å; F675-F682 HydrophobicContact CD2-CE2 3.74Å; F675-F682 HydrophobicContact CD2-CZ 4.24Å; F675-F682 HydrophobicContact CG-CE2 4.27Å; F675-F682 WeakPolarHBondContact O-CE2 3.2Å; A678-F682 HydrophobicContact CB-CD2 4.38Å; A678-F682 HydrophobicContact CB-CE2 4.17Å; A678-F682 VanDerWaalsContact O-CD2 3.28Å; A678-F682 WeakPolarHBondContact O-CD2 3.36Å; A678-F682 PolarHBondContact O-N 3.33Å; Q679-F682 PolarHBondContact O-N 3.11Å; I680-F682 VanDerWaalsContact C-N 3.34Å; I680-F682 PolarHBondContact O-N 3.5Å; F682-I686 HydrophobicContact CD1-CD1 3.85Å; F682-I686 HydrophobicContact CE1-CD1 4.14Å; F682-I686 HydrophobicContact CG-CD1 4.46Å; F682-S687 VanDerWaalsContact O-CB 3.29Å; F682-S687 WeakPolarHBondContact O-CB 3.34Å; F682-S687 PolarHBondContact O-N 2.95Å; F682-S687 PolarHBondContact O-OG 3.29Å; F682-I701 HydrophobicContact CD1-CD1 4.03Å; F682-I701 HydrophobicContact CE1-CD1 3.37Å; F682-I701 HydrophobicContact CE1-CG1 4.4Å; F682-I701 HydrophobicContact CE1-CG2 3.77Å; F682-I701 HydrophobicContact CZ-CD1 4.25Å; F682-I701 HydrophobicContact CZ-CG2 3.83Å; F682-F722 AromaticContact CD1-CE1 3.54Å; F682-F722 HydrophobicContact CD1-CE1 3.54Å; F682-F722 HydrophobicContact CD1-CZ 4.22Å; F682-F722 AromaticContact CE1-CE1 3.53Å; F682-F722 HydrophobicContact CE1-CE1 3.53Å; F682-F722 AromaticContact CE1-CZ 3.87Å; F682-F722 HydrophobicContact CE1-CZ 3.87Å; F682-F722 HydrophobicContact CG-CE1 4.16Å; F682-F722 HydrophobicContact CZ-CE1 4.22Å; F682-F722 HydrophobicContact CZ-CZ 4.11Å; F682-M725 HydrophobicContact CB-CE 4.01Å; F682-I768 HydrophobicContact CE1-CD1 4.48Å
683	D	98.9	Very high	98.4	Very high	72 Å²	72	23.4 Å²	23.4	39%	0.385	14%	0.135	S	C	.	.	I	π-helix	trans	-71.8	-37.9	-172.9	-71.8	-0.7	0	0	0	112.1	Q679 I680 S687 M725	Q679-D683 PolarHBondContact NE2-OD1 3.04Å; Q679-D683 WeakPolarHBondContact O-CB 3.27Å; Q679-D683 VanDerWaalsContact O-CG 3.29Å; Q679-D683 PolarHBondContact O-N 2.94Å; I680-D683 PolarHBondContact O-N 3.35Å; D683-S687 PolarHBondContact O-OG 3.26Å; D683-M725 WeakPolarHBondContact OD1-CE 3.38Å
684	T	98.7	Very high	98.3	Very high	11 Å²	11	23.6 Å²	23.6	7%	0.067	14%	0.136	C	C	.	.	I	π-helix	trans	-108.9	-19.7	-167.3	69.5	0	0	0	0	114.8	P293 I680 K692 W693	P293-T684 HydrophobicContact CB-CG2 3.97Å; P293-T684 HydrophobicContact CG-CG2 4.31Å; P293-T684 WeakPolarHBondContact CG-OG1 3.49Å; I680-T684 HydrophobicContact CG2-CG2 4.36Å; I680-T684 WeakPolarHBondContact O-CB 3.45Å; I680-T684 PolarHBondContact O-N 2.96Å; I680-T684 PolarHBondContact O-OG1 2.95Å; T684-K692 WeakPolarHBondContact O-CE 3.47Å; T684-K692 PolarHBondContact O-NZ 3.4Å; T684-W693 WeakPolarHBondContact O-CH2 3.41Å
685	F	98.8	Very high	98.2	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.009	14%	0.136	C	C	.	.	I	π-helix	trans	-115.7	-58.3	-179.6	-66.4	-85.8	0	0	0	111.6	P293 A298 I299 V302 Y654 I681 G689 W693	P293-F685 HydrophobicContact CG-CE2 3.9Å; P293-F685 HydrophobicContact CG-CZ 3.98Å; A298-F685 HydrophobicContact CB-CE2 4.08Å; I299-F685 HydrophobicContact CD1-CE1 3.79Å; I299-F685 HydrophobicContact CD1-CZ 3.94Å; V302-F685 HydrophobicContact CG2-CD1 4.38Å; V302-F685 HydrophobicContact CG2-CE1 4.05Å; V302-F685 HydrophobicContact CG2-CE2 4.34Å; V302-F685 HydrophobicContact CG2-CZ 4Å; Y654-F685 HydrophobicContact CD1-CB 3.87Å; Y654-F685 AromaticContact CD1-CD1 3.85Å; Y654-F685 HydrophobicContact CD1-CD1 3.85Å; Y654-F685 HydrophobicContact CD1-CG 4.1Å; Y654-F685 HydrophobicContact CD2-CB 4.12Å; Y654-F685 HydrophobicContact CE1-CB 3.74Å; Y654-F685 AromaticContact CE1-CD1 3.47Å; Y654-F685 HydrophobicContact CE1-CD1 3.47Å; Y654-F685 VanDerWaalsContact CE1-CD1 3.47Å; Y654-F685 HydrophobicContact CE1-CE1 4.44Å; Y654-F685 AromaticContact CE1-CG 4Å; Y654-F685 HydrophobicContact CE1-CG 4Å; Y654-F685 HydrophobicContact CE2-CB 3.96Å; Y654-F685 HydrophobicContact CG-CB 4.08Å; I681-F685 HydrophobicContact CD1-CD2 4.03Å; I681-F685 HydrophobicContact CD1-CE2 4.05Å; I681-F685 HydrophobicContact CG2-CB 4.43Å; I681-F685 HydrophobicContact CG2-CD2 4.44Å; I681-F685 WeakPolarHBondContact O-CB 3.49Å; I681-F685 PolarHBondContact O-N 3.27Å; I681-F685 VanDerWaalsContact O-N 3.13Å; F685-G689 VanDerWaalsContact O-CA 3.25Å; F685-G689 WeakPolarHBondContact O-CA 3.46Å; F685-G689 PolarHBondContact O-N 3.03Å; F685-W693 HydrophobicContact CD1-CH2 4.1Å; F685-W693 AromaticContact CD1-CZ3 3.66Å; F685-W693 HydrophobicContact CD1-CZ3 3.66Å; F685-W693 HydrophobicContact CE1-CH2 4.08Å; F685-W693 AromaticContact CE1-CZ3 3.99Å; F685-W693 HydrophobicContact CE1-CZ3 3.99Å; F685-W693 HydrophobicContact CG-CZ3 4.47Å
686	I	98.7	Very high	98.1	Very high	5 Å²	5	23.5 Å²	23.5	3%	0.026	14%	0.138	C	C	.	.	I	π-helix	trans	-69.6	-45.3	-170.7	-59.2	178.8	0	0	0	111.4	L650 Y654 I681 F682 I701 M740 P766	L650-I686 HydrophobicContact CD1-CD1 4Å; L650-I686 HydrophobicContact CD2-CD1 3.87Å; L650-I686 HydrophobicContact CG-CD1 4.01Å; Y654-I686 HydrophobicContact CD2-CG1 4.01Å; I681-I686 HydrophobicContact CG2-CD1 4.14Å; I681-I686 HydrophobicContact CG2-CG1 4.28Å; I681-I686 PolarHBondContact O-N 3Å; F682-I686 HydrophobicContact CD1-CD1 3.85Å; F682-I686 HydrophobicContact CE1-CD1 4.14Å; F682-I686 HydrophobicContact CG-CD1 4.46Å; I686-I701 HydrophobicContact CD1-CD1 3.5Å; I686-I701 HydrophobicContact CG2-CD1 3.88Å; I686-M740 HydrophobicContact CG2-SD 3.94Å; I686-P766 HydrophobicContact CG2-CB 3.72Å; I686-P766 HydrophobicContact CG2-CG 3.92Å
687	S	98.1	Very high	98	Very high	16 Å²	16	20.2 Å²	20.2	11%	0.112	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-21.8	-179	69.4	0	0	0	0	114.1	F682 D683 N739	F682-S687 VanDerWaalsContact O-CB 3.29Å; F682-S687 WeakPolarHBondContact O-CB 3.34Å; F682-S687 PolarHBondContact O-N 2.95Å; F682-S687 PolarHBondContact O-OG 3.29Å; D683-S687 PolarHBondContact O-OG 3.26Å; S687-N739 VanDerWaalsContact O-CB 3.29Å; S687-N739 WeakPolarHBondContact O-CB 3.2Å; S687-N739 PolarHBondContact O-ND2 3.04Å
688	A	97.8	Very high	97.9	Very high	21 Å²	21	18.6 Å²	18.6	17%	0.174	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.2	-6.9	-166.5	0	0	0	0	0	114.9	E690 A691 K692	A688-E690 PolarHBondContact O-N 3.2Å; A688-A691 PolarHBondContact O-N 2.81Å; A688-K692 HydrophobicContact CB-CD 4.27Å; A688-K692 HydrophobicContact CB-CG 4.41Å; A688-K692 WeakPolarHBondContact O-CB 3.13Å; A688-K692 WeakPolarHBondContact O-CG 3.22Å; A688-K692 PolarHBondContact O-N 2.95Å
689	G	98	Very high	97.8	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-64.4	-37.5	-174.3	0	0	0	0	0	113.8	F685 W693 L694 L695	F685-G689 VanDerWaalsContact O-CA 3.25Å; F685-G689 WeakPolarHBondContact O-CA 3.46Å; F685-G689 PolarHBondContact O-N 3.03Å; G689-W693 CarbonylContact O-C 3.24Å; G689-W693 WeakPolarHBondContact O-CA 3.5Å; G689-W693 WeakPolarHBondContact O-CB 3.47Å; G689-W693 PolarHBondContact O-N 3.29Å; G689-L694 PolarHBondContact O-N 3.33Å; G689-L695 PolarHBondContact O-N 3.44Å
690	E	97.7	Very high	97.8	Very high	38 Å²	38	17.1 Å²	17.1	18%	0.178	10%	0.096	C	C	.	.	H	α-helix	trans	-69.7	-44.4	174.4	-171.5	178.1	-170.9	0	0	111.4	A688 L694 L695 K765	A688-E690 PolarHBondContact O-N 3.2Å; E690-L694 WeakPolarHBondContact O-CA 3.48Å; E690-L694 PolarHBondContact O-N 3.39Å; E690-L695 WeakPolarHBondContact CA-O 3.34Å; E690-L695 PolarHBondContact N-O 3.38Å; E690-K765 VanDerWaalsContact CD-NZ 3.34Å; E690-K765 IonicContact OE1-NZ 3.95Å; E690-K765 PolarHBondContact OE1-NZ 3.37Å; E690-K765 VanDerWaalsContact OE2-CE 3.27Å; E690-K765 WeakPolarHBondContact OE2-CE 3.5Å; E690-K765 IonicContact OE2-NZ 2.74Å; E690-K765 PolarHBondContact OE2-NZ 3.2Å
691	A	96.9	Very high	97.8	Very high	31 Å²	31	15.1 Å²	15.1	26%	0.256	9%	0.086	S	C	.	.	H	α-helix	trans	-66.8	-41.7	-179	0	0	0	0	0	112.4	A263 I264 A688	A263-A691 CarbonylContact C-O 3.48Å; A263-A691 VanDerWaalsContact CA-O 3.24Å; A263-A691 WeakPolarHBondContact CA-O 3.43Å; A263-A691 WeakPolarHBondContact CB-O 3.14Å; I264-A691 HydrophobicContact CD1-CB 4.06Å; I264-A691 HydrophobicContact CG1-CB 3.98Å; I264-A691 WeakPolarHBondContact CG1-O 3.26Å; I264-A691 PolarHBondContact N-O 3.45Å; A688-A691 PolarHBondContact O-N 2.81Å
692	K	98	Very high	97.8	Very high	25 Å²	25	15.4 Å²	15.4	11%	0.109	9%	0.088	C	C	.	.	H	α-helix	trans	-81.2	-38.8	-177.6	-67.6	-174	-61.7	173.5	0	113.3	F257 I264 D266 T684 A688	F257-K692 WeakPolarHBondContact CE2-O 3.47Å; I264-K692 HydrophobicContact CD1-CG 4.22Å; I264-K692 HydrophobicContact CG1-CG 4.31Å; D266-K692 HydrophobicContact CB-CB 4.34Å; T684-K692 WeakPolarHBondContact O-CE 3.47Å; T684-K692 PolarHBondContact O-NZ 3.4Å; A688-K692 HydrophobicContact CB-CD 4.27Å; A688-K692 HydrophobicContact CB-CG 4.41Å; A688-K692 WeakPolarHBondContact O-CB 3.13Å; A688-K692 WeakPolarHBondContact O-CG 3.22Å; A688-K692 PolarHBondContact O-N 2.95Å
693	W	97.4	Very high	97.8	Very high	24 Å²	24	15.4 Å²	15.4	9%	0.091	9%	0.088	C	C	.	.	H	α-helix	trans	-131.8	8	-165.3	-47.4	-49.1	0	0	0	113.9	D266 P291 T684 F685 G689 L695	D266-W693 VanDerWaalsContact OD2-CE2 3.29Å; D266-W693 WeakPolarHBondContact OD2-CZ2 3.44Å; D266-W693 PolarHBondContact OD2-NE1 3.48Å; P291-W693 HydrophobicContact CB-CB 4.12Å; P291-W693 HydrophobicContact CB-CD2 3.47Å; P291-W693 VanDerWaalsContact CB-CD2 3.47Å; P291-W693 HydrophobicContact CB-CE3 4.03Å; P291-W693 HydrophobicContact CB-CG 3.51Å; P291-W693 HydrophobicContact CB-CZ2 4.28Å; P291-W693 HydrophobicContact CG-CB 3.91Å; P291-W693 HydrophobicContact CG-CD2 3.68Å; P291-W693 HydrophobicContact CG-CE3 3.8Å; P291-W693 HydrophobicContact CG-CG 3.74Å; T684-W693 WeakPolarHBondContact O-CH2 3.41Å; F685-W693 HydrophobicContact CD1-CH2 4.1Å; F685-W693 AromaticContact CD1-CZ3 3.66Å; F685-W693 HydrophobicContact CD1-CZ3 3.66Å; F685-W693 HydrophobicContact CE1-CH2 4.08Å; F685-W693 AromaticContact CE1-CZ3 3.99Å; F685-W693 HydrophobicContact CE1-CZ3 3.99Å; F685-W693 HydrophobicContact CG-CZ3 4.47Å; G689-W693 CarbonylContact O-C 3.24Å; G689-W693 WeakPolarHBondContact O-CA 3.5Å; G689-W693 WeakPolarHBondContact O-CB 3.47Å; G689-W693 PolarHBondContact O-N 3.29Å; W693-L695 HydrophobicContact CB-CD1 4.31Å; W693-L695 HydrophobicContact CB-CG 4.08Å; W693-L695 HydrophobicContact CE3-CD1 4.3Å; W693-L695 PolarHBondContact O-N 2.85Å; W693-L695 VanDerWaalsContact O-N 3.11Å
694	L	96.6	Very high	97.7	Very high	15 Å²	15	12.1 Å²	12.1	8%	0.079	7%	0.07	C	C	.	.			trans	56.5	24	-177.7	-56.4	171.9	0	0	0	114.4	F257 A263 N510 G689 E690 Q696	F257-L694 HydrophobicContact CD1-CD1 3.57Å; F257-L694 HydrophobicContact CD1-CG 4.41Å; F257-L694 HydrophobicContact CE1-CD1 3.62Å; F257-L694 HydrophobicContact CE1-CG 4.11Å; F257-L694 HydrophobicContact CG-CD1 4.13Å; F257-L694 HydrophobicContact CZ-CD1 4.2Å; F257-L694 HydrophobicContact CZ-CG 4.2Å; A263-L694 HydrophobicContact CB-CD2 3.65Å; A263-L694 HydrophobicContact CB-CG 4Å; N510-L694 HydrophobicContact CB-CB 3.57Å; N510-L694 HydrophobicContact CB-CD1 4Å; N510-L694 HydrophobicContact CB-CG 4.35Å; G689-L694 PolarHBondContact O-N 3.33Å; E690-L694 WeakPolarHBondContact O-CA 3.48Å; E690-L694 PolarHBondContact O-N 3.39Å; L694-Q696 PolarHBondContact O-N 2.98Å
695	L	96.3	Very high	97.6	Very high	42 Å²	42	13.4 Å²	13.4	22%	0.22	8%	0.075	C	C	.	.			trans	-85.3	102.4	177.5	-65.5	-179.1	0	0	0	110.6	P291 I658 G689 E690 W693	P291-L695 HydrophobicContact CG-CD1 3.57Å; I658-L695 HydrophobicContact CD1-CD1 3.99Å; I658-L695 HydrophobicContact CG2-CB 4.27Å; G689-L695 PolarHBondContact O-N 3.44Å; E690-L695 WeakPolarHBondContact CA-O 3.34Å; E690-L695 PolarHBondContact N-O 3.38Å; W693-L695 HydrophobicContact CB-CD1 4.31Å; W693-L695 HydrophobicContact CB-CG 4.08Å; W693-L695 HydrophobicContact CE3-CD1 4.3Å; W693-L695 PolarHBondContact O-N 2.85Å; W693-L695 VanDerWaalsContact O-N 3.11Å
696	Q	96.8	Very high	97.4	Very high	8 Å²	8	14 Å²	14	4%	0.037	8%	0.081	C	C	.	.			trans	-67.7	137.1	169.5	-73	-165.4	2.8	0	0	111.1	L511 W515 V519 L694 R764	L511-Q696 HydrophobicContact CD2-CG 4.5Å; W515-Q696 HydrophobicContact CE3-CB 4.33Å; W515-Q696 HydrophobicContact CH2-CB 4.45Å; W515-Q696 WeakPolarHBondContact CH2-O 3.49Å; W515-Q696 HydrophobicContact CZ3-CB 3.71Å; V519-Q696 PolarHBondContact O-NE2 3.02Å; L694-Q696 PolarHBondContact O-N 2.98Å; Q696-R764 HydrophobicContact CB-CB 4.09Å
697	C	95.9	Very high	97.1	Very high	4 Å²	4	22.2 Å²	22.2	3%	0.027	11%	0.114	C	C	.	.			trans	-130.4	123.5	-175.6	169.7	0	0	0	0	110.1	Y654 S657 I658 M699 R764 K765 P766	Y654-C697 HydrophobicContact CD2-CB 4.46Å; Y654-C697 HydrophobicContact CE2-CB 3.94Å; S657-C697 PolarHBondContact OG-SG 3.39Å; I658-C697 HydrophobicContact CG2-CB 4.39Å; C697-M699 WeakPolarHBondContact SG-CG 3.5Å; C697-R764 CarbonylContact O-C 3.5Å; C697-R764 VanDerWaalsContact O-C 3.32Å; C697-K765 CarbonylContact O-C 3.42Å; C697-K765 WeakPolarHBondContact O-CA 3.48Å; C697-K765 PolarHBondContact O-N 3.21Å; C697-P766 HydrophobicContact CB-CG 4.09Å; C697-P766 WeakPolarHBondContact O-CD 3.43Å
698	G	96.3	Very high	96.8	Very high	3 Å²	3	25.4 Å²	25.4	3%	0.031	13%	0.129	C	C	.	.			trans	-95	10.4	-175.8	0	0	0	0	0	115	Q758	G698-Q758 PolarHBondContact O-NE2 2.65Å
699	M	97.3	Very high	96.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.16	C	C	.	.			trans	-62.3	142.1	-169.8	-71.3	-176.6	76.4	0	0	113.9	L650 E653 Y654 P665 W667 C697 P766 L767	L650-M699 HydrophobicContact CD1-CE 3.72Å; E653-M699 HydrophobicContact CB-CE 3.44Å; E653-M699 VanDerWaalsContact CB-CE 3.44Å; Y654-M699 WeakPolarHBondContact CA-SD 3.31Å; Y654-M699 HydrophobicContact CD2-SD 4.17Å; Y654-M699 PolarHBondContact N-SD 3.19Å; P665-M699 HydrophobicContact CB-CG 4.22Å; P665-M699 HydrophobicContact CG-CB 4.49Å; P665-M699 HydrophobicContact CG-CG 3.81Å; P665-M699 WeakPolarHBondContact O-CA 3.37Å; W667-M699 HydrophobicContact CB-CE 4.18Å; C697-M699 WeakPolarHBondContact SG-CG 3.5Å; M699-P766 CarbonylContact O-C 3.54Å; M699-P766 WeakPolarHBondContact O-CA 3.37Å; M699-L767 PolarHBondContact O-N 3.48Å
700	V	98.9	Very high	96.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	128.6	164.7	-177.3	0	0	0	0	108.5	L664 P665 I666 W667 L755 Q758 L767 V769	L664-V700 HydrophobicContact CD1-CG2 3.8Å; P665-V700 PolarHBondContact O-N 3.47Å; I666-V700 WeakPolarHBondContact CA-O 3.11Å; I666-V700 HydrophobicContact CB-CB 4.43Å; I666-V700 HydrophobicContact CG1-CB 4.09Å; I666-V700 HydrophobicContact CG1-CG2 4.43Å; I666-V700 HydrophobicContact CG2-CB 4.24Å; I666-V700 HydrophobicContact CG2-CG1 4.35Å; W667-V700 PolarHBondContact N-O 3.15Å; V700-L755 HydrophobicContact CG1-CD2 4.38Å; V700-L755 HydrophobicContact CG2-CD2 4.4Å; V700-Q758 HydrophobicContact CG2-CG 3.61Å; V700-L767 WeakPolarHBondContact CA-O 3.45Å; V700-L767 HydrophobicContact CG1-CD2 4.44Å; V700-L767 HydrophobicContact CG2-CB 4.44Å; V700-L767 HydrophobicContact CG2-CD2 4.3Å; V700-V769 HydrophobicContact CG1-CG2 3.76Å
701	I	98.9	Very high	96.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	106.8	179.9	-57.3	176.4	0	0	0	107.2	W667 F682 I686 L703 L767 I768 V769	W667-I701 HydrophobicContact CE3-CG2 3.78Å; W667-I701 HydrophobicContact CZ3-CG2 4Å; W667-I701 WeakPolarHBondContact O-CA 2.94Å; F682-I701 HydrophobicContact CD1-CD1 4.03Å; F682-I701 HydrophobicContact CE1-CD1 3.37Å; F682-I701 HydrophobicContact CE1-CG1 4.4Å; F682-I701 HydrophobicContact CE1-CG2 3.77Å; F682-I701 HydrophobicContact CZ-CD1 4.25Å; F682-I701 HydrophobicContact CZ-CG2 3.83Å; I686-I701 HydrophobicContact CD1-CD1 3.5Å; I686-I701 HydrophobicContact CG2-CD1 3.88Å; I701-L703 HydrophobicContact CG2-CD1 4.2Å; I701-L703 HydrophobicContact CG2-CD2 3.78Å; I701-L703 HydrophobicContact CG2-CG 3.85Å; I701-L767 PolarHBondContact N-O 3.13Å; I701-I768 HydrophobicContact CB-CD1 4.02Å; I701-I768 HydrophobicContact CD1-CD1 3.62Å; I701-I768 HydrophobicContact CG1-CD1 4.23Å; I701-V769 PolarHBondContact O-N 2.81Å
702	L	98.8	Very high	96.2	Very high	6 Å²	6	33.9 Å²	33.9	3%	0.031	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	112.8	-175	-176.2	60.4	0	0	0	109.7	W667 E668 A669 P704 Y751 V769	W667-L702 PolarHBondContact O-N 3.05Å; E668-L702 WeakPolarHBondContact CA-O 3.31Å; E668-L702 HydrophobicContact CB-CB 4.14Å; E668-L702 HydrophobicContact CB-CD2 4.35Å; E668-L702 HydrophobicContact CG-CB 4.17Å; E668-L702 HydrophobicContact CG-CD2 3.93Å; E668-L702 HydrophobicContact CG-CG 4.1Å; E668-L702 WeakPolarHBondContact OE1-CD2 3.29Å; A669-L702 PolarHBondContact N-O 3.05Å; A669-L702 VanDerWaalsContact N-O 3.1Å; L702-P704 WeakPolarHBondContact O-CD 3.26Å; L702-Y751 HydrophobicContact CD1-CE2 4.45Å; L702-V769 HydrophobicContact CD1-CB 3.97Å; L702-V769 HydrophobicContact CD1-CG1 3.75Å
703	L	98.7	Very high	96.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	94.5	-173.3	-58.8	180	0	0	0	110.5	W667 A669 F675 I701 H705 C717 F722 I768 V769 G771	W667-L703 HydrophobicContact CZ3-CD2 3.84Å; A669-L703 HydrophobicContact CB-CD2 3.79Å; F675-L703 HydrophobicContact CB-CD1 4.49Å; F675-L703 HydrophobicContact CB-CD2 3.87Å; I701-L703 HydrophobicContact CG2-CD1 4.2Å; I701-L703 HydrophobicContact CG2-CD2 3.78Å; I701-L703 HydrophobicContact CG2-CG 3.85Å; L703-H705 PolarHBondContact O-N 3.02Å; L703-C717 HydrophobicContact CB-CB 3.58Å; L703-C717 HydrophobicContact CD1-CB 4.06Å; L703-C717 HydrophobicContact CG-CB 4.45Å; L703-F722 HydrophobicContact CD1-CD2 4.24Å; L703-F722 HydrophobicContact CD1-CE1 4.49Å; L703-F722 HydrophobicContact CD1-CE2 3.35Å; L703-F722 HydrophobicContact CD1-CZ 3.49Å; L703-F722 VanDerWaalsContact CD1-CZ 3.49Å; L703-I768 HydrophobicContact CD1-CG2 4.05Å; L703-V769 PolarHBondContact N-O 3.18Å; L703-G771 PolarHBondContact O-N 3.28Å
704	P	98.3	Very high	96.1	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.019	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	122.2	179.7	-26.6	34.4	0	0	0	112.7	F607 A669 G672 L702 G771 K773	F607-P704 HydrophobicContact CE2-CB 3.82Å; F607-P704 HydrophobicContact CE2-CG 3.96Å; F607-P704 HydrophobicContact CZ-CB 3.9Å; F607-P704 HydrophobicContact CZ-CG 4.41Å; A669-P704 VanDerWaalsContact O-CD 3.24Å; A669-P704 WeakPolarHBondContact O-CD 3.49Å; G672-P704 VanDerWaalsContact CA-O 3.32Å; G672-P704 WeakPolarHBondContact CA-O 3.5Å; G672-P704 PolarHBondContact N-O 2.95Å; L702-P704 WeakPolarHBondContact O-CD 3.26Å; P704-G771 CarbonylContact C-O 3.54Å; P704-G771 WeakPolarHBondContact CA-O 3.35Å; P704-K773 HydrophobicContact CB-CD 4.36Å; P704-K773 HydrophobicContact CB-CG 3.84Å
705	H	96.5	Very high	96	Very high	38 Å²	38	39.4 Å²	39.4	18%	0.176	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	147.4	-170	177.5	70.6	0	0	0	111.6	L703 Y707 S715 S716 C717 V770 G771	L703-H705 PolarHBondContact O-N 3.02Å; H705-Y707 AromaticContact CE1-CE2 3.87Å; H705-S715 PolarHBondContact CE1-O 3.05Å; H705-S715 PolarHBondContact ND1-O 3.04Å; H705-S716 WeakPolarHBondContact ND1-CA 3.27Å; H705-C717 HydrophobicContact CB-CB 4.24Å; H705-C717 PolarHBondContact ND1-N 3.23Å; H705-V770 HydrophobicContact CB-CG1 3.48Å; H705-V770 VanDerWaalsContact CB-CG1 3.48Å; H705-V770 WeakPolarHBondContact CD2-CG1 3.46Å; H705-G771 PolarHBondContact N-O 3.23Å
706	G	93.4	Very high	96.1	Very high	13 Å²	13	38.1 Å²	38.1	13%	0.134	23%	0.231	C	C	.	.			trans	157	131.3	173.7	0	0	0	0	0	112.9	D708 S715 K773	G706-D708 PolarHBondContact O-N 2.93Å; G706-S715 CarbonylContact C-O 3.53Å; G706-S715 PolarHBondContact N-O 3.26Å; G706-S715 WeakPolarHBondContact O-CA 3.46Å; G706-K773 VanDerWaalsContact N-CE 3.34Å; G706-K773 WeakPolarHBondContact O-CE 3.26Å; G706-K773 PolarHBondContact O-NZ 3.35Å
707	Y	93.1	Very high	96.1	Very high	179 Å²	179	37.8 Å²	37.8	70%	0.702	23%	0.229	S	C	*	.			trans	-79.6	72.8	174.4	-74.6	-102.2	0	0	0	110.4	H705	H705-Y707 AromaticContact CE1-CE2 3.87Å
708	D	91	Very high	96.2	Very high	82 Å²	82	42.2 Å²	42.2	44%	0.439	25%	0.245	S	C	.	.	S	Bend	trans	-97.5	11.2	-175.1	-54.2	-60.2	0	0	0	112.9	G706 K773 T774	G706-D708 PolarHBondContact O-N 2.93Å; D708-K773 WeakPolarHBondContact OD2-CE 3.12Å; D708-K773 IonicContact OD2-NZ 2.77Å; D708-K773 PolarHBondContact OD2-NZ 3.16Å; D708-T774 PolarHBondContact OD1-OG1 3.4Å; D708-T774 PolarHBondContact OD2-OG1 3.21Å
709	G	91.9	Very high	96.2	Very high	79 Å²	79	44.2 Å²	44.2	81%	0.814	25%	0.254	S	S	*	.	S	Bend	trans	85.4	15.5	179	0	0	0	0	0	115.5
710	A	94.1	Very high	96.2	Very high	57 Å²	57	49.5 Å²	49.5	47%	0.471	28%	0.279	S	S	.	.	S	Bend	trans	-88.9	8.4	-175.2	0	0	0	0	0	115.1	H714	A710-H714 HydrophobicContact CB-CB 3.69Å
711	G	96.1	Very high	96.2	Very high	34 Å²	34	53.2 Å²	53.2	35%	0.351	29%	0.293	S	S	.	.			trans	90.2	179	-178.4	0	0	0	0	0	114.6	E713 H714 S715	G711-E713 PolarHBondContact O-N 3.35Å; G711-H714 PolarHBondContact O-N 2.99Å; G711-S715 WeakPolarHBondContact O-CB 3.45Å; G711-S715 PolarHBondContact O-OG 2.98Å
712	P	95.5	Very high	96.1	Very high	100 Å²	100	53.2 Å²	53.2	65%	0.649	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-25.8	-168.8	16.3	-17.6	0	0	0	115.2	D673	D673-P712 VanDerWaalsContact OD1-O 3.08Å
713	E	96.4	Very high	96	Very high	108 Å²	108	55.3 Å²	55.3	51%	0.505	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	8.2	-179	-59.9	73.3	-157.5	0	0	113.8	D673 F674 G711	D673-E713 VanDerWaalsContact CB-O 3.24Å; D673-E713 WeakPolarHBondContact CB-O 3.41Å; D673-E713 VanDerWaalsContact CG-O 3.26Å; D673-E713 VanDerWaalsContact OD1-C 3.23Å; F674-E713 HydrophobicContact CE1-CB 4.32Å; G711-E713 PolarHBondContact O-N 3.35Å
714	H	97.3	Very high	95.9	Very high	62 Å²	62	63.1 Å²	63.1	29%	0.287	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.3	26.6	-179.3	-62.7	83.3	0	0	0	111.9	F671 D673 F674 A710 G711 K773	F671-H714 HydrophobicContact CD1-CB 4.02Å; F671-H714 AromaticContact CD1-CD2 3.76Å; F671-H714 AromaticContact CD2-CD2 3.62Å; F671-H714 HydrophobicContact CE1-CB 4.14Å; F671-H714 AromaticContact CE1-CD2 3.75Å; F671-H714 AromaticContact CE2-CD2 3.63Å; F671-H714 AromaticContact CG-CD2 3.7Å; F671-H714 AromaticContact CZ-CD2 3.69Å; D673-H714 PolarHBondContact OD1-N 2.92Å; F674-H714 AromaticContact CZ-NE2 3.98Å; A710-H714 HydrophobicContact CB-CB 3.69Å; G711-H714 PolarHBondContact O-N 2.99Å; H714-K773 PolarHBondContact O-NZ 3.28Å
715	S	94.8	Very high	95.9	Very high	9 Å²	9	64.6 Å²	64.6	6%	0.063	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.7	-39.9	-171.9	-68	0	0	0	0	113.5	D673 H705 G706 G711	D673-S715 PolarHBondContact OD1-N 3.48Å; D673-S715 PolarHBondContact OD2-N 3.29Å; D673-S715 VanDerWaalsContact OD2-N 3.14Å; H705-S715 PolarHBondContact CE1-O 3.05Å; H705-S715 PolarHBondContact ND1-O 3.04Å; G706-S715 CarbonylContact C-O 3.53Å; G706-S715 PolarHBondContact N-O 3.26Å; G706-S715 WeakPolarHBondContact O-CA 3.46Å; G711-S715 WeakPolarHBondContact O-CB 3.45Å; G711-S715 PolarHBondContact O-OG 2.98Å
716	S	97.6	Very high	96	Very high	16 Å²	16	63.3 Å²	63.3	11%	0.112	34%	0.343	C	S	.	.			trans	-125.5	119.6	-166.2	-167.3	0	0	0	0	112.6	D673 H705 R718	D673-S716 VanDerWaalsContact CA-O 3.29Å; D673-S716 WeakPolarHBondContact CA-O 3.42Å; D673-S716 PolarHBondContact OD1-N 3.05Å; D673-S716 VanDerWaalsContact OD1-O 3.1Å; D673-S716 PolarHBondContact OD2-N 3.5Å; H705-S716 WeakPolarHBondContact ND1-CA 3.27Å; S716-R718 PolarHBondContact O-N 3.4Å; S716-R718 PolarHBondContact OG-N 3.15Å; S716-R718 VanDerWaalsContact OG-N 3.07Å
717	C	97.6	Very high	96	Very high	0 Å²	0	67 Å²	67	0%	0	36%	0.359	C	S	.	.			trans	-77.9	11.2	165	71.5	0	0	0	0	112.7	G672 F675 L703 H705 M719 F722	G672-C717 WeakPolarHBondContact O-CA 3.4Å; F675-C717 WeakPolarHBondContact CE1-O 3.48Å; L703-C717 HydrophobicContact CB-CB 3.58Å; L703-C717 HydrophobicContact CD1-CB 4.06Å; L703-C717 HydrophobicContact CG-CB 4.45Å; H705-C717 HydrophobicContact CB-CB 4.24Å; H705-C717 PolarHBondContact ND1-N 3.23Å; C717-M719 VanDerWaalsContact C-N 3.28Å; C717-M719 PolarHBondContact O-N 3.24Å; C717-F722 WeakPolarHBondContact O-CE2 3.45Å
718	R	97.9	Very high	95.9	Very high	98 Å²	98	59.5 Å²	59.5	37%	0.37	33%	0.333	S	S	.	.			trans	49	48.3	-177.4	-55.2	-178.8	-174.4	-104.7	1.3	112.7	F675 S716 E720 R721	F675-R718 HydrophobicContact CE1-CB 3.71Å; F675-R718 HydrophobicContact CE1-CG 3.86Å; F675-R718 HydrophobicContact CZ-CB 3.8Å; F675-R718 HydrophobicContact CZ-CG 4.27Å; S716-R718 PolarHBondContact O-N 3.4Å; S716-R718 PolarHBondContact OG-N 3.15Å; S716-R718 VanDerWaalsContact OG-N 3.07Å; R718-E720 VanDerWaalsContact C-CD 3.46Å; R718-E720 VanDerWaalsContact CA-CD 3.5Å; R718-E720 VanDerWaalsContact CA-OE1 3.26Å; R718-E720 WeakPolarHBondContact CA-OE1 3.34Å; R718-E720 WeakPolarHBondContact CA-OE2 3.25Å; R718-E720 VanDerWaalsContact CB-OE1 3.26Å; R718-E720 WeakPolarHBondContact CB-OE1 3.42Å; R718-E720 PolarHBondContact O-N 3.17Å; R718-R721 HydrophobicContact CB-CB 4.39Å; R718-R721 WeakPolarHBondContact O-CB 3.49Å; R718-R721 PolarHBondContact O-N 3.34Å
719	M	96.3	Very high	95.8	Very high	44 Å²	44	62.1 Å²	62.1	22%	0.217	34%	0.341	C	S	.	.	H	α-helix	trans	-50.8	-32.8	-177.7	179.5	-179.8	65.5	0	0	112.6	C717 R721 F722 L723 V742 V770 L849	C717-M719 VanDerWaalsContact C-N 3.28Å; C717-M719 PolarHBondContact O-N 3.24Å; M719-R721 PolarHBondContact O-N 3.26Å; M719-F722 PolarHBondContact O-N 3.44Å; M719-L723 HydrophobicContact CG-CD1 4.06Å; M719-L723 HydrophobicContact CG-CG 4.31Å; M719-L723 VanDerWaalsContact O-CG 3.32Å; M719-L723 WeakPolarHBondContact O-CG 3.2Å; M719-L723 PolarHBondContact O-N 3.2Å; M719-V742 HydrophobicContact CG-CG1 4.28Å; M719-V770 HydrophobicContact CB-CG2 4.27Å; M719-V770 HydrophobicContact CG-CG2 3.9Å; M719-V770 HydrophobicContact SD-CG2 3.62Å; M719-L849 HydrophobicContact CE-CD1 3.96Å; M719-L849 HydrophobicContact CG-CD1 4.09Å; M719-L849 HydrophobicContact SD-CD1 3.11Å; M719-L849 WeakPolarHBondContact SD-CD1 3.3Å
720	E	97.1	Very high	95.6	Very high	112 Å²	112	67.4 Å²	67.4	52%	0.523	34%	0.344	S	S	.	.	H	α-helix	trans	-55.3	-36.5	173.7	69.8	-72	171.5	0	0	113.4	R718 L723 Q724	R718-E720 VanDerWaalsContact C-CD 3.46Å; R718-E720 VanDerWaalsContact CA-CD 3.5Å; R718-E720 VanDerWaalsContact CA-OE1 3.26Å; R718-E720 WeakPolarHBondContact CA-OE1 3.34Å; R718-E720 WeakPolarHBondContact CA-OE2 3.25Å; R718-E720 VanDerWaalsContact CB-OE1 3.26Å; R718-E720 WeakPolarHBondContact CB-OE1 3.42Å; R718-E720 PolarHBondContact O-N 3.17Å; E720-L723 PolarHBondContact O-N 3.04Å; E720-Q724 WeakPolarHBondContact O-CB 3.4Å; E720-Q724 PolarHBondContact O-N 3.04Å
721	R	98.4	Very high	95.1	Very high	78 Å²	78	72.6 Å²	72.6	29%	0.294	36%	0.359	S	S	.	.	H	α-helix	trans	-68.9	-45.5	178.1	-174.3	176	-64.2	177.5	-4.1	111.1	R718 M719 L723 Q724 M725	R718-R721 HydrophobicContact CB-CB 4.39Å; R718-R721 WeakPolarHBondContact O-CB 3.49Å; R718-R721 PolarHBondContact O-N 3.34Å; M719-R721 PolarHBondContact O-N 3.26Å; R721-L723 VanDerWaalsContact C-N 3.3Å; R721-L723 PolarHBondContact O-N 3.33Å; R721-Q724 WeakPolarHBondContact O-CB 3.46Å; R721-Q724 PolarHBondContact O-N 2.98Å; R721-Q724 VanDerWaalsContact O-N 3.17Å; R721-M725 HydrophobicContact CG-SD 4.04Å; R721-M725 VanDerWaalsContact O-CG 3.26Å; R721-M725 WeakPolarHBondContact O-CG 3.42Å; R721-M725 PolarHBondContact O-N 3.49Å
722	F	98.3	Very high	94.1	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-62.8	-38.9	176.2	-68.4	-74	0	0	0	112.3	F675 F682 L703 C717 M719 Q724 M725 C726 V742 I768	F675-F722 HydrophobicContact CB-CZ 4.5Å; F675-F722 HydrophobicContact CD1-CE2 4.4Å; F675-F722 HydrophobicContact CD2-CE1 4.27Å; F675-F722 AromaticContact CD2-CE2 3.82Å; F675-F722 HydrophobicContact CD2-CE2 3.82Å; F675-F722 AromaticContact CD2-CZ 3.32Å; F675-F722 HydrophobicContact CD2-CZ 3.32Å; F675-F722 HydrophobicContact CE1-CE2 4.28Å; F675-F722 HydrophobicContact CE2-CE1 4.37Å; F675-F722 AromaticContact CE2-CE2 3.71Å; F675-F722 HydrophobicContact CE2-CE2 3.71Å; F675-F722 AromaticContact CE2-CZ 3.52Å; F675-F722 HydrophobicContact CE2-CZ 3.52Å; F675-F722 HydrophobicContact CG-CE2 4.14Å; F675-F722 AromaticContact CG-CZ 3.87Å; F675-F722 HydrophobicContact CG-CZ 3.87Å; F675-F722 AromaticContact CZ-CE2 3.93Å; F675-F722 HydrophobicContact CZ-CE2 3.93Å; F675-F722 HydrophobicContact CZ-CZ 4.22Å; F682-F722 AromaticContact CD1-CE1 3.54Å; F682-F722 HydrophobicContact CD1-CE1 3.54Å; F682-F722 HydrophobicContact CD1-CZ 4.22Å; F682-F722 AromaticContact CE1-CE1 3.53Å; F682-F722 HydrophobicContact CE1-CE1 3.53Å; F682-F722 AromaticContact CE1-CZ 3.87Å; F682-F722 HydrophobicContact CE1-CZ 3.87Å; F682-F722 HydrophobicContact CG-CE1 4.16Å; F682-F722 HydrophobicContact CZ-CE1 4.22Å; F682-F722 HydrophobicContact CZ-CZ 4.11Å; L703-F722 HydrophobicContact CD1-CD2 4.24Å; L703-F722 HydrophobicContact CD1-CE1 4.49Å; L703-F722 HydrophobicContact CD1-CE2 3.35Å; L703-F722 HydrophobicContact CD1-CZ 3.49Å; L703-F722 VanDerWaalsContact CD1-CZ 3.49Å; C717-F722 WeakPolarHBondContact O-CE2 3.45Å; M719-F722 PolarHBondContact O-N 3.44Å; F722-Q724 VanDerWaalsContact C-N 3.34Å; F722-M725 PolarHBondContact O-N 3.33Å; F722-C726 PolarHBondContact O-N 2.96Å; F722-C726 PolarHBondContact O-SG 3.43Å; F722-C726 VanDerWaalsContact O-SG 3.39Å; F722-V742 HydrophobicContact CB-CG2 4.27Å; F722-I768 HydrophobicContact CB-CG2 4.26Å; F722-I768 HydrophobicContact CD1-CD1 3.97Å; F722-I768 HydrophobicContact CD1-CG1 3.9Å; F722-I768 HydrophobicContact CD1-CG2 3.97Å; F722-I768 HydrophobicContact CD2-CG2 4.05Å; F722-I768 HydrophobicContact CE1-CD1 4.06Å; F722-I768 HydrophobicContact CE1-CG1 4.45Å; F722-I768 HydrophobicContact CE1-CG2 4.3Å; F722-I768 HydrophobicContact CE2-CG2 4.38Å; F722-I768 HydrophobicContact CG-CG1 4.37Å; F722-I768 HydrophobicContact CG-CG2 3.82Å; F722-I768 HydrophobicContact CZ-CG2 4.48Å
723	L	95.8	Very high	93.6	Very high	49 Å²	49	72.6 Å²	72.6	26%	0.257	36%	0.357	S	S	.	.	H	α-helix	trans	-65.6	-37.1	174.6	-67.9	171.5	0	0	0	112.2	M719 E720 R721 M725 C726 V742 L849 R850	M719-L723 HydrophobicContact CG-CD1 4.06Å; M719-L723 HydrophobicContact CG-CG 4.31Å; M719-L723 VanDerWaalsContact O-CG 3.32Å; M719-L723 WeakPolarHBondContact O-CG 3.2Å; M719-L723 PolarHBondContact O-N 3.2Å; E720-L723 PolarHBondContact O-N 3.04Å; R721-L723 VanDerWaalsContact C-N 3.3Å; R721-L723 PolarHBondContact O-N 3.33Å; L723-M725 VanDerWaalsContact C-N 3.34Å; L723-C726 WeakPolarHBondContact O-CB 3.36Å; L723-C726 PolarHBondContact O-N 3.47Å; L723-V742 HydrophobicContact CD2-CB 3.99Å; L723-V742 HydrophobicContact CD2-CG1 4Å; L723-V742 HydrophobicContact CD2-CG2 4.27Å; L723-V742 HydrophobicContact CG-CG1 4.44Å; L723-L849 HydrophobicContact CD1-CD1 4.49Å; L723-L849 HydrophobicContact CD2-CB 3.8Å; L723-R850 HydrophobicContact CD2-CG 3.61Å
724	Q	97.8	Very high	93.3	Very high	164 Å²	164	68 Å²	68	77%	0.766	34%	0.335	S	S	*	.	H	α-helix	trans	-68	-33.1	175	-179.1	178.4	49.9	0	0	112.4	E720 R721 F722 C726	E720-Q724 WeakPolarHBondContact O-CB 3.4Å; E720-Q724 PolarHBondContact O-N 3.04Å; R721-Q724 WeakPolarHBondContact O-CB 3.46Å; R721-Q724 PolarHBondContact O-N 2.98Å; R721-Q724 VanDerWaalsContact O-N 3.17Å; F722-Q724 VanDerWaalsContact C-N 3.34Å; Q724-C726 PolarHBondContact O-N 3.38Å
725	M	98.1	Very high	93	Very high	34 Å²	34	65 Å²	65	17%	0.167	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-8.9	176.6	-66.9	167.7	66.2	0	0	113.3	F682 D683 R721 F722 L723 N739 M740	F682-M725 HydrophobicContact CB-CE 4.01Å; D683-M725 WeakPolarHBondContact OD1-CE 3.38Å; R721-M725 HydrophobicContact CG-SD 4.04Å; R721-M725 VanDerWaalsContact O-CG 3.26Å; R721-M725 WeakPolarHBondContact O-CG 3.42Å; R721-M725 PolarHBondContact O-N 3.49Å; F722-M725 PolarHBondContact O-N 3.33Å; L723-M725 VanDerWaalsContact C-N 3.34Å; M725-N739 PolarHBondContact O-ND2 3.42Å; M725-M740 HydrophobicContact CB-CE 3.74Å; M725-M740 HydrophobicContact CE-CE 4.4Å
726	C	96.9	Very high	93	Very high	12 Å²	12	65 Å²	65	8%	0.081	32%	0.322	C	S	.	.	S	Bend	trans	-73.4	137.1	171.7	-71.1	0	0	0	0	110.4	F722 L723 Q724 S728 N739 R850	F722-C726 PolarHBondContact O-N 2.96Å; F722-C726 PolarHBondContact O-SG 3.43Å; F722-C726 VanDerWaalsContact O-SG 3.39Å; L723-C726 WeakPolarHBondContact O-CB 3.36Å; L723-C726 PolarHBondContact O-N 3.47Å; Q724-C726 PolarHBondContact O-N 3.38Å; C726-S728 PolarHBondContact O-N 3.16Å; C726-N739 VanDerWaalsContact CA-OD1 3.27Å; C726-N739 WeakPolarHBondContact CA-OD1 3.29Å; C726-R850 HydrophobicContact CB-CG 4.26Å
727	D	95.2	Very high	92.9	Very high	89 Å²	89	67.6 Å²	67.6	48%	0.476	34%	0.336	S	S	.	.			trans	-75.9	28.7	172.4	64.1	-21.9	0	0	0	113.2	V738 N739	D727-V738 WeakPolarHBondContact OD1-CA 3.27Å; D727-N739 PolarHBondContact N-OD1 3.36Å; D727-N739 PolarHBondContact OD1-N 2.82Å; D727-N739 PolarHBondContact OD1-OD1 3.32Å
728	S	91.1	Very high	92.7	Very high	23 Å²	23	67.9 Å²	67.9	16%	0.161	34%	0.338	C	S	.	.			trans	-74.6	139.8	177.8	175.2	0	0	0	0	111.1	C726 D734 R850	C726-S728 PolarHBondContact O-N 3.16Å; S728-D734 WeakPolarHBondContact CA-OD1 3.34Å; S728-D734 VanDerWaalsContact CB-OD1 3.29Å; S728-D734 WeakPolarHBondContact CB-OD1 3.49Å; S728-D734 PolarHBondContact OG-OD1 3.04Å; S728-D734 PolarHBondContact OG-OD2 3.34Å; S728-R850 PolarHBondContact OG-NE 3.47Å; S728-R850 PolarHBondContact OG-NH1 3.12Å; S728-R850 PolarHBondContact OG-NH2 3.17Å
729	K	87.8	Confident	92.7	Very high	137 Å²	137	64.2 Å²	64.2	60%	0.596	33%	0.326	S	S	*	.			trans	-98.5	137.6	179.1	-60.1	-179.7	-176.9	179.9	0	110	E731 G732	K729-E731 PolarHBondContact O-N 3.39Å; K729-G732 PolarHBondContact O-N 3.41Å
730	E	87.1	Confident	92.8	Very high	189 Å²	189	62.1 Å²	62.1	88%	0.883	32%	0.316	S	S	*	.	S	Bend	trans	-63.1	-43.4	179.6	-65.3	-171.5	170.2	0	0	111.7
731	E	84.3	Confident	92.7	Very high	166 Å²	166	57 Å²	57	78%	0.776	29%	0.292	S	S	*	.	S	Bend	trans	-88.2	-5.6	179.2	67.8	-74.8	168.3	0	0	114.4	K729	K729-E731 PolarHBondContact O-N 3.39Å
732	G	74.4	Confident	92.7	Very high	34 Å²	34	53.2 Å²	53.2	35%	0.351	28%	0.278	S	S	.	.	S	Bend	trans	-95.4	167.3	-172.9	0	0	0	0	0	114.6	K729	K729-G732 PolarHBondContact O-N 3.41Å
733	V	85.8	Confident	92.5	Very high	101 Å²	101	53.2 Å²	53.2	61%	0.612	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-96.1	116.8	166.5	-177.5	0	0	0	0	107.2
734	D	90.3	Very high	92.3	Very high	10 Å²	10	51.4 Å²	51.4	5%	0.053	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-70.8	144.1	174.6	-65.4	-25.9	0	0	0	110.2	V525 S728 V738 R850 P851 A852	V525-D734 WeakPolarHBondContact CG2-O 3.39Å; S728-D734 WeakPolarHBondContact CA-OD1 3.34Å; S728-D734 VanDerWaalsContact CB-OD1 3.29Å; S728-D734 WeakPolarHBondContact CB-OD1 3.49Å; S728-D734 PolarHBondContact OG-OD1 3.04Å; S728-D734 PolarHBondContact OG-OD2 3.34Å; D734-V738 HydrophobicContact CB-CG1 3.87Å; D734-R850 VanDerWaalsContact OD2-CD 3.32Å; D734-R850 WeakPolarHBondContact OD2-CD 3.25Å; D734-R850 IonicContact OD2-CZ 3.54Å; D734-R850 IonicContact OD2-NE 3.53Å; D734-R850 IonicContact OD2-NH1 2.68Å; D734-R850 PolarHBondContact OD2-NH1 3.33Å; D734-P851 HydrophobicContact CB-CB 3.29Å; D734-A852 WeakPolarHBondContact OD2-CB 3.46Å; D734-A852 PolarHBondContact OD2-N 3.27Å
735	G	91.3	Very high	91.8	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.01	23%	0.233	C	C	.	.			trans	-123.3	-168.3	175.6	0	0	0	0	0	112.4	A523 T737 V738	A523-G735 VanDerWaalsContact O-CA 3.29Å; A523-G735 WeakPolarHBondContact O-CA 3.13Å; G735-T737 PolarHBondContact O-N 2.9Å; G735-V738 WeakPolarHBondContact O-CG2 3.37Å; G735-V738 PolarHBondContact O-N 2.78Å
736	D	94.3	Very high	91.1	Very high	9 Å²	9	42.4 Å²	42.4	5%	0.048	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-11.2	170.4	-72.8	-30.8	0	0	0	112.8	P521 Q522 R524 T526 V738 F763 K765	P521-D736 HydrophobicContact CB-CB 3.8Å; P521-D736 WeakPolarHBondContact CB-O 3.34Å; Q522-D736 WeakPolarHBondContact O-CB 3.36Å; Q522-D736 PolarHBondContact O-N 3.49Å; Q522-D736 VanDerWaalsContact O-N 3.08Å; R524-D736 PolarHBondContact O-N 3.28Å; T526-D736 VanDerWaalsContact CB-OD2 3.25Å; T526-D736 WeakPolarHBondContact CB-OD2 3.19Å; T526-D736 VanDerWaalsContact CG2-OD2 3.3Å; T526-D736 WeakPolarHBondContact CG2-OD2 3.26Å; T526-D736 PolarHBondContact N-OD2 3.45Å; T526-D736 PolarHBondContact OG1-OD2 2.98Å; D736-V738 VanDerWaalsContact C-N 3.25Å; D736-V738 PolarHBondContact O-N 3.16Å; D736-F763 HydrophobicContact CB-CE1 4.26Å; D736-F763 HydrophobicContact CB-CE2 4.1Å; D736-F763 HydrophobicContact CB-CZ 3.57Å; D736-F763 VanDerWaalsContact CG-CZ 3.45Å; D736-F763 WeakPolarHBondContact OD2-CZ 3.5Å; D736-K765 WeakPolarHBondContact O-CE 3.46Å
737	T	94.9	Very high	90.6	Very high	69 Å²	69	42.7 Å²	42.7	42%	0.423	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-19	175.7	50.9	0	0	0	0	113.8	Q522 G735 N739	Q522-T737 PolarHBondContact O-N 3.39Å; G735-T737 PolarHBondContact O-N 2.9Å; T737-N739 PolarHBondContact O-N 3.21Å
738	V	94.8	Very high	90.3	Very high	7 Å²	7	38.9 Å²	38.9	4%	0.042	21%	0.209	C	C	.	.	S	Bend	trans	-54.6	143	177.2	-62.7	0	0	0	0	110.6	D727 D734 G735 D736 M740 K765 P851	D727-V738 WeakPolarHBondContact OD1-CA 3.27Å; D734-V738 HydrophobicContact CB-CG1 3.87Å; G735-V738 WeakPolarHBondContact O-CG2 3.37Å; G735-V738 PolarHBondContact O-N 2.78Å; D736-V738 VanDerWaalsContact C-N 3.25Å; D736-V738 PolarHBondContact O-N 3.16Å; V738-M740 VanDerWaalsContact C-N 3.29Å; V738-M740 PolarHBondContact O-N 3.36Å; V738-K765 WeakPolarHBondContact O-CD 3.39Å; V738-K765 WeakPolarHBondContact O-CE 3.32Å; V738-K765 PolarHBondContact O-NZ 3.03Å; V738-P851 HydrophobicContact CG1-CB 4.34Å; V738-P851 HydrophobicContact CG2-CB 4.14Å; V738-P851 HydrophobicContact CG2-CG 4.39Å
739	N	97.3	Very high	90.1	Very high	20 Å²	20	37.9 Å²	37.9	11%	0.107	20%	0.201	C	C	.	.	S	Bend	trans	-65.3	-28.3	-173.5	66.9	-20.7	0	0	0	114	S687 M725 C726 D727 T737 K765	S687-N739 VanDerWaalsContact O-CB 3.29Å; S687-N739 WeakPolarHBondContact O-CB 3.2Å; S687-N739 PolarHBondContact O-ND2 3.04Å; M725-N739 PolarHBondContact O-ND2 3.42Å; C726-N739 VanDerWaalsContact CA-OD1 3.27Å; C726-N739 WeakPolarHBondContact CA-OD1 3.29Å; D727-N739 PolarHBondContact N-OD1 3.36Å; D727-N739 PolarHBondContact OD1-N 2.82Å; D727-N739 PolarHBondContact OD1-OD1 3.32Å; T737-N739 PolarHBondContact O-N 3.21Å; N739-K765 VanDerWaalsContact O-CD 3.26Å; N739-K765 WeakPolarHBondContact O-CD 3.45Å
740	M	97.6	Very high	90.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.175	C	C	.	.			trans	-146.4	145	178.3	-60.1	-175.7	-72.8	0	0	111.3	I686 M725 V738 P766 I768	I686-M740 HydrophobicContact CG2-SD 3.94Å; M725-M740 HydrophobicContact CB-CE 3.74Å; M725-M740 HydrophobicContact CE-CE 4.4Å; V738-M740 VanDerWaalsContact C-N 3.29Å; V738-M740 PolarHBondContact O-N 3.36Å; M740-P766 HydrophobicContact CG-CB 4.08Å; M740-P766 HydrophobicContact CG-CG 4.35Å; M740-I768 HydrophobicContact SD-CD1 4.22Å; M740-I768 HydrophobicContact SD-CG1 4.34Å
741	A	96.2	Very high	90.4	Very high	4 Å²	4	22.9 Å²	22.9	3%	0.033	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	130.5	167.9	0	0	0	0	0	110.3	P766 L767 I768 R850	A741-P766 PolarHBondContact N-O 3.48Å; A741-L767 HydrophobicContact CB-CD1 3.75Å; A741-L767 CarbonylContact O-C 3.47Å; A741-L767 WeakPolarHBondContact O-CA 3.48Å; A741-I768 PolarHBondContact O-N 3.11Å; A741-R850 WeakPolarHBondContact CA-O 3.37Å
742	V	96.9	Very high	91	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	120.5	177.9	-174	0	0	0	0	109.5	M719 F722 L723 I768 L849 R850	M719-V742 HydrophobicContact CG-CG1 4.28Å; F722-V742 HydrophobicContact CB-CG2 4.27Å; L723-V742 HydrophobicContact CD2-CB 3.99Å; L723-V742 HydrophobicContact CD2-CG1 4Å; L723-V742 HydrophobicContact CD2-CG2 4.27Å; L723-V742 HydrophobicContact CG-CG1 4.44Å; V742-I768 HydrophobicContact CG1-CB 4.38Å; V742-I768 HydrophobicContact CG2-CB 4.17Å; V742-I768 HydrophobicContact CG2-CG1 4.21Å; V742-L849 HydrophobicContact CG1-CD1 4.37Å; V742-L849 WeakPolarHBondContact O-CB 3.41Å; V742-L849 PolarHBondContact O-N 2.52Å; V742-R850 HydrophobicContact CB-CB 4.37Å; V742-R850 HydrophobicContact CG2-CB 4.46Å; V742-R850 PolarHBondContact N-O 2.84Å; V742-R850 PolarHBondContact O-N 3.01Å
743	V	94.3	Very high	92	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	144.6	-173.2	-63.7	0	0	0	0	112.4	L754 L767 I768 V769 V770 A847 L848	V743-L754 HydrophobicContact CB-CD1 4.2Å; V743-L754 HydrophobicContact CB-CD2 4.45Å; V743-L754 HydrophobicContact CG1-CD2 3.89Å; V743-L754 HydrophobicContact CG2-CD1 3.85Å; V743-L754 HydrophobicContact CG2-CD2 4.35Å; V743-L767 HydrophobicContact CB-CD1 4.46Å; V743-L767 HydrophobicContact CG1-CD1 3.86Å; V743-L767 HydrophobicContact CG2-CD1 3.73Å; V743-L767 HydrophobicContact CG2-CG 4.22Å; V743-I768 WeakPolarHBondContact CG2-O 3.38Å; V743-I768 PolarHBondContact N-O 3.02Å; V743-V769 HydrophobicContact CG2-CB 4.21Å; V743-V769 HydrophobicContact CG2-CG1 4.28Å; V743-V769 HydrophobicContact CG2-CG2 3.83Å; V743-V770 WeakPolarHBondContact O-CB 3.23Å; V743-V770 WeakPolarHBondContact O-CG2 3.42Å; V743-V770 PolarHBondContact O-N 3.42Å; V743-A847 CarbonylContact C-O 3.52Å; V743-A847 VanDerWaalsContact CA-O 3.29Å; V743-A847 WeakPolarHBondContact CA-O 3.47Å; V743-A847 WeakPolarHBondContact CB-O 3.25Å; V743-L848 HydrophobicContact CG1-CD1 3.45Å; V743-L848 VanDerWaalsContact CG1-CD1 3.45Å
744	N	92.3	Very high	92.5	Very high	11 Å²	11	9 Å²	9	6%	0.059	5%	0.053	C	C	.	.			trans	-126.1	70.9	175.3	-167.4	1.2	0	0	0	110.2	V770 A827 A847 L849	N744-V770 HydrophobicContact CB-CB 4.1Å; N744-V770 HydrophobicContact CB-CG2 4.39Å; N744-A827 WeakPolarHBondContact OD1-CB 3.4Å; N744-A847 PolarHBondContact N-O 3.47Å; N744-L849 HydrophobicContact CB-CD1 4.22Å
745	P	87.8	Confident	92.9	Very high	2 Å²	2	8.5 Å²	8.5	1%	0.013	5%	0.05	C	C	.	.			trans	-63.1	150.3	-174.3	27.4	-35.3	0	0	0	111.7	W577 Q750 L754 V769	W577-P745 HydrophobicContact CH2-CB 3.92Å; W577-P745 HydrophobicContact CH2-CG 3.98Å; W577-P745 HydrophobicContact CZ2-CB 4.06Å; W577-P745 HydrophobicContact CZ2-CG 3.77Å; P745-Q750 HydrophobicContact CB-CB 3.99Å; P745-L754 HydrophobicContact CB-CD1 3.91Å; P745-L754 HydrophobicContact CG-CD1 4.14Å; P745-V769 HydrophobicContact CG-CG1 3.9Å
746	T	83.6	Confident	93.2	Very high	6 Å²	6	8.6 Å²	8.6	4%	0.037	5%	0.05	C	C	.	.			trans	-125.9	-2.2	-174.7	68.6	0	0	0	0	114	A827 R845	T746-A827 VanDerWaalsContact CG2-CA 3.44Å; T746-A827 HydrophobicContact CG2-CB 4.15Å; T746-R845 PolarHBondContact OG1-NH1 3.39Å
747	T	85.2	Confident	93.4	Very high	19 Å²	19	9 Å²	9	12%	0.117	5%	0.051	C	C	.	.	S	Bend	trans	-139.9	152.2	179.6	66.3	0	0	0	0	109.9	A749 Q750 Y751	T747-A749 VanDerWaalsContact C-N 3.27Å; T747-A749 PolarHBondContact O-N 2.88Å; T747-Q750 WeakPolarHBondContact O-CB 3.43Å; T747-Q750 PolarHBondContact O-N 2.84Å; T747-Q750 VanDerWaalsContact OG1-CG 3.25Å; T747-Q750 WeakPolarHBondContact OG1-CG 3.2Å; T747-Q750 PolarHBondContact OG1-N 3.13Å; T747-Y751 PolarHBondContact O-N 2.89Å
748	P	88.9	Confident	93.5	Very high	9 Å²	9	5.7 Å²	5.7	6%	0.058	3%	0.031	C	C	.	.	H	α-helix	trans	-60	-35.7	175.4	-25.1	34.6	0	0	0	113.3	D576 W577 A580 Q750 Y751 F752 F786	D576-P748 WeakPolarHBondContact O-CB 3.46Å; W577-P748 HydrophobicContact CE3-CG 4.15Å; A580-P748 HydrophobicContact CB-CB 3.47Å; A580-P748 VanDerWaalsContact CB-CB 3.47Å; A580-P748 VanDerWaalsContact CB-O 3.27Å; A580-P748 WeakPolarHBondContact CB-O 3.4Å; P748-Q750 VanDerWaalsContact C-N 3.34Å; P748-Q750 PolarHBondContact O-N 2.6Å; P748-Y751 PolarHBondContact O-N 2.8Å; P748-Y751 VanDerWaalsContact O-N 3.17Å; P748-F752 PolarHBondContact O-N 3.23Å; P748-F786 HydrophobicContact CB-CE1 4.25Å; P748-F786 HydrophobicContact CB-CZ 3.71Å; P748-F786 HydrophobicContact CG-CZ 4.07Å
749	A	88.4	Confident	93.7	Very high	1 Å²	1	5.6 Å²	5.6	1%	0.008	3%	0.03	C	C	.	.	H	α-helix	trans	-63.4	-39.6	177.6	0	0	0	0	0	111.9	T747 Y751 F752 H753 F786 L790	T747-A749 VanDerWaalsContact C-N 3.27Å; T747-A749 PolarHBondContact O-N 2.88Å; A749-Y751 VanDerWaalsContact C-N 3.29Å; A749-Y751 PolarHBondContact O-N 2.96Å; A749-F752 WeakPolarHBondContact O-CB 3.32Å; A749-F752 PolarHBondContact O-N 3.31Å; A749-H753 PolarHBondContact O-CD2 3.48Å; A749-H753 PolarHBondContact O-N 2.82Å; A749-F786 HydrophobicContact CB-CE1 3.86Å; A749-F786 HydrophobicContact CB-CZ 3.73Å; A749-L790 HydrophobicContact CB-CD2 3.75Å
750	Q	86.3	Confident	93.7	Very high	11 Å²	11	6.7 Å²	6.7	5%	0.051	4%	0.035	C	C	.	.	H	α-helix	trans	-58.3	-44.8	174.1	-79.7	-76.5	50.6	0	0	111.4	P745 T747 P748 H753 L754 F794	P745-Q750 HydrophobicContact CB-CB 3.99Å; T747-Q750 WeakPolarHBondContact O-CB 3.43Å; T747-Q750 PolarHBondContact O-N 2.84Å; T747-Q750 VanDerWaalsContact OG1-CG 3.25Å; T747-Q750 WeakPolarHBondContact OG1-CG 3.2Å; T747-Q750 PolarHBondContact OG1-N 3.13Å; P748-Q750 VanDerWaalsContact C-N 3.34Å; P748-Q750 PolarHBondContact O-N 2.6Å; Q750-H753 PolarHBondContact O-N 2.64Å; Q750-L754 WeakPolarHBondContact O-CB 3.12Å; Q750-L754 WeakPolarHBondContact O-CD1 3.48Å; Q750-L754 WeakPolarHBondContact O-CG 3.25Å; Q750-L754 PolarHBondContact O-N 3.06Å; Q750-F794 HydrophobicContact CG-CE1 4.15Å; Q750-F794 HydrophobicContact CG-CE2 4.28Å; Q750-F794 HydrophobicContact CG-CZ 3.73Å
751	Y	94.5	Very high	93.6	Very high	1 Å²	1	7 Å²	7	0%	0.004	4%	0.037	C	C	.	.	H	α-helix	trans	-64.7	-41	178.7	-172.4	-128.3	0	0	0	112.5	W577 E581 L702 T747 P748 A749 H753 L754 L755 V769	W577-Y751 AromaticContact CD1-CD1 3.45Å; W577-Y751 VanDerWaalsContact CD1-CD1 3.45Å; W577-Y751 AromaticContact CD1-CE1 3.84Å; W577-Y751 AromaticContact CE2-CD1 3.9Å; W577-Y751 AromaticContact CE2-CG 3.78Å; W577-Y751 HydrophobicContact CG-CD1 4.48Å; W577-Y751 HydrophobicContact CZ2-CD2 4.46Å; W577-Y751 HydrophobicContact CZ2-CG 4.03Å; W577-Y751 AromaticContact NE1-CD1 2.99Å; W577-Y751 AromaticContact NE1-CD2 4Å; W577-Y751 AromaticContact NE1-CE1 3.5Å; W577-Y751 AromaticContact NE1-CG 3.27Å; W577-Y751 VanDerWaalsContact NE1-CG 3.27Å; E581-Y751 HydrophobicContact CB-CD1 4.21Å; E581-Y751 HydrophobicContact CB-CE1 3.83Å; E581-Y751 HydrophobicContact CG-CE1 3.79Å; E581-Y751 PolarHBondContact OE1-OH 2.95Å; L702-Y751 HydrophobicContact CD1-CE2 4.45Å; T747-Y751 PolarHBondContact O-N 2.89Å; P748-Y751 PolarHBondContact O-N 2.8Å; P748-Y751 VanDerWaalsContact O-N 3.17Å; A749-Y751 VanDerWaalsContact C-N 3.29Å; A749-Y751 PolarHBondContact O-N 2.96Å; Y751-H753 PolarHBondContact O-N 3.47Å; Y751-L754 PolarHBondContact O-N 2.67Å; Y751-L755 HydrophobicContact CD1-CD1 4.06Å; Y751-L755 HydrophobicContact CD2-CG 4.32Å; Y751-L755 HydrophobicContact CE1-CD1 3.71Å; Y751-L755 HydrophobicContact CE1-CG 4.43Å; Y751-L755 HydrophobicContact CE2-CD1 4.14Å; Y751-L755 HydrophobicContact CE2-CD2 4.03Å; Y751-L755 HydrophobicContact CE2-CG 3.96Å; Y751-L755 HydrophobicContact CG-CD1 4.45Å; Y751-L755 WeakPolarHBondContact O-CG 3.35Å; Y751-L755 PolarHBondContact O-N 2.75Å; Y751-V769 HydrophobicContact CD2-CG1 4.49Å; Y751-V769 HydrophobicContact CE2-CG1 4.33Å
752	F	96	Very high	93.6	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-55.2	-51.2	173.2	169.9	-86.1	0	0	0	112.4	V532 L537 A580 L583 A584 P748 A749 L754 L755 R756 L790	V532-F752 HydrophobicContact CB-CZ 4.26Å; V532-F752 HydrophobicContact CG2-CZ 3.8Å; L537-F752 HydrophobicContact CD1-CZ 4.36Å; L537-F752 HydrophobicContact CD2-CE2 3.78Å; L537-F752 HydrophobicContact CD2-CZ 3.91Å; A580-F752 HydrophobicContact CB-CB 4.26Å; A580-F752 WeakPolarHBondContact O-CD2 3.29Å; L583-F752 HydrophobicContact CB-CD2 3.94Å; L583-F752 HydrophobicContact CB-CE2 3.91Å; A584-F752 HydrophobicContact CB-CB 4.41Å; A584-F752 HydrophobicContact CB-CD2 3.58Å; A584-F752 HydrophobicContact CB-CE2 4.14Å; A584-F752 HydrophobicContact CB-CG 4.17Å; A584-F752 VanDerWaalsContact N-CD2 3.35Å; P748-F752 PolarHBondContact O-N 3.23Å; A749-F752 WeakPolarHBondContact O-CB 3.32Å; A749-F752 PolarHBondContact O-N 3.31Å; F752-L754 PolarHBondContact O-N 3.15Å; F752-L755 PolarHBondContact O-N 3.31Å; F752-R756 VanDerWaalsContact CE1-CD 3.43Å; F752-R756 PolarHBondContact O-N 2.78Å; F752-R756 VanDerWaalsContact O-N 3.16Å; F752-L790 HydrophobicContact CB-CD2 4.04Å; F752-L790 HydrophobicContact CD1-CD2 3.54Å; F752-L790 HydrophobicContact CD2-CD2 4.46Å; F752-L790 HydrophobicContact CE1-CB 4.35Å; F752-L790 HydrophobicContact CE1-CD2 4.05Å; F752-L790 HydrophobicContact CG-CD2 3.78Å
753	H	95.6	Very high	93.7	Very high	4 Å²	4	9.9 Å²	9.9	2%	0.019	5%	0.051	C	C	.	.	H	α-helix	trans	-66.8	-37.8	-179.2	-70.7	-69.5	0	0	0	111.9	T530 A749 Q750 Y751 R756 R757 L789 F794	T530-H753 PolarHBondContact OG1-ND1 3.32Å; A749-H753 PolarHBondContact O-CD2 3.48Å; A749-H753 PolarHBondContact O-N 2.82Å; Q750-H753 PolarHBondContact O-N 2.64Å; Y751-H753 PolarHBondContact O-N 3.47Å; H753-R756 PolarHBondContact O-N 3.29Å; H753-R757 WeakPolarHBondContact O-CB 3.39Å; H753-R757 PolarHBondContact O-N 2.85Å; H753-L789 PolarHBondContact NE2-O 3.45Å; H753-L789 VanDerWaalsContact NE2-O 3.16Å; H753-F794 HydrophobicContact CB-CB 3.99Å; H753-F794 HydrophobicContact CB-CG 4.45Å; H753-F794 VanDerWaalsContact CD2-CB 3.42Å; H753-F794 WeakPolarHBondContact CD2-CB 3.33Å; H753-F794 AromaticContact CD2-CD2 3.57Å; H753-F794 AromaticContact CD2-CG 3.68Å; H753-F794 VanDerWaalsContact CG-CB 3.5Å; H753-F794 AromaticContact NE2-CD2 3.94Å
754	L	96.8	Very high	93.8	Very high	4 Å²	4	10.3 Å²	10.3	2%	0.021	5%	0.053	C	C	.	.	H	α-helix	trans	-61	-45.5	176.6	-76.2	168.3	0	0	0	112.4	V743 P745 Q750 Y751 F752 R757 Q758 L767 I796	V743-L754 HydrophobicContact CB-CD1 4.2Å; V743-L754 HydrophobicContact CB-CD2 4.45Å; V743-L754 HydrophobicContact CG1-CD2 3.89Å; V743-L754 HydrophobicContact CG2-CD1 3.85Å; V743-L754 HydrophobicContact CG2-CD2 4.35Å; P745-L754 HydrophobicContact CB-CD1 3.91Å; P745-L754 HydrophobicContact CG-CD1 4.14Å; Q750-L754 WeakPolarHBondContact O-CB 3.12Å; Q750-L754 WeakPolarHBondContact O-CD1 3.48Å; Q750-L754 WeakPolarHBondContact O-CG 3.25Å; Q750-L754 PolarHBondContact O-N 3.06Å; Y751-L754 PolarHBondContact O-N 2.67Å; F752-L754 PolarHBondContact O-N 3.15Å; L754-R757 PolarHBondContact O-N 2.97Å; L754-Q758 PolarHBondContact O-N 3.15Å; L754-L767 HydrophobicContact CB-CD2 4.22Å; L754-L767 HydrophobicContact CD2-CD1 4.5Å; L754-L767 HydrophobicContact CD2-CD2 4.48Å; L754-I796 HydrophobicContact CD2-CD1 4.06Å
755	L	98.4	Very high	94.1	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-61.7	-47.4	177.1	-71.4	171.8	0	0	0	111.4	E581 A584 F585 L664 I666 V700 Y751 F752 R757 Q758	E581-L755 HydrophobicContact CG-CD1 4.27Å; A584-L755 HydrophobicContact CB-CB 3.95Å; A584-L755 HydrophobicContact CB-CD1 3.77Å; F585-L755 HydrophobicContact CD1-CD1 4.24Å; F585-L755 HydrophobicContact CE1-CD1 3.81Å; F585-L755 HydrophobicContact CE1-CD2 4.31Å; L664-L755 HydrophobicContact CD2-CD2 4.46Å; I666-L755 HydrophobicContact CD1-CD2 3.97Å; V700-L755 HydrophobicContact CG1-CD2 4.38Å; V700-L755 HydrophobicContact CG2-CD2 4.4Å; Y751-L755 HydrophobicContact CD1-CD1 4.06Å; Y751-L755 HydrophobicContact CD2-CG 4.32Å; Y751-L755 HydrophobicContact CE1-CD1 3.71Å; Y751-L755 HydrophobicContact CE1-CG 4.43Å; Y751-L755 HydrophobicContact CE2-CD1 4.14Å; Y751-L755 HydrophobicContact CE2-CD2 4.03Å; Y751-L755 HydrophobicContact CE2-CG 3.96Å; Y751-L755 HydrophobicContact CG-CD1 4.45Å; Y751-L755 WeakPolarHBondContact O-CG 3.35Å; Y751-L755 PolarHBondContact O-N 2.75Å; F752-L755 PolarHBondContact O-N 3.31Å; L755-R757 PolarHBondContact O-N 3.17Å; L755-Q758 WeakPolarHBondContact O-CB 3.24Å; L755-Q758 PolarHBondContact O-N 3.3Å
756	R	98.3	Very high	94.6	Very high	3 Å²	3	10 Å²	10	1%	0.011	5%	0.051	C	C	.	.	H	α-helix	trans	-66.3	-38.2	178.4	-70.4	179.3	58.4	67.9	5.9	112.2	T530 V532 A584 S587 L588 F752 H753 Q758 M759 I760	T530-R756 HydrophobicContact CG2-CB 4.07Å; T530-R756 WeakPolarHBondContact O-CD 3.36Å; T530-R756 PolarHBondContact O-NE 3.08Å; V532-R756 VanDerWaalsContact CG2-NE 3.26Å; V532-R756 VanDerWaalsContact CG2-NH2 3.31Å; A584-R756 HydrophobicContact CB-CG 4.28Å; S587-R756 PolarHBondContact OG-NH1 3.19Å; L588-R756 HydrophobicContact CD1-CG 4.28Å; L588-R756 HydrophobicContact CD2-CG 4.28Å; L588-R756 HydrophobicContact CG-CG 4.08Å; F752-R756 VanDerWaalsContact CE1-CD 3.43Å; F752-R756 PolarHBondContact O-N 2.78Å; F752-R756 VanDerWaalsContact O-N 3.16Å; H753-R756 PolarHBondContact O-N 3.29Å; R756-Q758 PolarHBondContact O-N 3.45Å; R756-Q758 VanDerWaalsContact O-N 3.17Å; R756-M759 PolarHBondContact O-N 3.47Å; R756-I760 HydrophobicContact CB-CG1 4.5Å; R756-I760 WeakPolarHBondContact O-CG1 3.5Å; R756-I760 PolarHBondContact O-N 3.39Å
757	R	97.3	Very high	95.4	Very high	18 Å²	18	9.8 Å²	9.8	7%	0.068	5%	0.049	C	C	.	.	H	α-helix	trans	-56	-33.2	177.3	-172.7	-176.7	67.9	157	-0.1	112.1	T530 H753 L754 L755 M759 R761	T530-R757 HydrophobicContact CG2-CB 4.04Å; H753-R757 WeakPolarHBondContact O-CB 3.39Å; H753-R757 PolarHBondContact O-N 2.85Å; L754-R757 PolarHBondContact O-N 2.97Å; L755-R757 PolarHBondContact O-N 3.17Å; R757-M759 PolarHBondContact O-N 3.3Å; R757-R761 HydrophobicContact CG-CG 4.05Å; R757-R761 WeakPolarHBondContact O-CB 3.34Å; R757-R761 WeakPolarHBondContact O-CG 3.48Å; R757-R761 PolarHBondContact O-N 3.39Å; R757-R761 PolarHBondContact O-NE 3.36Å; R757-R761 VanDerWaalsContact O-NE 3.11Å
758	Q	97.8	Very high	96	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-58.4	-35.9	176.1	-69.4	-61.4	99.6	0	0	113.2	L664 G698 V700 L754 L755 R756 R764 K765 L767	L664-Q758 HydrophobicContact CD1-CB 3.63Å; L664-Q758 HydrophobicContact CD1-CG 4.04Å; G698-Q758 PolarHBondContact O-NE2 2.65Å; V700-Q758 HydrophobicContact CG2-CG 3.61Å; L754-Q758 PolarHBondContact O-N 3.15Å; L755-Q758 WeakPolarHBondContact O-CB 3.24Å; L755-Q758 PolarHBondContact O-N 3.3Å; R756-Q758 PolarHBondContact O-N 3.45Å; R756-Q758 VanDerWaalsContact O-N 3.17Å; Q758-R764 PolarHBondContact O-NH1 2.98Å; Q758-K765 PolarHBondContact NE2-O 3.17Å; Q758-L767 HydrophobicContact CG-CD2 4.07Å
759	M	97.9	Very high	96.4	Very high	4 Å²	4	8.5 Å²	8.5	2%	0.02	4%	0.041	C	C	.	.	H	α-helix	trans	-100.1	-32.9	-172.8	-58.2	-45.4	-62.8	0	0	113.8	L588 F593 P661 L663 L664 R756 R757 R761 R764	L588-M759 HydrophobicContact CD1-CG 4.12Å; L588-M759 HydrophobicContact CD2-CB 3.82Å; L588-M759 HydrophobicContact CD2-CG 4.17Å; F593-M759 HydrophobicContact CD1-CB 4.19Å; F593-M759 HydrophobicContact CD1-CE 3.58Å; F593-M759 HydrophobicContact CD2-CB 4.35Å; F593-M759 HydrophobicContact CE1-CB 4.12Å; F593-M759 HydrophobicContact CE1-CE 3.99Å; F593-M759 HydrophobicContact CE2-CB 4.28Å; F593-M759 HydrophobicContact CG-CB 4.3Å; F593-M759 HydrophobicContact CG-CE 4.34Å; F593-M759 HydrophobicContact CZ-CB 4.16Å; P661-M759 WeakPolarHBondContact O-CE 3.31Å; L663-M759 VanDerWaalsContact C-CE 3.43Å; L663-M759 WeakPolarHBondContact O-CE 3.25Å; L663-M759 VanDerWaalsContact O-SD 3.33Å; L664-M759 HydrophobicContact CB-CG 3.84Å; L664-M759 HydrophobicContact CB-SD 3.68Å; L664-M759 HydrophobicContact CD1-CG 4.16Å; L664-M759 HydrophobicContact CD1-SD 3.94Å; L664-M759 HydrophobicContact CD2-CG 4.43Å; L664-M759 HydrophobicContact CG-CG 4.36Å; L664-M759 HydrophobicContact CG-SD 4.38Å; R756-M759 PolarHBondContact O-N 3.47Å; R757-M759 PolarHBondContact O-N 3.3Å; M759-R761 VanDerWaalsContact C-N 3.34Å; M759-R764 PolarHBondContact O-NH2 2.98Å
760	I	97.6	Very high	96.9	Very high	43 Å²	43	8.6 Å²	8.6	22%	0.221	4%	0.042	C	C	.	.	H	α-helix	trans	-74.2	-27.3	-179.3	-60.4	-56	0	0	0	111.9	W528 T530 F593 R756	W528-I760 HydrophobicContact CE3-CG2 4.13Å; W528-I760 WeakPolarHBondContact CZ3-O 3.32Å; T530-I760 HydrophobicContact CG2-CB 4.38Å; T530-I760 HydrophobicContact CG2-CG1 4.41Å; F593-I760 HydrophobicContact CE2-CD1 4.3Å; R756-I760 HydrophobicContact CB-CG1 4.5Å; R756-I760 WeakPolarHBondContact O-CG1 3.5Å; R756-I760 PolarHBondContact O-N 3.39Å
761	R	95.9	Very high	97.2	Very high	8 Å²	8	8.1 Å²	8.1	3%	0.03	4%	0.04	C	C	.	.	S	Bend	trans	-58.3	147.6	171.8	-76.5	-172	-64.6	169	4.8	111.2	W528 R757 M759 F763 R764	W528-R761 HydrophobicContact CD2-CG 3.91Å; W528-R761 HydrophobicContact CG-CG 3.81Å; W528-R761 HydrophobicContact CZ2-CB 4.47Å; W528-R761 HydrophobicContact CZ2-CG 4.37Å; R757-R761 HydrophobicContact CG-CG 4.05Å; R757-R761 WeakPolarHBondContact O-CB 3.34Å; R757-R761 WeakPolarHBondContact O-CG 3.48Å; R757-R761 PolarHBondContact O-N 3.39Å; R757-R761 PolarHBondContact O-NE 3.36Å; R757-R761 VanDerWaalsContact O-NE 3.11Å; M759-R761 VanDerWaalsContact C-N 3.34Å; R761-F763 HydrophobicContact CB-CD1 4.33Å; R761-F763 HydrophobicContact CB-CE1 4.34Å; R761-F763 HydrophobicContact CG-CE1 4.33Å; R761-F763 HydrophobicContact CG-CZ 4.47Å; R761-F763 VanDerWaalsContact NH1-CE2 3.27Å; R761-F763 PolarHBondContact O-N 2.83Å; R761-R764 PolarHBondContact O-NH1 3.43Å
762	N	96.6	Very high	97.1	Very high	60 Å²	60	8.8 Å²	8.8	32%	0.321	4%	0.044	S	C	.	.	S	Bend	trans	-85.4	19.4	171.5	66.9	-17.1	0	0	0	113.2	L518 V519 W528	L518-N762 CarbonylContact C-O 3.41Å; L518-N762 WeakPolarHBondContact CA-O 2.91Å; L518-N762 WeakPolarHBondContact CB-O 3.41Å; L518-N762 VanDerWaalsContact CD2-C 3.42Å; L518-N762 WeakPolarHBondContact CD2-O 3.29Å; V519-N762 HydrophobicContact CG2-CB 4.39Å; V519-N762 VanDerWaalsContact CG2-ND2 3.28Å; V519-N762 WeakPolarHBondContact CG2-ND2 3.46Å; V519-N762 PolarHBondContact N-O 3.07Å; W528-N762 HydrophobicContact CH2-CB 3.89Å; W528-N762 VanDerWaalsContact CH2-CG 3.49Å; W528-N762 VanDerWaalsContact CH2-OD1 3.25Å; W528-N762 WeakPolarHBondContact CH2-OD1 3.27Å; W528-N762 WeakPolarHBondContact CZ2-OD1 3.46Å
763	F	97.5	Very high	96.9	Very high	3 Å²	3	9.8 Å²	9.8	1%	0.013	5%	0.049	C	C	.	.	S	Bend	trans	-146.6	166.1	169.9	62.7	-88.7	0	0	0	109.2	V519 P521 D736 R761 K765	V519-F763 VanDerWaalsContact O-CB 3.28Å; V519-F763 WeakPolarHBondContact O-CB 3.21Å; P521-F763 HydrophobicContact CB-CD2 4.03Å; P521-F763 HydrophobicContact CB-CE2 4.11Å; P521-F763 HydrophobicContact CB-CG 4.24Å; P521-F763 HydrophobicContact CB-CZ 4.4Å; D736-F763 HydrophobicContact CB-CE1 4.26Å; D736-F763 HydrophobicContact CB-CE2 4.1Å; D736-F763 HydrophobicContact CB-CZ 3.57Å; D736-F763 VanDerWaalsContact CG-CZ 3.45Å; D736-F763 WeakPolarHBondContact OD2-CZ 3.5Å; R761-F763 HydrophobicContact CB-CD1 4.33Å; R761-F763 HydrophobicContact CB-CE1 4.34Å; R761-F763 HydrophobicContact CG-CE1 4.33Å; R761-F763 HydrophobicContact CG-CZ 4.47Å; R761-F763 VanDerWaalsContact NH1-CE2 3.27Å; R761-F763 PolarHBondContact O-N 2.83Å; F763-K765 HydrophobicContact CD2-CB 4.24Å; F763-K765 HydrophobicContact CE2-CB 4.09Å
764	R	98	Very high	96.4	Very high	10 Å²	10	12.5 Å²	12.5	4%	0.038	7%	0.066	C	C	.	.			trans	-116.8	129.9	177.3	-61.6	-68.8	171.9	-90.3	1.9	110.2	W515 L518 P661 Q696 C697 Q758 M759 R761	W515-R764 HydrophobicContact CH2-CB 4.46Å; W515-R764 HydrophobicContact CH2-CG 4.13Å; W515-R764 HydrophobicContact CZ3-CB 4.07Å; W515-R764 HydrophobicContact CZ3-CG 3.75Å; L518-R764 HydrophobicContact CD1-CG 4.03Å; P661-R764 VanDerWaalsContact O-CZ 3.23Å; P661-R764 PolarHBondContact O-NE 2.85Å; P661-R764 PolarHBondContact O-NH2 3.42Å; Q696-R764 HydrophobicContact CB-CB 4.09Å; C697-R764 CarbonylContact O-C 3.5Å; C697-R764 VanDerWaalsContact O-C 3.32Å; Q758-R764 PolarHBondContact O-NH1 2.98Å; M759-R764 PolarHBondContact O-NH2 2.98Å; R761-R764 PolarHBondContact O-NH1 3.43Å
765	K	98.1	Very high	95.9	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.017	7%	0.069	C	C	.	.			trans	-140.8	137.2	-179.3	-169.2	68.4	66.1	156.7	0	110.9	E690 C697 D736 V738 N739 Q758 F763	E690-K765 VanDerWaalsContact CD-NZ 3.34Å; E690-K765 IonicContact OE1-NZ 3.95Å; E690-K765 PolarHBondContact OE1-NZ 3.37Å; E690-K765 VanDerWaalsContact OE2-CE 3.27Å; E690-K765 WeakPolarHBondContact OE2-CE 3.5Å; E690-K765 IonicContact OE2-NZ 2.74Å; E690-K765 PolarHBondContact OE2-NZ 3.2Å; C697-K765 CarbonylContact O-C 3.42Å; C697-K765 WeakPolarHBondContact O-CA 3.48Å; C697-K765 PolarHBondContact O-N 3.21Å; D736-K765 WeakPolarHBondContact O-CE 3.46Å; V738-K765 WeakPolarHBondContact O-CD 3.39Å; V738-K765 WeakPolarHBondContact O-CE 3.32Å; V738-K765 PolarHBondContact O-NZ 3.03Å; N739-K765 VanDerWaalsContact O-CD 3.26Å; N739-K765 WeakPolarHBondContact O-CD 3.45Å; Q758-K765 PolarHBondContact NE2-O 3.17Å; F763-K765 HydrophobicContact CD2-CB 4.24Å; F763-K765 HydrophobicContact CE2-CB 4.09Å
766	P	98.6	Very high	95.4	Very high	3 Å²	3	13.9 Å²	13.9	2%	0.019	7%	0.073	C	C	.	.			trans	-59.1	143.3	176.9	-23.8	33.6	0	0	0	112.1	I686 C697 M699 M740 A741	I686-P766 HydrophobicContact CG2-CB 3.72Å; I686-P766 HydrophobicContact CG2-CG 3.92Å; C697-P766 HydrophobicContact CB-CG 4.09Å; C697-P766 WeakPolarHBondContact O-CD 3.43Å; M699-P766 CarbonylContact O-C 3.54Å; M699-P766 WeakPolarHBondContact O-CA 3.37Å; M740-P766 HydrophobicContact CG-CB 4.08Å; M740-P766 HydrophobicContact CG-CG 4.35Å; A741-P766 PolarHBondContact N-O 3.48Å
767	L	98.6	Very high	94.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	106.3	179.5	-178.2	66.7	0	0	0	110.5	M699 V700 I701 A741 V743 L754 Q758 V769	M699-L767 PolarHBondContact O-N 3.48Å; V700-L767 WeakPolarHBondContact CA-O 3.45Å; V700-L767 HydrophobicContact CG1-CD2 4.44Å; V700-L767 HydrophobicContact CG2-CB 4.44Å; V700-L767 HydrophobicContact CG2-CD2 4.3Å; I701-L767 PolarHBondContact N-O 3.13Å; A741-L767 HydrophobicContact CB-CD1 3.75Å; A741-L767 CarbonylContact O-C 3.47Å; A741-L767 WeakPolarHBondContact O-CA 3.48Å; V743-L767 HydrophobicContact CB-CD1 4.46Å; V743-L767 HydrophobicContact CG1-CD1 3.86Å; V743-L767 HydrophobicContact CG2-CD1 3.73Å; V743-L767 HydrophobicContact CG2-CG 4.22Å; L754-L767 HydrophobicContact CB-CD2 4.22Å; L754-L767 HydrophobicContact CD2-CD1 4.5Å; L754-L767 HydrophobicContact CD2-CD2 4.48Å; Q758-L767 HydrophobicContact CG-CD2 4.07Å; L767-V769 HydrophobicContact CD2-CG2 3.96Å; L767-V769 HydrophobicContact CG-CG2 3.83Å
768	I	98.8	Very high	93.2	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	112.3	172.4	-46.9	-55.1	0	0	0	108.7	F682 I701 L703 F722 M740 A741 V742 V743	F682-I768 HydrophobicContact CE1-CD1 4.48Å; I701-I768 HydrophobicContact CB-CD1 4.02Å; I701-I768 HydrophobicContact CD1-CD1 3.62Å; I701-I768 HydrophobicContact CG1-CD1 4.23Å; L703-I768 HydrophobicContact CD1-CG2 4.05Å; F722-I768 HydrophobicContact CB-CG2 4.26Å; F722-I768 HydrophobicContact CD1-CD1 3.97Å; F722-I768 HydrophobicContact CD1-CG1 3.9Å; F722-I768 HydrophobicContact CD1-CG2 3.97Å; F722-I768 HydrophobicContact CD2-CG2 4.05Å; F722-I768 HydrophobicContact CE1-CD1 4.06Å; F722-I768 HydrophobicContact CE1-CG1 4.45Å; F722-I768 HydrophobicContact CE1-CG2 4.3Å; F722-I768 HydrophobicContact CE2-CG2 4.38Å; F722-I768 HydrophobicContact CG-CG1 4.37Å; F722-I768 HydrophobicContact CG-CG2 3.82Å; F722-I768 HydrophobicContact CZ-CG2 4.48Å; M740-I768 HydrophobicContact SD-CD1 4.22Å; M740-I768 HydrophobicContact SD-CG1 4.34Å; A741-I768 PolarHBondContact O-N 3.11Å; V742-I768 HydrophobicContact CG1-CB 4.38Å; V742-I768 HydrophobicContact CG2-CB 4.17Å; V742-I768 HydrophobicContact CG2-CG1 4.21Å; V743-I768 WeakPolarHBondContact CG2-O 3.38Å; V743-I768 PolarHBondContact N-O 3.02Å
769	V	98.3	Very high	91.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	113.5	179.4	-173.8	0	0	0	0	109.3	V700 I701 L702 L703 V743 P745 Y751 L767 G771	V700-V769 HydrophobicContact CG1-CG2 3.76Å; I701-V769 PolarHBondContact O-N 2.81Å; L702-V769 HydrophobicContact CD1-CB 3.97Å; L702-V769 HydrophobicContact CD1-CG1 3.75Å; L703-V769 PolarHBondContact N-O 3.18Å; V743-V769 HydrophobicContact CG2-CB 4.21Å; V743-V769 HydrophobicContact CG2-CG1 4.28Å; V743-V769 HydrophobicContact CG2-CG2 3.83Å; P745-V769 HydrophobicContact CG-CG1 3.9Å; Y751-V769 HydrophobicContact CD2-CG1 4.49Å; Y751-V769 HydrophobicContact CE2-CG1 4.33Å; L767-V769 HydrophobicContact CD2-CG2 3.96Å; L767-V769 HydrophobicContact CG-CG2 3.83Å; V769-G771 VanDerWaalsContact C-N 3.26Å; V769-G771 PolarHBondContact O-N 2.99Å
770	V	97.2	Very high	88.9	Confident	3 Å²	3	31 Å²	31	2%	0.018	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	90.7	165.2	-176.4	0	0	0	0	107.2	H705 M719 V743 N744	H705-V770 HydrophobicContact CB-CG1 3.48Å; H705-V770 VanDerWaalsContact CB-CG1 3.48Å; H705-V770 WeakPolarHBondContact CD2-CG1 3.46Å; M719-V770 HydrophobicContact CB-CG2 4.27Å; M719-V770 HydrophobicContact CG-CG2 3.9Å; M719-V770 HydrophobicContact SD-CG2 3.62Å; V743-V770 WeakPolarHBondContact O-CB 3.23Å; V743-V770 WeakPolarHBondContact O-CG2 3.42Å; V743-V770 PolarHBondContact O-N 3.42Å; N744-V770 HydrophobicContact CB-CB 4.1Å; N744-V770 HydrophobicContact CB-CG2 4.39Å
771	G	93	Very high	86.2	Confident	2 Å²	2	40.4 Å²	40.4	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	148.9	-168.9	0	0	0	0	0	111.9	L703 P704 H705 V769	L703-G771 PolarHBondContact O-N 3.28Å; P704-G771 CarbonylContact C-O 3.54Å; P704-G771 WeakPolarHBondContact CA-O 3.35Å; H705-G771 PolarHBondContact N-O 3.23Å; V769-G771 VanDerWaalsContact C-N 3.26Å; V769-G771 PolarHBondContact O-N 2.99Å
772	P	92.6	Very high	83.7	Confident	14 Å²	14	42.5 Å²	42.5	9%	0.091	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	148.9	178.5	33.6	-37.8	0	0	0	113	W577 L775 L776	W577-P772 HydrophobicContact CD2-CG 3.59Å; W577-P772 VanDerWaalsContact CE2-CG 3.42Å; W577-P772 HydrophobicContact CE3-CB 4.46Å; W577-P772 HydrophobicContact CE3-CG 3.97Å; W577-P772 HydrophobicContact CG-CG 4.03Å; W577-P772 HydrophobicContact CH2-CB 4.42Å; W577-P772 HydrophobicContact CH2-CG 4.01Å; W577-P772 HydrophobicContact CZ2-CG 3.65Å; W577-P772 HydrophobicContact CZ3-CB 4.4Å; W577-P772 HydrophobicContact CZ3-CG 4.16Å; P772-L775 HydrophobicContact CB-CB 3.69Å; P772-L775 HydrophobicContact CB-CD1 4.44Å; P772-L775 HydrophobicContact CB-CG 4.36Å; P772-L776 HydrophobicContact CB-CG 4.45Å; P772-L776 HydrophobicContact CG-CD2 3.73Å; P772-L776 HydrophobicContact CG-CG 4.17Å
773	K	91.5	Very high	80.8	Confident	21 Å²	21	45.7 Å²	45.7	9%	0.091	24%	0.237	C	C	.	.	S	Bend	trans	-106.6	-70.2	159.6	-60.8	-177.3	-75	154.9	0	110.4	F607 F671 P704 G706 D708 H714 L775 L776	F607-K773 HydrophobicContact CE1-CB 4.28Å; F607-K773 HydrophobicContact CE1-CD 4.15Å; F607-K773 HydrophobicContact CE1-CG 3.98Å; F607-K773 HydrophobicContact CE2-CG 4.21Å; F607-K773 HydrophobicContact CZ-CB 4.29Å; F607-K773 HydrophobicContact CZ-CD 3.94Å; F607-K773 HydrophobicContact CZ-CG 3.59Å; F671-K773 HydrophobicContact CD1-CD 3.9Å; F671-K773 HydrophobicContact CE1-CD 3.74Å; P704-K773 HydrophobicContact CB-CD 4.36Å; P704-K773 HydrophobicContact CB-CG 3.84Å; G706-K773 VanDerWaalsContact N-CE 3.34Å; G706-K773 WeakPolarHBondContact O-CE 3.26Å; G706-K773 PolarHBondContact O-NZ 3.35Å; D708-K773 WeakPolarHBondContact OD2-CE 3.12Å; D708-K773 IonicContact OD2-NZ 2.77Å; D708-K773 PolarHBondContact OD2-NZ 3.16Å; H714-K773 PolarHBondContact O-NZ 3.28Å; K773-L775 VanDerWaalsContact C-N 3.33Å; K773-L775 PolarHBondContact O-N 3.21Å; K773-L776 VanDerWaalsContact O-CB 3.3Å; K773-L776 WeakPolarHBondContact O-CB 3.19Å; K773-L776 WeakPolarHBondContact O-CD1 3.35Å; K773-L776 VanDerWaalsContact O-CG 3.26Å; K773-L776 WeakPolarHBondContact O-CG 3.32Å; K773-L776 PolarHBondContact O-N 3.13Å
774	T	85.6	Confident	78.3	Confident	62 Å²	62	51.7 Å²	51.7	38%	0.38	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-59.7	-40.7	-179.7	-62.2	0	0	0	0	112.4	D708 L776 R777 F778	D708-T774 PolarHBondContact OD1-OG1 3.4Å; D708-T774 PolarHBondContact OD2-OG1 3.21Å; T774-L776 PolarHBondContact O-N 3.06Å; T774-L776 VanDerWaalsContact O-N 3.09Å; T774-R777 PolarHBondContact O-N 3.43Å; T774-F778 HydrophobicContact CG2-CD2 3.62Å; T774-F778 HydrophobicContact CG2-CE2 3.38Å; T774-F778 WeakPolarHBondContact O-CD2 3.43Å
775	L	85.6	Confident	76.1	Confident	17 Å²	17	54 Å²	54	9%	0.089	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-67.6	-11.3	-177.4	-55.3	177.9	0	0	0	114.4	W577 P772 K773 R777 F778 A827 F831	W577-L775 HydrophobicContact CE3-CB 4.42Å; W577-L775 HydrophobicContact CZ3-CB 4.28Å; W577-L775 HydrophobicContact CZ3-CD1 4.39Å; P772-L775 HydrophobicContact CB-CB 3.69Å; P772-L775 HydrophobicContact CB-CD1 4.44Å; P772-L775 HydrophobicContact CB-CG 4.36Å; K773-L775 VanDerWaalsContact C-N 3.33Å; K773-L775 PolarHBondContact O-N 3.21Å; L775-R777 PolarHBondContact O-N 3.36Å; L775-F778 PolarHBondContact O-N 2.79Å; L775-A827 HydrophobicContact CD1-CB 4.23Å; L775-F831 HydrophobicContact CD1-CD2 4.46Å; L775-F831 HydrophobicContact CD1-CE2 4.02Å; L775-F831 HydrophobicContact CD2-CD2 3.57Å; L775-F831 HydrophobicContact CD2-CE2 3.42Å; L775-F831 VanDerWaalsContact CD2-CE2 3.42Å; L775-F831 HydrophobicContact CD2-CG 4.27Å; L775-F831 HydrophobicContact CD2-CZ 4.01Å; L775-F831 HydrophobicContact CG-CE2 4.39Å
776	L	88.3	Confident	74.1	Confident	15 Å²	15	55 Å²	55	8%	0.079	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-59.1	-31.1	177.3	-67.7	174.6	0	0	0	112.6	W577 F607 Q609 P772 K773 T774	W577-L776 HydrophobicContact CB-CD2 3.8Å; W577-L776 HydrophobicContact CG-CD2 3.93Å; F607-L776 HydrophobicContact CB-CD1 3.66Å; F607-L776 HydrophobicContact CD2-CD1 3.43Å; F607-L776 VanDerWaalsContact CD2-CD1 3.43Å; F607-L776 HydrophobicContact CE2-CD1 4.32Å; F607-L776 HydrophobicContact CG-CD1 3.67Å; Q609-L776 HydrophobicContact CB-CD1 4.32Å; Q609-L776 HydrophobicContact CG-CD1 3.99Å; Q609-L776 HydrophobicContact CG-CD2 4.08Å; P772-L776 HydrophobicContact CB-CG 4.45Å; P772-L776 HydrophobicContact CG-CD2 3.73Å; P772-L776 HydrophobicContact CG-CG 4.17Å; K773-L776 VanDerWaalsContact O-CB 3.3Å; K773-L776 WeakPolarHBondContact O-CB 3.19Å; K773-L776 WeakPolarHBondContact O-CD1 3.35Å; K773-L776 VanDerWaalsContact O-CG 3.26Å; K773-L776 WeakPolarHBondContact O-CG 3.32Å; K773-L776 PolarHBondContact O-N 3.13Å; T774-L776 PolarHBondContact O-N 3.06Å; T774-L776 VanDerWaalsContact O-N 3.09Å
777	R	81.3	Confident	72	Confident	193 Å²	193	55.3 Å²	55.3	73%	0.728	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	-4.7	-176.5	-59.2	-179.8	-173.7	162.9	2.7	113.7	F607 T774 L775 S779	F607-R777 PolarHBondContact O-NH2 3.06Å; T774-R777 PolarHBondContact O-N 3.43Å; L775-R777 PolarHBondContact O-N 3.36Å; R777-S779 PolarHBondContact O-N 3.34Å
778	F	68.2	Low	69.9	Low	94 Å²	94	57.1 Å²	57.1	41%	0.412	30%	0.302	S	S	.	.			trans	-84	115.9	178	-91.1	-81.5	0	0	0	111.3	T774 L775	T774-F778 HydrophobicContact CG2-CD2 3.62Å; T774-F778 HydrophobicContact CG2-CE2 3.38Å; T774-F778 WeakPolarHBondContact O-CD2 3.43Å; L775-F778 PolarHBondContact O-N 2.79Å
779	S	53.6	Low	67.9	Low	61 Å²	61	59.7 Å²	59.7	43%	0.427	32%	0.315	S	S	.	.			trans	-81.8	117	170.4	-162.8	0	0	0	0	109.9	R574 R777 R781	R574-S779 WeakPolarHBondContact CB-OG 3.28Å; R777-S779 PolarHBondContact O-N 3.34Å; S779-R781 PolarHBondContact O-N 3.16Å
780	V	51.3	Low	66	Low	37 Å²	37	59.7 Å²	59.7	22%	0.224	32%	0.315	C	S	.	.			trans	-77.2	110	172.4	-172	0	0	0	0	108	G782 F831	V780-G782 PolarHBondContact O-N 2.81Å; V780-G782 VanDerWaalsContact O-N 3.15Å; V780-F831 HydrophobicContact CG2-CE1 3.86Å; V780-F831 HydrophobicContact CG2-CZ 3.61Å
781	R	41.8	Very low	63.6	Low	241 Å²	241	63.1 Å²	63.1	91%	0.909	33%	0.333	S	S	*	.			trans	-66.7	109.3	168.2	-77.4	-176.2	177.1	179	-1.3	108.8	S779	S779-R781 PolarHBondContact O-N 3.16Å
782	G	44.1	Very low	61.1	Low	51 Å²	51	70 Å²	70	53%	0.526	36%	0.363	S	S	.	.			trans	-122.1	147.4	168.1	0	0	0	0	0	110	V780 F784	V780-G782 PolarHBondContact O-N 2.81Å; V780-G782 VanDerWaalsContact O-N 3.15Å; G782-F784 PolarHBondContact O-N 2.81Å; G782-F784 VanDerWaalsContact O-N 3.13Å
783	S	34.8	Very low	58.7	Low	127 Å²	127	72.8 Å²	72.8	89%	0.888	38%	0.383	S	S	*	.	S	Bend	trans	-74.9	10.9	-176.6	-48.5	0	0	0	0	115.1
784	F	44.4	Very low	56.4	Low	129 Å²	129	72.7 Å²	72.7	57%	0.566	38%	0.383	S	S	*	.	S	Bend	trans	-123.9	149.1	-175.2	-64.8	-79.2	0	0	0	111.3	G782 F786	G782-F784 PolarHBondContact O-N 2.81Å; G782-F784 VanDerWaalsContact O-N 3.13Å; F784-F786 PolarHBondContact O-N 3.4Å
785	S	51.9	Low	54.2	Low	60 Å²	60	72.6 Å²	72.6	42%	0.42	38%	0.384	S	S	.	.			trans	-58.5	126.7	170.7	173	0	0	0	0	110	G572 L787 A788	G572-S785 PolarHBondContact O-OG 3.36Å; S785-L787 VanDerWaalsContact C-N 3.34Å; S785-A788 WeakPolarHBondContact O-CB 3.4Å; S785-A788 PolarHBondContact O-N 2.96Å
786	F	55.9	Low	52	Low	24 Å²	24	72.8 Å²	72.8	11%	0.105	39%	0.385	C	S	.	.	H	α-helix	trans	-72	-32.2	-175.1	-160.7	-83.5	0	0	0	111.3	G572 L575 P748 A749 F784 A788 L789 L790	G572-F786 PolarHBondContact O-N 2.81Å; L575-F786 HydrophobicContact CB-CD1 3.66Å; L575-F786 HydrophobicContact CB-CE1 3.77Å; L575-F786 HydrophobicContact CB-CG 4.19Å; L575-F786 HydrophobicContact CB-CZ 4.41Å; L575-F786 HydrophobicContact CD1-CD1 3.58Å; L575-F786 HydrophobicContact CD1-CE1 4.08Å; L575-F786 HydrophobicContact CD1-CG 4.49Å; L575-F786 HydrophobicContact CG-CB 4.32Å; L575-F786 HydrophobicContact CG-CD1 3.66Å; L575-F786 HydrophobicContact CG-CE1 4.23Å; L575-F786 HydrophobicContact CG-CG 4.17Å; P748-F786 HydrophobicContact CB-CE1 4.25Å; P748-F786 HydrophobicContact CB-CZ 3.71Å; P748-F786 HydrophobicContact CG-CZ 4.07Å; A749-F786 HydrophobicContact CB-CE1 3.86Å; A749-F786 HydrophobicContact CB-CZ 3.73Å; F784-F786 PolarHBondContact O-N 3.4Å; F786-A788 VanDerWaalsContact C-N 3.25Å; F786-A788 PolarHBondContact O-N 3.26Å; F786-L789 WeakPolarHBondContact O-CB 3.18Å; F786-L789 PolarHBondContact O-N 2.73Å; F786-L789 VanDerWaalsContact O-N 3.16Å; F786-L790 HydrophobicContact CD1-CD1 4.32Å; F786-L790 HydrophobicContact CE1-CD1 4.48Å
787	L	55.3	Low	49.5	Very low	9 Å²	9	73.8 Å²	73.8	5%	0.047	39%	0.393	C	S	.	.	H	α-helix	trans	-60.4	-35.3	171.2	-80.6	162.3	0	0	0	111.8	A534 L537 Q538 G572 S785 L789 L790 L791	A534-L787 HydrophobicContact CB-CB 4.48Å; A534-L787 HydrophobicContact CB-CD2 4.27Å; L537-L787 HydrophobicContact CB-CD2 4.08Å; L537-L787 HydrophobicContact CD1-CD2 4.29Å; Q538-L787 HydrophobicContact CG-CD1 4.06Å; Q538-L787 HydrophobicContact CG-CD2 4.43Å; G572-L787 VanDerWaalsContact CA-CD1 3.46Å; G572-L787 PolarHBondContact O-N 3.33Å; S785-L787 VanDerWaalsContact C-N 3.34Å; L787-L789 VanDerWaalsContact C-N 3.26Å; L787-L789 PolarHBondContact O-N 3.17Å; L787-L790 PolarHBondContact O-N 3.16Å; L787-L791 WeakPolarHBondContact O-CG 3.48Å; L787-L791 PolarHBondContact O-N 3.04Å
788	A	55	Low	47.2	Very low	38 Å²	38	67.9 Å²	67.9	31%	0.314	38%	0.375	S	S	.	.	H	α-helix	trans	-64.7	-30.1	176.8	0	0	0	0	0	112.7	S785 F786 L790 L791 F792	S785-A788 WeakPolarHBondContact O-CB 3.4Å; S785-A788 PolarHBondContact O-N 2.96Å; F786-A788 VanDerWaalsContact C-N 3.25Å; F786-A788 PolarHBondContact O-N 3.26Å; A788-L790 VanDerWaalsContact C-N 3.26Å; A788-L790 PolarHBondContact O-N 3.08Å; A788-L791 PolarHBondContact O-N 2.82Å; A788-F792 VanDerWaalsContact O-CD2 3.26Å; A788-F792 WeakPolarHBondContact O-CD2 3.44Å
789	L	56.2	Low	45.9	Very low	55 Å²	55	67.4 Å²	67.4	29%	0.288	37%	0.37	S	S	.	.	H	α-helix	trans	-72.3	-19.3	174.8	-70.5	168.6	0	0	0	113.2	H753 F786 L787	H753-L789 PolarHBondContact NE2-O 3.45Å; H753-L789 VanDerWaalsContact NE2-O 3.16Å; F786-L789 WeakPolarHBondContact O-CB 3.18Å; F786-L789 PolarHBondContact O-N 2.73Å; F786-L789 VanDerWaalsContact O-N 3.16Å; L787-L789 VanDerWaalsContact C-N 3.26Å; L787-L789 PolarHBondContact O-N 3.17Å
790	L	58.7	Low	44.9	Very low	0 Å²	0	67.6 Å²	67.6	0%	0	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-4.3	177.9	-55.8	176.6	0	0	0	112.6	G531 V532 L537 L575 L583 A749 F752 F786 L787 A788	G531-L790 VanDerWaalsContact CA-O 3.23Å; G531-L790 WeakPolarHBondContact CA-O 3.5Å; V532-L790 PolarHBondContact N-O 3.11Å; L537-L790 HydrophobicContact CD1-CB 3.63Å; L537-L790 HydrophobicContact CD1-CD1 3.88Å; L537-L790 HydrophobicContact CD1-CG 4.41Å; L575-L790 HydrophobicContact CD1-CD1 4.09Å; L583-L790 HydrophobicContact CD1-CD1 4.05Å; A749-L790 HydrophobicContact CB-CD2 3.75Å; F752-L790 HydrophobicContact CB-CD2 4.04Å; F752-L790 HydrophobicContact CD1-CD2 3.54Å; F752-L790 HydrophobicContact CD2-CD2 4.46Å; F752-L790 HydrophobicContact CE1-CB 4.35Å; F752-L790 HydrophobicContact CE1-CD2 4.05Å; F752-L790 HydrophobicContact CG-CD2 3.78Å; F786-L790 HydrophobicContact CD1-CD1 4.32Å; F786-L790 HydrophobicContact CE1-CD1 4.48Å; L787-L790 PolarHBondContact O-N 3.16Å; A788-L790 VanDerWaalsContact C-N 3.26Å; A788-L790 PolarHBondContact O-N 3.08Å
791	L	45.8	Very low	44	Very low	75 Å²	75	68 Å²	68	39%	0.393	37%	0.372	S	S	.	.	S	Bend	trans	-87.4	-20.4	178.6	-74.2	174.8	0	0	0	113.8	V532 A534 L787 A788	V532-L791 WeakPolarHBondContact O-CD2 3.5Å; A534-L791 HydrophobicContact CB-CD1 4.45Å; A534-L791 HydrophobicContact CB-CD2 3.94Å; A534-L791 HydrophobicContact CB-CG 4.4Å; L787-L791 WeakPolarHBondContact O-CG 3.48Å; L787-L791 PolarHBondContact O-N 3.04Å; A788-L791 PolarHBondContact O-N 2.82Å
792	F	40.9	Very low	43.8	Very low	146 Å²	146	60.6 Å²	60.6	64%	0.64	35%	0.348	S	S	*	.	S	Bend	trans	-116.5	157	-172.2	-64.6	-77.9	0	0	0	112.4	A788 F794	A788-F792 VanDerWaalsContact O-CD2 3.26Å; A788-F792 WeakPolarHBondContact O-CD2 3.44Å; F792-F794 PolarHBondContact O-N 2.97Å; F792-F794 VanDerWaalsContact O-N 3.17Å
793	S	42	Very low	43	Very low	73 Å²	73	69 Å²	69	51%	0.51	36%	0.364	S	S	.	.			trans	-50.9	118.9	168.4	-67.1	0	0	0	0	111	D529 S795	D529-S793 WeakPolarHBondContact CB-OG 3.21Å; S793-S795 PolarHBondContact O-N 3.06Å
794	F	43	Very low	42.6	Very low	20 Å²	20	66 Å²	66	9%	0.088	34%	0.342	C	S	.	.			trans	-87.5	105	173.6	-161.1	-73.2	0	0	0	109.2	Q750 H753 F792 I796 R799	Q750-F794 HydrophobicContact CG-CE1 4.15Å; Q750-F794 HydrophobicContact CG-CE2 4.28Å; Q750-F794 HydrophobicContact CG-CZ 3.73Å; H753-F794 HydrophobicContact CB-CB 3.99Å; H753-F794 HydrophobicContact CB-CG 4.45Å; H753-F794 VanDerWaalsContact CD2-CB 3.42Å; H753-F794 WeakPolarHBondContact CD2-CB 3.33Å; H753-F794 AromaticContact CD2-CD2 3.57Å; H753-F794 AromaticContact CD2-CG 3.68Å; H753-F794 VanDerWaalsContact CG-CB 3.5Å; H753-F794 AromaticContact NE2-CD2 3.94Å; F792-F794 PolarHBondContact O-N 2.97Å; F792-F794 VanDerWaalsContact O-N 3.17Å; F794-I796 HydrophobicContact CD1-CG1 4.3Å; F794-I796 PolarHBondContact O-N 3.34Å; F794-R799 VanDerWaalsContact CE2-NH2 3.27Å
795	S	39.3	Very low	41.8	Very low	60 Å²	60	66 Å²	66	42%	0.42	35%	0.348	S	S	.	.			trans	-72.4	122.6	161.2	-176.4	0	0	0	0	108	S793 S797	S793-S795 PolarHBondContact O-N 3.06Å; S795-S797 PolarHBondContact O-N 3.18Å; S795-S797 WeakPolarHBondContact OG-CB 3.44Å; S795-S797 PolarHBondContact OG-N 2.95Å
796	I	40.7	Very low	40.4	Very low	21 Å²	21	67.6 Å²	67.6	11%	0.108	36%	0.359	C	S	.	.			trans	-68.1	-3.2	179.1	-56.4	166.7	0	0	0	111.5	L754 F794 A847 L848	L754-I796 HydrophobicContact CD2-CD1 4.06Å; F794-I796 HydrophobicContact CD1-CG1 4.3Å; F794-I796 PolarHBondContact O-N 3.34Å; I796-A847 HydrophobicContact CG2-CB 4.41Å; I796-L848 HydrophobicContact CG2-CB 3.55Å; I796-L848 HydrophobicContact CG2-CD2 4.47Å
797	S	35.3	Very low	39	Very low	35 Å²	35	71.5 Å²	71.5	25%	0.245	38%	0.38	C	S	.	.	S	Bend	trans	-49.2	142.6	177.9	-176.3	0	0	0	0	113.5	S795 R799 E853	S795-S797 PolarHBondContact O-N 3.18Å; S795-S797 WeakPolarHBondContact OG-CB 3.44Å; S795-S797 PolarHBondContact OG-N 2.95Å; S797-R799 PolarHBondContact O-N 2.87Å; S797-E853 WeakPolarHBondContact CA-OE2 3.29Å
798	M	32.7	Very low	37.5	Very low	69 Å²	69	77.4 Å²	77.4	34%	0.34	42%	0.419	S	S	.	.			trans	-36.5	105.5	174.2	-72.6	-162.3	-177.6	0	0	111.8	S800 L844	M798-S800 PolarHBondContact O-N 2.73Å; M798-L844 HydrophobicContact SD-CD1 4.2Å
799	R	41	Very low	36.5	Very low	84 Å²	84	79.7 Å²	79.7	32%	0.317	45%	0.446	S	S	.	.			trans	-72.1	99.8	164.6	-75	-165.2	-173.8	-151.9	3.7	108.7	F794 S797	F794-R799 VanDerWaalsContact CE2-NH2 3.27Å; S797-R799 PolarHBondContact O-N 2.87Å
800	S	32.2	Very low	35.1	Very low	66 Å²	66	79.8 Å²	79.8	46%	0.462	45%	0.451	S	S	.	.			trans	-60.2	147.7	156.7	68.4	0	0	0	0	109.8	M798	M798-S800 PolarHBondContact O-N 2.73Å
801	N	33	Very low	33.6	Very low	44 Å²	44	84 Å²	84	24%	0.235	49%	0.494	C	S	.	.			trans	-2.7	117.1	-179.5	-101.2	-26.4	0	0	0	116.6	R803 C804 R837	N801-R803 PolarHBondContact O-N 2.69Å; N801-C804 PolarHBondContact O-N 3.44Å; N801-R837 PolarHBondContact OD1-NH1 3.05Å
802	Q	37.8	Very low	32.5	Very low	87 Å²	87	86 Å²	86	41%	0.407	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	13.3	173.7	-96.9	177.2	-29.1	0	0	115.5
803	R	27	Very low	31.8	Very low	228 Å²	228	88.5 Å²	88.5	86%	0.86	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-5.6	166.9	-80.4	-170.3	-177.8	-177.7	0.7	113.6	N801	N801-R803 PolarHBondContact O-N 2.69Å
804	C	27.6	Very low	31.3	Very low	63 Å²	63	88.5 Å²	88.5	43%	0.426	52%	0.523	S	S	.	.			trans	-128.5	76.5	-169.8	-56.6	0	0	0	0	111.6	N801	N801-C804 PolarHBondContact O-N 3.44Å
805	L	26.8	Very low	30.9	Very low	130 Å²	130	95.9 Å²	95.9	68%	0.681	56%	0.557	S	S	*	*			trans	-138.6	108.3	159.4	-91.8	164.1	0	0	0	107.2
806	S	22.3	Very low	31.1	Very low	93 Å²	93	104 Å²	104	65%	0.65	58%	0.579	S	S	*	*			trans	-78.6	130	170	41.7	0	0	0	0	109.4
807	I	26.2	Very low	31	Very low	106 Å²	106	108.6 Å²	108.6	54%	0.544	61%	0.608	S	S	.	*			trans	-75.1	140	161.8	-59.6	171.3	0	0	0	106.1	G809 S810	I807-G809 PolarHBondContact O-N 2.93Å; I807-S810 PolarHBondContact O-N 3.5Å; I807-S810 PolarHBondContact O-OG 3.41Å
808	P	24.9	Very low	31.5	Very low	133 Å²	133	110 Å²	110	86%	0.864	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58	108.3	170.3	-15.4	28.4	0	0	0	108.3
809	G	32.5	Very low	32.4	Very low	86 Å²	86	110.3 Å²	110.3	89%	0.887	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	118.4	-8.1	-179.8	0	0	0	0	0	117.2	I807	I807-G809 PolarHBondContact O-N 2.93Å
810	S	26.7	Very low	33	Very low	57 Å²	57	109.7 Å²	109.7	40%	0.399	65%	0.654	S	S	.	*			trans	-102.8	103.2	172	66.5	0	0	0	0	110.3	I807 V812	I807-S810 PolarHBondContact O-N 3.5Å; I807-S810 PolarHBondContact O-OG 3.41Å; S810-V812 PolarHBondContact O-N 3.43Å
811	G	27.1	Very low	34.5	Very low	87 Å²	87	112.7 Å²	112.7	90%	0.897	67%	0.665	S	S	*	*			trans	-67.6	67	-179.2	0	0	0	0	0	114.8
812	V	24	Very low	36.1	Very low	117 Å²	117	114.5 Å²	114.5	71%	0.709	68%	0.677	S	S	*	*			trans	-119.8	96.1	167.6	-176.5	0	0	0	0	108.2	S810	S810-V812 PolarHBondContact O-N 3.43Å
813	Q	24.6	Very low	37.5	Very low	199 Å²	199	114.1 Å²	114.1	93%	0.93	68%	0.677	S	S	*	*			trans	-79.6	128.8	163.5	-77.2	-176.6	-17.1	0	0	108.5
814	S	32.3	Very low	39.4	Very low	73 Å²	73	109 Å²	109	51%	0.51	66%	0.663	S	S	.	*			trans	-123.7	136	163.4	89.1	0	0	0	0	110.3
815	E	35.1	Very low	41.1	Very low	175 Å²	175	106.8 Å²	106.8	82%	0.818	65%	0.65	S	S	*	*			trans	-62.2	132.2	-175.5	-73.2	176.4	151.9	0	0	114.3	T817	E815-T817 VanDerWaalsContact C-N 3.3Å
816	R	43.3	Very low	42.7	Very low	230 Å²	230	101.8 Å²	101.8	87%	0.868	63%	0.629	S	S	*	*			trans	-84.2	3.5	169.6	-84.3	-176.5	176.4	-174.3	-0.2	113	G818	R816-G818 PolarHBondContact O-N 3.42Å
817	T	39.3	Very low	44.7	Very low	119 Å²	119	97.9 Å²	97.9	73%	0.73	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	38.7	-159.8	43.8	0	0	0	0	115.3	E815	E815-T817 VanDerWaalsContact C-N 3.3Å
818	G	45.3	Very low	46.1	Very low	63 Å²	63	94.8 Å²	94.8	65%	0.649	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150.6	8.9	-176.4	0	0	0	0	0	118.4	R816 G820	R816-G818 PolarHBondContact O-N 3.42Å; G818-G820 PolarHBondContact O-N 3.25Å
819	T	51.1	Low	47.7	Very low	77 Å²	77	90.1 Å²	90.1	47%	0.472	57%	0.573	S	S	.	*			trans	-92	103.7	-177.1	49.5	0	0	0	0	112.1	A842	T819-A842 HydrophobicContact CG2-CB 3.87Å
820	G	54.6	Low	48.9	Very low	71 Å²	71	86 Å²	86	73%	0.732	53%	0.53	S	S	*	.	S	Bend	trans	-77.9	-21.4	174.9	0	0	0	0	0	115	G818	G818-G820 PolarHBondContact O-N 3.25Å
821	N	64	Low	50.5	Low	129 Å²	129	85.4 Å²	85.4	69%	0.69	52%	0.521	S	S	*	.			trans	-144.1	138.3	-178.8	-75.2	-39.9	0	0	0	111.8	A842	N821-A842 PolarHBondContact O-N 3.46Å
822	V	65	Low	52.2	Low	82 Å²	82	85 Å²	85	50%	0.497	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	118.8	175.3	179.3	0	0	0	0	109.6	L844	V822-L844 HydrophobicContact CG1-CD1 3.48Å; V822-L844 VanDerWaalsContact CG1-CD1 3.48Å; V822-L844 HydrophobicContact CG1-CG 3.78Å
823	L	67.7	Low	54.3	Low	78 Å²	78	82.3 Å²	82.3	41%	0.408	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124.7	176.9	-61.5	174.5	0	0	0	110.1	L833 A842 V843 L844	L823-L833 HydrophobicContact CB-CD1 4.49Å; L823-L833 HydrophobicContact CD1-CD2 4.34Å; L823-A842 PolarHBondContact N-O 2.81Å; L823-V843 HydrophobicContact CB-CG2 4.45Å; L823-V843 CarbonylContact O-C 3.47Å; L823-V843 VanDerWaalsContact O-CA 3.29Å; L823-V843 WeakPolarHBondContact O-CA 3.18Å; L823-L844 PolarHBondContact O-N 3.43Å
824	Q	66.3	Low	56.2	Low	120 Å²	120	75.7 Å²	75.7	56%	0.561	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	131	175.6	-63	-170.9	-3.6	0	0	110.6	L844	Q824-L844 HydrophobicContact CG-CB 4.24Å; Q824-L844 HydrophobicContact CG-CD1 4.49Å
825	A	64.4	Low	57.7	Low	18 Å²	18	81.6 Å²	81.6	15%	0.149	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	151.9	176.2	0	0	0	0	0	113.2	C830 L833 L844 K846	A825-C830 HydrophobicContact CB-CB 4.38Å; A825-L833 HydrophobicContact CB-CD1 3.62Å; A825-L844 PolarHBondContact N-O 2.95Å; A825-L844 VanDerWaalsContact N-O 3.13Å; A825-K846 PolarHBondContact O-N 2.97Å
826	G	59.7	Low	59.2	Low	24 Å²	24	81.9 Å²	81.9	25%	0.247	46%	0.461	C	S	.	.			trans	-92.8	156	167.8	0	0	0	0	0	113	G828 G829 C830	G826-G828 PolarHBondContact O-N 3.29Å; G826-G829 PolarHBondContact O-N 2.75Å; G826-C830 PolarHBondContact O-N 3.05Å
827	A	65.6	Low	59.9	Low	12 Å²	12	75.2 Å²	75.2	10%	0.099	44%	0.435	C	S	.	.	H	α-helix	trans	26.2	-116	173.5	0	0	0	0	0	117.9	N744 T746 L775 G829 C830 F831	N744-A827 WeakPolarHBondContact OD1-CB 3.4Å; T746-A827 VanDerWaalsContact CG2-CA 3.44Å; T746-A827 HydrophobicContact CG2-CB 4.15Å; L775-A827 HydrophobicContact CD1-CB 4.23Å; A827-G829 VanDerWaalsContact C-N 3.25Å; A827-G829 PolarHBondContact O-N 2.88Å; A827-C830 VanDerWaalsContact O-CB 3.3Å; A827-C830 WeakPolarHBondContact O-CB 3.15Å; A827-C830 PolarHBondContact O-N 3.34Å; A827-F831 PolarHBondContact O-N 3.19Å
828	G	54.9	Low	60.6	Low	40 Å²	40	74.5 Å²	74.5	41%	0.412	43%	0.433	S	S	.	.	H	α-helix	trans	-57	-37.3	-171.3	0	0	0	0	0	113.1	G826 C830 F831 C832	G826-G828 PolarHBondContact O-N 3.29Å; G828-C830 VanDerWaalsContact C-N 3.3Å; G828-C830 PolarHBondContact O-N 3.08Å; G828-F831 PolarHBondContact O-N 3.34Å; G828-F831 VanDerWaalsContact O-N 3.15Å; G828-C832 PolarHBondContact O-N 3.24Å; G828-C832 VanDerWaalsContact O-N 3.13Å
829	G	58.1	Low	61	Low	35 Å²	35	81.3 Å²	81.3	36%	0.361	45%	0.448	S	S	.	.	H	α-helix	trans	-59.1	-38.8	174.4	0	0	0	0	0	112.7	G826 A827 F831 C832 L833	G826-G829 PolarHBondContact O-N 2.75Å; A827-G829 VanDerWaalsContact C-N 3.25Å; A827-G829 PolarHBondContact O-N 2.88Å; G829-F831 VanDerWaalsContact C-N 3.34Å; G829-F831 PolarHBondContact O-N 3.39Å; G829-C832 PolarHBondContact O-N 3.35Å; G829-L833 WeakPolarHBondContact O-CB 3.26Å; G829-L833 VanDerWaalsContact O-CG 3.25Å; G829-L833 WeakPolarHBondContact O-CG 3.45Å; G829-L833 PolarHBondContact O-N 3.49Å
830	C	58.7	Low	61	Low	0 Å²	0	80.3 Å²	80.3	0%	0	45%	0.453	C	S	.	.	H	α-helix	trans	-63.8	-37.9	176.9	-174	0	0	0	0	112.5	A825 G826 A827 G828 R834 R845	A825-C830 HydrophobicContact CB-CB 4.38Å; G826-C830 PolarHBondContact O-N 3.05Å; A827-C830 VanDerWaalsContact O-CB 3.3Å; A827-C830 WeakPolarHBondContact O-CB 3.15Å; A827-C830 PolarHBondContact O-N 3.34Å; G828-C830 VanDerWaalsContact C-N 3.3Å; G828-C830 PolarHBondContact O-N 3.08Å; C830-R834 WeakPolarHBondContact O-CB 3.46Å; C830-R834 WeakPolarHBondContact O-CG 3.48Å; C830-R834 PolarHBondContact O-N 3.38Å; C830-R845 HydrophobicContact CB-CG 4.22Å; C830-R845 WeakPolarHBondContact SG-CG 3.49Å; C830-R845 PolarHBondContact SG-NE 3.49Å
831	F	59.5	Low	60.8	Low	44 Å²	44	77.9 Å²	77.9	19%	0.193	43%	0.428	C	S	.	.	H	α-helix	trans	-68.7	-42.6	177.2	-77.8	-87	0	0	0	112	L775 V780 A827 G828 G829 R834 R835	L775-F831 HydrophobicContact CD1-CD2 4.46Å; L775-F831 HydrophobicContact CD1-CE2 4.02Å; L775-F831 HydrophobicContact CD2-CD2 3.57Å; L775-F831 HydrophobicContact CD2-CE2 3.42Å; L775-F831 VanDerWaalsContact CD2-CE2 3.42Å; L775-F831 HydrophobicContact CD2-CG 4.27Å; L775-F831 HydrophobicContact CD2-CZ 4.01Å; L775-F831 HydrophobicContact CG-CE2 4.39Å; V780-F831 HydrophobicContact CG2-CE1 3.86Å; V780-F831 HydrophobicContact CG2-CZ 3.61Å; A827-F831 PolarHBondContact O-N 3.19Å; G828-F831 PolarHBondContact O-N 3.34Å; G828-F831 VanDerWaalsContact O-N 3.15Å; G829-F831 VanDerWaalsContact C-N 3.34Å; G829-F831 PolarHBondContact O-N 3.39Å; F831-R834 PolarHBondContact O-N 3.04Å; F831-R835 PolarHBondContact O-N 3.19Å
832	C	61.9	Low	60.6	Low	79 Å²	79	72.2 Å²	72.2	53%	0.534	40%	0.399	S	S	.	.	H	α-helix	trans	-62.2	-45.9	175.2	-69.2	0	0	0	0	111.8	G828 G829 R834 R835 K836	G828-C832 PolarHBondContact O-N 3.24Å; G828-C832 VanDerWaalsContact O-N 3.13Å; G829-C832 PolarHBondContact O-N 3.35Å; C832-R834 PolarHBondContact O-N 3.17Å; C832-R835 PolarHBondContact O-N 3.34Å; C832-K836 PolarHBondContact O-N 2.95Å
833	L	69.3	Low	60.3	Low	60 Å²	60	68.3 Å²	68.3	31%	0.314	38%	0.375	S	S	.	.	H	α-helix	trans	-64.5	-38.5	177.8	-70.4	174	0	0	0	112.3	L823 A825 G829 R835 K836 R837 V843	L823-L833 HydrophobicContact CB-CD1 4.49Å; L823-L833 HydrophobicContact CD1-CD2 4.34Å; A825-L833 HydrophobicContact CB-CD1 3.62Å; G829-L833 WeakPolarHBondContact O-CB 3.26Å; G829-L833 VanDerWaalsContact O-CG 3.25Å; G829-L833 WeakPolarHBondContact O-CG 3.45Å; G829-L833 PolarHBondContact O-N 3.49Å; L833-R835 VanDerWaalsContact C-N 3.28Å; L833-R835 PolarHBondContact O-N 3.38Å; L833-K836 PolarHBondContact O-N 3.44Å; L833-R837 WeakPolarHBondContact O-CB 3.45Å; L833-R837 PolarHBondContact O-N 3.17Å; L833-V843 HydrophobicContact CB-CG1 4.43Å; L833-V843 HydrophobicContact CB-CG2 4.3Å
834	R	65.4	Low	60	Low	61 Å²	61	66.2 Å²	66.2	23%	0.23	36%	0.364	C	S	.	.	H	α-helix	trans	-63	-32.1	174.3	-81.2	-176	179.2	-161.8	1.8	113.3	C830 F831 C832	C830-R834 WeakPolarHBondContact O-CB 3.46Å; C830-R834 WeakPolarHBondContact O-CG 3.48Å; C830-R834 PolarHBondContact O-N 3.38Å; F831-R834 PolarHBondContact O-N 3.04Å; C832-R834 PolarHBondContact O-N 3.17Å
835	R	62.7	Low	59.9	Low	197 Å²	197	61.2 Å²	61.2	74%	0.743	34%	0.34	S	S	*	.	H	α-helix	trans	-76.8	-31.7	175.6	-74.3	-176.3	176.5	-178.9	-0.5	113	F831 C832 L833	F831-R835 PolarHBondContact O-N 3.19Å; C832-R835 PolarHBondContact O-N 3.34Å; L833-R835 VanDerWaalsContact C-N 3.28Å; L833-R835 PolarHBondContact O-N 3.38Å
836	K	65.6	Low	59.9	Low	180 Å²	180	63.5 Å²	63.5	78%	0.783	35%	0.347	S	S	*	.	H	α-helix	trans	-99.8	-4.6	-174.4	-68.7	-170.9	175.9	-173.7	0	114.8	C832 L833	C832-K836 PolarHBondContact O-N 2.95Å; L833-K836 PolarHBondContact O-N 3.44Å
837	R	60	Low	60.1	Low	90 Å²	90	62.8 Å²	62.8	34%	0.34	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-68.1	137.9	-175.6	68.1	178.7	-179	176	-0.7	112.1	N801 L833 G841	N801-R837 PolarHBondContact OD1-NH1 3.05Å; L833-R837 WeakPolarHBondContact O-CB 3.45Å; L833-R837 PolarHBondContact O-N 3.17Å; R837-G841 PolarHBondContact NH1-O 2.98Å
838	P	53.7	Low	60.2	Low	104 Å²	104	62.3 Å²	62.3	68%	0.675	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-68.8	160.6	166.6	22	-22.4	0	0	0	111.5	G840 G841	P838-G840 PolarHBondContact O-N 2.76Å; P838-G841 PolarHBondContact O-N 3.06Å
839	E	52.8	Low	61	Low	206 Å²	206	61.7 Å²	61.7	96%	0.963	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	129.2	174.2	-69.4	-168.9	153.1	0	0	110.2
840	G	50.9	Low	61.8	Low	57 Å²	57	62.8 Å²	62.8	59%	0.588	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	100	-8.3	-176.7	0	0	0	0	0	116.8	P838	P838-G840 PolarHBondContact O-N 2.76Å
841	G	51.6	Low	62.5	Low	19 Å²	19	63 Å²	63	20%	0.196	32%	0.316	C	S	.	.			trans	-83.7	131	-179.7	0	0	0	0	0	115.8	R837 P838	R837-G841 PolarHBondContact NH1-O 2.98Å; P838-G841 PolarHBondContact O-N 3.06Å
842	A	59.1	Low	62.6	Low	10 Å²	10	62 Å²	62	8%	0.083	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	135	172.9	0	0	0	0	0	111.9	T819 N821 L823	T819-A842 HydrophobicContact CG2-CB 3.87Å; N821-A842 PolarHBondContact O-N 3.46Å; L823-A842 PolarHBondContact N-O 2.81Å
843	V	58	Low	62.4	Low	1 Å²	1	61.1 Å²	61.1	1%	0.006	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	114.1	174.2	-177	0	0	0	0	109.1	L823 L833	L823-V843 HydrophobicContact CB-CG2 4.45Å; L823-V843 CarbonylContact O-C 3.47Å; L823-V843 VanDerWaalsContact O-CA 3.29Å; L823-V843 WeakPolarHBondContact O-CA 3.18Å; L833-V843 HydrophobicContact CB-CG1 4.43Å; L833-V843 HydrophobicContact CB-CG2 4.3Å
844	L	61.9	Low	61.6	Low	34 Å²	34	61.4 Å²	61.4	18%	0.178	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	137.6	175.2	-64.5	179.7	0	0	0	110.5	M798 V822 L823 Q824 A825	M798-L844 HydrophobicContact SD-CD1 4.2Å; V822-L844 HydrophobicContact CG1-CD1 3.48Å; V822-L844 VanDerWaalsContact CG1-CD1 3.48Å; V822-L844 HydrophobicContact CG1-CG 3.78Å; L823-L844 PolarHBondContact O-N 3.43Å; Q824-L844 HydrophobicContact CG-CB 4.24Å; Q824-L844 HydrophobicContact CG-CD1 4.49Å; A825-L844 PolarHBondContact N-O 2.95Å; A825-L844 VanDerWaalsContact N-O 3.13Å
845	R	64.5	Low	60.5	Low	14 Å²	14	66.1 Å²	66.1	5%	0.053	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	124.9	176.2	-72.4	178.9	179.1	-166.7	1.5	109.8	T746 C830	T746-R845 PolarHBondContact OG1-NH1 3.39Å; C830-R845 HydrophobicContact CB-CG 4.22Å; C830-R845 WeakPolarHBondContact SG-CG 3.49Å; C830-R845 PolarHBondContact SG-NE 3.49Å
846	K	65	Low	59	Low	67 Å²	67	67.2 Å²	67.2	29%	0.291	34%	0.344	S	S	.	.			trans	-104	101.7	169.5	-160	173.9	-177	178.3	0	108.8	A825 L848 L849	A825-K846 PolarHBondContact O-N 2.97Å; K846-L848 WeakPolarHBondContact CG-O 3.28Å; K846-L849 HydrophobicContact CB-CD2 4.36Å; K846-L849 HydrophobicContact CD-CD2 4.06Å; K846-L849 HydrophobicContact CG-CD2 4.03Å
847	A	63.7	Low	57.2	Low	8 Å²	8	66 Å²	66	7%	0.066	35%	0.345	C	S	.	.			trans	-94.7	-32.3	-176.3	0	0	0	0	0	112.7	V743 N744 I796	V743-A847 CarbonylContact C-O 3.52Å; V743-A847 VanDerWaalsContact CA-O 3.29Å; V743-A847 WeakPolarHBondContact CA-O 3.47Å; V743-A847 WeakPolarHBondContact CB-O 3.25Å; N744-A847 PolarHBondContact N-O 3.47Å; I796-A847 HydrophobicContact CG2-CB 4.41Å
848	L	67	Low	55.6	Low	3 Å²	3	67.7 Å²	67.7	2%	0.016	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	122.2	166	-173.4	65.1	0	0	0	108.5	V743 I796 K846 R850 P851 E853	V743-L848 HydrophobicContact CG1-CD1 3.45Å; V743-L848 VanDerWaalsContact CG1-CD1 3.45Å; I796-L848 HydrophobicContact CG2-CB 3.55Å; I796-L848 HydrophobicContact CG2-CD2 4.47Å; K846-L848 WeakPolarHBondContact CG-O 3.28Å; L848-R850 WeakPolarHBondContact CD1-O 3.36Å; L848-P851 HydrophobicContact CD2-CG 4.17Å; L848-E853 HydrophobicContact CD2-CG 4.34Å
849	L	71.2	Confident	54.4	Low	26 Å²	26	66.8 Å²	66.8	14%	0.136	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-42	177.6	-59.2	174.3	0	0	0	110.2	M719 L723 V742 N744 K846	M719-L849 HydrophobicContact CE-CD1 3.96Å; M719-L849 HydrophobicContact CG-CD1 4.09Å; M719-L849 HydrophobicContact SD-CD1 3.11Å; M719-L849 WeakPolarHBondContact SD-CD1 3.3Å; L723-L849 HydrophobicContact CD1-CD1 4.49Å; L723-L849 HydrophobicContact CD2-CB 3.8Å; V742-L849 HydrophobicContact CG1-CD1 4.37Å; V742-L849 WeakPolarHBondContact O-CB 3.41Å; V742-L849 PolarHBondContact O-N 2.52Å; N744-L849 HydrophobicContact CB-CD1 4.22Å; K846-L849 HydrophobicContact CB-CD2 4.36Å; K846-L849 HydrophobicContact CD-CD2 4.06Å; K846-L849 HydrophobicContact CG-CD2 4.03Å
850	R	75.4	Confident	53.3	Low	59 Å²	59	62.3 Å²	62.3	22%	0.223	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	135.8	172	-66.8	-62.7	-176.7	-166.5	2.5	111	L723 C726 S728 D734 A741 V742 L848	L723-R850 HydrophobicContact CD2-CG 3.61Å; C726-R850 HydrophobicContact CB-CG 4.26Å; S728-R850 PolarHBondContact OG-NE 3.47Å; S728-R850 PolarHBondContact OG-NH1 3.12Å; S728-R850 PolarHBondContact OG-NH2 3.17Å; D734-R850 VanDerWaalsContact OD2-CD 3.32Å; D734-R850 WeakPolarHBondContact OD2-CD 3.25Å; D734-R850 IonicContact OD2-CZ 3.54Å; D734-R850 IonicContact OD2-NE 3.53Å; D734-R850 IonicContact OD2-NH1 2.68Å; D734-R850 PolarHBondContact OD2-NH1 3.33Å; A741-R850 WeakPolarHBondContact CA-O 3.37Å; V742-R850 HydrophobicContact CB-CB 4.37Å; V742-R850 HydrophobicContact CG2-CB 4.46Å; V742-R850 PolarHBondContact N-O 2.84Å; V742-R850 PolarHBondContact O-N 3.01Å; L848-R850 WeakPolarHBondContact CD1-O 3.36Å
851	P	73.8	Confident	52.1	Low	5 Å²	5	69.5 Å²	69.5	3%	0.032	36%	0.363	C	S	.	.	S	Bend	cis	-60.2	142.8	-5.7	25.7	-35.1	0	0	0	112.6	V525 D734 V738 L848 E853	V525-P851 HydrophobicContact CG1-CG 4.26Å; V525-P851 HydrophobicContact CG2-CB 3.83Å; V525-P851 HydrophobicContact CG2-CG 3.57Å; D734-P851 HydrophobicContact CB-CB 3.29Å; V738-P851 HydrophobicContact CG1-CB 4.34Å; V738-P851 HydrophobicContact CG2-CB 4.14Å; V738-P851 HydrophobicContact CG2-CG 4.39Å; L848-P851 HydrophobicContact CD2-CG 4.17Å; P851-E853 PolarHBondContact O-N 3.48Å
852	A	61.4	Low	51	Low	22 Å²	22	74.3 Å²	74.3	18%	0.182	39%	0.391	C	S	.	.			trans	-74.1	120.2	177.2	0	0	0	0	0	110.6	D734 A854	D734-A852 WeakPolarHBondContact OD2-CB 3.46Å; D734-A852 PolarHBondContact OD2-N 3.27Å; A852-A854 PolarHBondContact O-N 2.83Å
853	E	57.9	Low	49.4	Very low	61 Å²	61	82.4 Å²	82.4	29%	0.285	43%	0.427	S	S	.	.			trans	-73.6	110.7	176.3	-65.4	174	171.1	0	0	110.1	S797 L848 P851	S797-E853 WeakPolarHBondContact CA-OE2 3.29Å; L848-E853 HydrophobicContact CD2-CG 4.34Å; P851-E853 PolarHBondContact O-N 3.48Å
854	A	51.7	Low	48.1	Very low	66 Å²	66	91.3 Å²	91.3	55%	0.545	47%	0.468	S	S	.	.			trans	-114.6	80.7	161.1	0	0	0	0	0	107.7	A852 R856	A852-A854 PolarHBondContact O-N 2.83Å; A854-R856 PolarHBondContact O-N 2.8Å; A854-R856 VanDerWaalsContact O-N 3.12Å
855	E	41.9	Very low	46.4	Very low	160 Å²	160	93.5 Å²	93.5	75%	0.748	50%	0.498	S	S	*	.			trans	-68.5	108.3	167.6	-79.6	-177.8	163.7	0	0	107.8	D857	E855-D857 PolarHBondContact O-N 2.89Å
856	R	31.9	Very low	44.6	Very low	220 Å²	220	97.9 Å²	97.9	83%	0.83	54%	0.537	S	S	*	.			trans	-69.8	113.9	158.6	-74.2	-171.6	-165.2	-171.2	4.8	106.4	A854 V858	A854-R856 PolarHBondContact O-N 2.8Å; A854-R856 VanDerWaalsContact O-N 3.12Å; R856-V858 VanDerWaalsContact C-N 3.26Å; R856-V858 HydrophobicContact CB-CG2 4.48Å; R856-V858 PolarHBondContact O-N 3.19Å
857	D	27.3	Very low	42.8	Very low	153 Å²	153	102.1 Å²	102.1	82%	0.818	56%	0.563	S	S	*	*			trans	-62.7	87.1	171.5	-144.9	-4.1	0	0	0	108.1	E855 S859	E855-D857 PolarHBondContact O-N 2.89Å; D857-S859 PolarHBondContact O-N 3.05Å
858	V	27.2	Very low	41.7	Very low	126 Å²	126	106.6 Å²	106.6	76%	0.764	59%	0.592	S	S	*	*			trans	-82.5	70.9	171.2	-174.3	0	0	0	0	107.1	R856 S860	R856-V858 VanDerWaalsContact C-N 3.26Å; R856-V858 HydrophobicContact CB-CG2 4.48Å; R856-V858 PolarHBondContact O-N 3.19Å; V858-S860 PolarHBondContact O-N 2.98Å
859	S	28.7	Very low	39.8	Very low	86 Å²	86	112.9 Å²	112.9	60%	0.601	63%	0.634	S	S	*	*			trans	-76.8	96.6	160.4	68.1	0	0	0	0	107.4	D857 R861	D857-S859 PolarHBondContact O-N 3.05Å; S859-R861 PolarHBondContact O-N 3.2Å
860	S	28.9	Very low	37.5	Very low	111 Å²	111	115.8 Å²	115.8	78%	0.776	67%	0.671	S	S	*	*			trans	-60.1	100.1	165.5	52.3	0	0	0	0	109.2	V858	V858-S860 PolarHBondContact O-N 2.98Å
861	R	25.3	Very low	35.1	Very low	208 Å²	208	116.8 Å²	116.8	79%	0.785	70%	0.7	S	S	*	*			trans	-86.1	129.8	155.8	-77.4	-174.7	177.2	-174.1	-0.5	107.5	S859 E863	S859-R861 PolarHBondContact O-N 3.2Å; R861-E863 PolarHBondContact O-N 3.19Å
862	P	28.5	Very low	32.9	Very low	121 Å²	121	121.5 Å²	121.5	79%	0.786	74%	0.739	S	S	*	*			trans	-76.7	103.2	169.3	30.5	-26.7	0	0	0	107.2
863	E	26.2	Very low	31.2	Very low	179 Å²	179	127 Å²	127	84%	0.836	77%	0.77	S	S	*	*			trans	-85.1	114.3	163.8	-78.2	-169.7	170.7	0	0	108.5	R861	R861-E863 PolarHBondContact O-N 3.19Å
864	H	30.1	Very low	29.6	Very low	189 Å²	189	129.3 Å²	129.3	88%	0.875	79%	0.793	S	S	*	*			trans	-60.2	148.6	165.3	-85.1	-65.6	0	0	0	110.2
865	G	27.3	Very low	28.3	Very low	79 Å²	79	132.8 Å²	132.8	81%	0.814	81%	0.807	S	S	*	*			trans	-69.6	158.5	-161.8	0	0	0	0	0	116.9
866	A	26.8	Very low	27.5	Very low	106 Å²	106	129.6 Å²	129.6	88%	0.876	80%	0.803	S	S	*	*			trans	-156.7	130.3	135.8	0	0	0	0	0	108.1
867	D	27.6	Very low	27	Very low	156 Å²	156	125.7 Å²	125.7	83%	0.834	81%	0.807	S	S	*	*			trans	-86.6	-175.2	-175	-140.2	4.4	0	0	0	110.3
868	P	40.6	Very low	26.9	Very low	102 Å²	102	129.8 Å²	129.8	66%	0.662	81%	0.811	S	S	*	*				-114.3	160	-114.2	35.6	-19	0	0	0	113.7
869	C	25.1	Very low	26.9	Very low	135 Å²	135	128.8 Å²	128.8	91%	0.912	82%	0.816	S	S	*	*			trans	-166	114.1	157.3	-110.6	0	0	0	0	113.4
870	G	24.8	Very low	26.7	Very low	87 Å²	87	130.6 Å²	130.6	90%	0.897	83%	0.829	S	S	*	*			trans	66.9	123.5	132.8	0	0	0	0	0	121
871	G	24.9	Very low	26.8	Very low	81 Å²	81	130.4 Å²	130.4	84%	0.835	83%	0.834	S	S	*	*			trans	137.2	92.3	144.9	0	0	0	0	0	115.6
872	A	26.6	Very low	26.9	Very low	104 Å²	104	125.7 Å²	125.7	86%	0.86	84%	0.84	S	S	*	*			trans	-71	126.6	161.7	0	0	0	0	0	110.2
873	V	25.5	Very low	26.8	Very low	137 Å²	137	123.5 Å²	123.5	83%	0.83	84%	0.839	S	S	*	*			trans	-147.6	127.7	153.2	-178.1	0	0	0	0	109.8
874	S	25.1	Very low	26.9	Very low	109 Å²	109	119.5 Å²	119.5	76%	0.762	84%	0.836	S	S	*	*			trans	-78	143.1	171.1	48.7	0	0	0	0	112
875	V	24.7	Very low	26.8	Very low	140 Å²	140	118.5 Å²	118.5	85%	0.848	83%	0.832	S	S	*	*			trans	-146	127.6	152.7	-175.1	0	0	0	0	110.9
876	S	23.6	Very low	27	Very low	93 Å²	93	122.6 Å²	122.6	65%	0.65	83%	0.827	S	S	*	*			trans	-69.8	150.8	176.2	67	0	0	0	0	113.8
877	C	23.2	Very low	27.1	Very low	137 Å²	137	123.6 Å²	123.6	93%	0.926	82%	0.822	S	S	*	*			trans	-110.3	114.3	156.9	-86.4	0	0	0	0	110.5
878	R	24.8	Very low	27.3	Very low	240 Å²	240	121.1 Å²	121.1	91%	0.906	82%	0.817	S	S	*	*			trans	-79.1	133.9	166.8	-84.1	-179	177	177.9	-0.6	109.5
879	A	26.6	Very low	27.2	Very low	105 Å²	105	126.1 Å²	126.1	87%	0.868	83%	0.828	S	S	*	*			trans	-68.9	140.5	162.7	0	0	0	0	0	110.7
880	S	25.2	Very low	28	Very low	124 Å²	124	135 Å²	135	87%	0.867	84%	0.843	S	S	*	*			trans	-118.1	113.2	164.4	57.2	0	0	0	0	109.6
881	A	30.7	Very low	28.2	Very low	106 Å²	106	137.4 Å²	137.4	88%	0.876	84%	0.84	S	S	*	*			trans	-107.9	135.3	162.2	0	0	0	0	0	107.9
882	A	26.7	Very low	28.3	Very low	110 Å²	110	140.4 Å²	140.4	91%	0.909	84%	0.84	S	S	*	*			trans	-157.6	136.7	163.8	0	0	0	0	0	105.5
883	G	27.4	Very low	28.4	Very low	75 Å²	75	142.4 Å²	142.4	77%	0.773	84%	0.839	S	S	*	*			cis	161.2	144.5	12.8	0	0	0	0	0	103.4
884	A	26.7	Very low	28.6	Very low	94 Å²	94	142.7 Å²	142.7	78%	0.777	84%	0.84	S	S	*	*				176.6	129.7	71.5	0	0	0	0	0	107.7
885	Q	30	Very low	28.8	Very low	168 Å²	168	144.8 Å²	144.8	79%	0.785	85%	0.845	S	S	*	*				59.6	133.8	104.4	-82.3	-171.1	1.6	0	0	115.5
886	K	30.1	Very low	29.1	Very low	165 Å²	165	145.1 Å²	145.1	72%	0.717	85%	0.845	S	S	*	*			cis	-179.7	161.1	39.7	-130.9	179.4	-171.6	176.8	0	112.8
887	V	30.1	Very low	29.5	Very low	127 Å²	127	148.9 Å²	148.9	77%	0.77	86%	0.858	S	S	*	*			trans	79.9	135.6	148.4	177.8	0	0	0	0	117.6
888	S	30.2	Very low	30	Very low	105 Å²	105	149.8 Å²	149.8	73%	0.734	85%	0.853	S	S	*	*			cis	-165	153.4	-12.7	53.5	0	0	0	0	109.2
889	K	39.6	Very low	30.4	Very low	206 Å²	206	142.3 Å²	142.3	90%	0.896	85%	0.849	S	S	*	*			trans	-71.2	143.2	167.3	-75.1	-179.7	172.9	-178	0	112.7
890	R	41.8	Very low	30.8	Very low	322 Å²	322	145.6 Å²	145.6	100%	1.215	85%	0.847	S	S	*	*				-134.7	0	122.5	-110	-172.2	-174.8	-164.5	1.7	108.5

Retrieved 890 of 890 residues in 245.7 ms (Link to these results)

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