A0A5K4EC52_SCHMA Loading...

Cytohesin-related guanine nucleotide-exchange protein

AlphaFold DB (A0A5K4ECT8), UniProt , Accession A0A5K4EC52, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 809 aa.

						>A0A5K4EC52_SCHMA|A0A5K4EC52
MNSETRTTKSKGSMFTKVLDVKLRRKYFSSFNSPNKQQYSSFENDNLNDDDVQRHSSKTFEIPLKNERHPNDVTATVRKLNRKYLSSHSHSFDTSRKVHTLISDYRRHTLNAKNSTPYSEDRMRIIKGSVCTIFELTSKSQESNTPGKFLSHDVNHTSSCDHRDSEDETNEKVIVLKNNNIEDYKINEVKAVNKNPFGSEKCVSEGDESWFIIPPTGIDGPCSQNQNSTYSSISSIVSDFTSMSHSVGKSTGSHKSLMNTFYTPTMKRRNRLPIPSEFLNSTSSGPVIYKPTTRSSMTNMYSELNKSSDQDSGLSSQLSSTFRSTDVETQSRDMREHRNLVGSSASWATTLRQSMKRANNKRTLLAGCTLFNRNPVEGVNYLIRNYILLSDPIKIAQFLIHEPNLNRQAIGEYFGLLDNTLAMKVLKEFLLLINMKNMEVDVALRSVIGHFHPSGESQKIANLMKIFHEVYIIQNPDRVRKNFHSPETVEVLAYSVLLLHTDLHNPNVGKMGKRMTKQGFINNNRGIDSDHDVSTDLLEGIYDRIAASEFKTLPDPSDKLRALDGVLIGPLKTDNFVQRHRRFIGRILTQEIEKIAPRKLPGRNNARWRHLLIFNDILVVVKSLNTTRLRSGSLINSVAVVAFGDQNGTRHYTPRNSVSRDDSSCSPFGPVQDVTQKVFCSTEPFATDTTFQVRSVYPFLDLRVLVFESNYYRYGVQLCNSNGPVISLNMPSEACRRQFIDWAYGSIAEMEELQQHQQVKKSECERTIIVNCKRSPTKTTANGTISIINGDRCVMPSSRVTEKVILFNT
					

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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	31.1	Very low	29.1	Very low	237 Å²	237	170.9 Å²	170.9	100%	1.167	88%	0.879	S	S	*	*				0	118.4	0	-77.7	-157.4	160.8	0	0	107.3
2	N	29.6	Very low	29.2	Very low	176 Å²	176	160.8 Å²	160.8	94%	0.941	85%	0.848	S	S	*	*			trans	-78.1	127.1	-149.3	-67.4	-15.2	0	0	0	114.1
3	S	26.8	Very low	30.2	Very low	107 Å²	107	153.9 Å²	153.9	75%	0.748	82%	0.821	S	S	*	*			trans	-135.3	138.6	158	53	0	0	0	0	109.4
4	E	27.9	Very low	31.1	Very low	180 Å²	180	147.4 Å²	147.4	84%	0.841	78%	0.784	S	S	*	*			trans	76.4	109.7	160.8	-63.1	178.6	169	0	0	120.3
5	T	33.6	Very low	31.5	Very low	135 Å²	135	140.6 Å²	140.6	83%	0.828	75%	0.746	S	S	*	*				-168.6	95.7	125	22.8	0	0	0	0	109.2	T7	T5-T7 PolarHBondContact O-N 3.22Å
6	R	25.7	Very low	32.4	Very low	254 Å²	254	136.1 Å²	136.1	96%	0.958	73%	0.725	S	S	*	*			trans	-86.2	94.1	170.7	-135	179.2	-175.5	-176.4	0.7	107.2
7	T	32.4	Very low	33.2	Very low	123 Å²	123	136.4 Å²	136.4	76%	0.755	72%	0.719	S	S	*	*			trans	-86	129	174.6	46.1	0	0	0	0	110.9	T5 K9	T5-T7 PolarHBondContact O-N 3.22Å; T7-K9 PolarHBondContact O-N 3.4Å
8	T	28.9	Very low	34	Very low	139 Å²	139	129.2 Å²	129.2	85%	0.853	68%	0.681	S	S	*	*			trans	-63.9	110.3	-177.8	47.9	0	0	0	0	112.5	S10	T8-S10 PolarHBondContact O-N 3.22Å
9	K	27.1	Very low	34.6	Very low	213 Å²	213	123.1 Å²	123.1	93%	0.926	65%	0.649	S	S	*	*			trans	-84.9	92.3	163.6	-76.5	-179.9	177.1	175.9	0	109.4	T7	T7-K9 PolarHBondContact O-N 3.4Å
10	S	27.8	Very low	35.3	Very low	103 Å²	103	121.5 Å²	121.5	72%	0.72	64%	0.641	S	S	*	*			trans	-149.2	92.5	170.7	-177.3	0	0	0	0	111.3	T8	T8-S10 PolarHBondContact O-N 3.22Å
11	K	29.8	Very low	35.4	Very low	213 Å²	213	119.9 Å²	119.9	93%	0.926	64%	0.635	S	S	*	*			trans	-158	67.1	155.5	-71	-160.3	-179.9	172.4	0	109.3
12	G	30.4	Very low	35.7	Very low	50 Å²	50	116.2 Å²	116.2	52%	0.515	61%	0.613	S	S	.	*			trans	-73.9	123.7	162.9	0	0	0	0	0	109.1	M14	G12-M14 PolarHBondContact O-N 3.34Å
13	S	41.8	Very low	36.6	Very low	71 Å²	71	109.1 Å²	109.1	50%	0.497	58%	0.575	S	S	.	*			trans	-46.4	136.2	176.4	169.6	0	0	0	0	111	F15 T16	S13-F15 PolarHBondContact O-N 2.86Å; S13-T16 WeakPolarHBondContact O-CB 3.26Å; S13-T16 PolarHBondContact O-N 3.32Å; S13-T16 PolarHBondContact O-OG1 2.95Å
14	M	42.2	Very low	37.3	Very low	62 Å²	62	107.8 Å²	107.8	31%	0.305	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-45.6	-32.5	178.8	-82.3	-155.6	-66.2	0	0	113.8	G12 T16 K17 E490 V491	G12-M14 PolarHBondContact O-N 3.34Å; M14-T16 PolarHBondContact O-N 2.57Å; M14-T16 VanDerWaalsContact O-N 3.15Å; M14-K17 PolarHBondContact O-N 2.77Å; M14-E490 HydrophobicContact CE-CG 3.81Å; M14-E490 WeakPolarHBondContact CE-OE1 3.49Å; M14-E490 HydrophobicContact SD-CB 4.35Å; M14-E490 VanDerWaalsContact SD-CD 3.54Å; M14-E490 HydrophobicContact SD-CG 3.68Å; M14-E490 VanDerWaalsContact SD-OE1 3.41Å; M14-V491 HydrophobicContact SD-CG2 4Å
15	F	38.2	Very low	37.6	Very low	46 Å²	46	108 Å²	108	20%	0.202	55%	0.547	C	S	.	.	H	α-helix	trans	-55.3	-28.1	174.1	-79.5	-92.8	0	0	0	114.2	S13 R24 F28 A461 Y494	S13-F15 PolarHBondContact O-N 2.86Å; F15-R24 VanDerWaalsContact O-CZ 3.31Å; F15-R24 PolarHBondContact O-NE 2.99Å; F15-R24 PolarHBondContact O-NH2 2.87Å; F15-F28 HydrophobicContact CD1-CE1 4.18Å; F15-F28 HydrophobicContact CD1-CZ 4.22Å; F15-F28 AromaticContact CE1-CE1 3.64Å; F15-F28 HydrophobicContact CE1-CE1 3.64Å; F15-F28 AromaticContact CE1-CZ 3.82Å; F15-F28 HydrophobicContact CE1-CZ 3.82Å; F15-A461 HydrophobicContact CE2-CB 4.47Å; F15-Y494 HydrophobicContact CE1-CE1 4.07Å; F15-Y494 AromaticContact CE1-CZ 3.71Å; F15-Y494 WeakPolarHBondContact CE1-OH 3.23Å; F15-Y494 HydrophobicContact CZ-CE1 4.43Å; F15-Y494 HydrophobicContact CZ-CE2 4.28Å; F15-Y494 AromaticContact CZ-CZ 3.75Å; F15-Y494 VanDerWaalsContact CZ-OH 3.24Å; F15-Y494 WeakPolarHBondContact CZ-OH 3.42Å
16	T	44.7	Very low	37.9	Very low	69 Å²	69	105.8 Å²	105.8	42%	0.423	53%	0.526	S	S	.	.	H	α-helix	trans	-82.1	-22.1	-175.8	60.5	0	0	0	0	112.2	S13 M14	S13-T16 WeakPolarHBondContact O-CB 3.26Å; S13-T16 PolarHBondContact O-N 3.32Å; S13-T16 PolarHBondContact O-OG1 2.95Å; M14-T16 PolarHBondContact O-N 2.57Å; M14-T16 VanDerWaalsContact O-N 3.15Å
17	K	46	Very low	38.6	Very low	140 Å²	140	95.2 Å²	95.2	61%	0.609	49%	0.486	S	S	*	.	H	α-helix	trans	-82.7	-28.8	-177.7	-67.5	-170.3	175.6	-173.1	0	113.3	M14	M14-K17 PolarHBondContact O-N 2.77Å
18	V	48.2	Very low	38.9	Very low	7 Å²	7	91 Å²	91	4%	0.042	46%	0.457	C	S	.	.	H	α-helix	trans	-98.4	-23.9	-168.3	-172.8	0	0	0	0	114.5	V491	V18-V491 HydrophobicContact CG2-CB 4.48Å; V18-V491 HydrophobicContact CG2-CG1 3.17Å
19	L	46.1	Very low	39	Very low	14 Å²	14	89 Å²	89	7%	0.073	45%	0.449	C	S	.	.			trans	-124.8	119	-168.3	-66.1	165.6	0	0	0	111	L23 R24 F28 L498	L19-L23 HydrophobicContact CB-CB 4.35Å; L19-L23 HydrophobicContact CD2-CB 3.81Å; L19-L23 HydrophobicContact CD2-CD2 3.81Å; L19-L23 HydrophobicContact CD2-CG 4.46Å; L19-R24 HydrophobicContact CB-CG 3.63Å; L19-R24 HydrophobicContact CD1-CG 4.34Å; L19-R24 WeakPolarHBondContact O-CD 3.03Å; L19-F28 HydrophobicContact CD1-CD2 4.19Å; L19-F28 HydrophobicContact CD1-CE2 3.52Å; L19-F28 HydrophobicContact CD1-CZ 4.29Å; L19-L498 HydrophobicContact CD1-CD1 3.81Å; L19-L498 HydrophobicContact CD2-CD1 3.84Å; L19-L498 HydrophobicContact CG-CD1 4.13Å
20	D	47.2	Very low	39.2	Very low	91 Å²	91	80.9 Å²	80.9	49%	0.487	42%	0.419	S	S	.	.			trans	-47.8	142.6	161.4	-178.2	8.5	0	0	0	109.1	K22 L23 R24	D20-K22 PolarHBondContact O-N 3.3Å; D20-L23 HydrophobicContact CB-CD1 4.13Å; D20-L23 CarbonylContact O-C 3.4Å; D20-L23 WeakPolarHBondContact O-CA 3.48Å; D20-L23 PolarHBondContact O-N 3.24Å; D20-R24 PolarHBondContact O-N 2.97Å
21	V	38.7	Very low	39.2	Very low	87 Å²	87	78.9 Å²	78.9	53%	0.527	40%	0.397	S	S	.	.	H	α-helix	trans	-51.3	-30.3	178.8	180	0	0	0	0	111.4	R25	V21-R25 PolarHBondContact O-N 2.95Å
22	K	37.6	Very low	39	Very low	161 Å²	161	76 Å²	76	70%	0.7	39%	0.392	S	S	*	.	H	α-helix	trans	-71.7	-41.9	173.8	-74	178.2	179.4	172.1	0	113.7	D20 R25 K26	D20-K22 PolarHBondContact O-N 3.3Å; K22-R25 PolarHBondContact O-N 3.3Å; K22-K26 WeakPolarHBondContact O-CB 3.11Å; K22-K26 PolarHBondContact O-N 2.98Å
23	L	47.5	Very low	38.8	Very low	27 Å²	27	77.6 Å²	77.6	14%	0.141	40%	0.395	C	S	.	.	H	α-helix	trans	-67.4	-41.1	172.1	-89.3	94.9	0	0	0	110.4	L19 D20 R25 K26 Y27 M515 N523	L19-L23 HydrophobicContact CB-CB 4.35Å; L19-L23 HydrophobicContact CD2-CB 3.81Å; L19-L23 HydrophobicContact CD2-CD2 3.81Å; L19-L23 HydrophobicContact CD2-CG 4.46Å; D20-L23 HydrophobicContact CB-CD1 4.13Å; D20-L23 CarbonylContact O-C 3.4Å; D20-L23 WeakPolarHBondContact O-CA 3.48Å; D20-L23 PolarHBondContact O-N 3.24Å; L23-R25 VanDerWaalsContact C-N 3.3Å; L23-R25 PolarHBondContact O-N 2.91Å; L23-K26 PolarHBondContact O-N 3.44Å; L23-Y27 HydrophobicContact CB-CD2 4.01Å; L23-Y27 HydrophobicContact CB-CE2 4.04Å; L23-Y27 HydrophobicContact CD2-CD2 4.17Å; L23-Y27 HydrophobicContact CD2-CE2 3.51Å; L23-Y27 HydrophobicContact CG-CD2 4.25Å; L23-Y27 HydrophobicContact CG-CE2 3.75Å; L23-Y27 WeakPolarHBondContact O-CD2 2.98Å; L23-Y27 PolarHBondContact O-N 3.13Å; L23-M515 HydrophobicContact CD2-CE 3.75Å; L23-N523 VanDerWaalsContact CD2-ND2 3.34Å; L23-N523 WeakPolarHBondContact CD2-ND2 3.43Å
24	R	41.7	Very low	38	Very low	78 Å²	78	79.1 Å²	79.1	29%	0.294	40%	0.404	S	S	.	.	H	α-helix	trans	-53.2	-47.3	169.6	-77.1	167.6	157.6	-134	-24.5	111.2	F15 L19 D20 K26 F28	F15-R24 VanDerWaalsContact O-CZ 3.31Å; F15-R24 PolarHBondContact O-NE 2.99Å; F15-R24 PolarHBondContact O-NH2 2.87Å; L19-R24 HydrophobicContact CB-CG 3.63Å; L19-R24 HydrophobicContact CD1-CG 4.34Å; L19-R24 WeakPolarHBondContact O-CD 3.03Å; D20-R24 PolarHBondContact O-N 2.97Å; R24-K26 PolarHBondContact O-N 3.02Å; R24-F28 CarbonylContact O-C 3.34Å; R24-F28 WeakPolarHBondContact O-CA 3.47Å; R24-F28 WeakPolarHBondContact O-CB 3.47Å; R24-F28 PolarHBondContact O-N 3.24Å
25	R	35.2	Very low	37.4	Very low	184 Å²	184	82.5 Å²	82.5	69%	0.694	42%	0.423	S	S	*	.	H	α-helix	trans	-66.7	-36.3	175	-77.5	-177.7	-173.3	161.9	3	113.3	V21 K22 L23 S29	V21-R25 PolarHBondContact O-N 2.95Å; K22-R25 PolarHBondContact O-N 3.3Å; L23-R25 VanDerWaalsContact C-N 3.3Å; L23-R25 PolarHBondContact O-N 2.91Å; R25-S29 WeakPolarHBondContact O-CB 3.11Å; R25-S29 PolarHBondContact O-N 3.35Å; R25-S29 PolarHBondContact O-OG 3.07Å; R25-S29 VanDerWaalsContact O-OG 3.07Å
26	K	38.3	Very low	36.8	Very low	90 Å²	90	89.2 Å²	89.2	39%	0.391	45%	0.452	S	S	.	.	H	α-helix	trans	-72	-36.1	-178.2	-164.5	-179.5	178.7	-165.3	0	113.5	K22 L23 R24 K513	K22-K26 WeakPolarHBondContact O-CB 3.11Å; K22-K26 PolarHBondContact O-N 2.98Å; L23-K26 PolarHBondContact O-N 3.44Å; R24-K26 PolarHBondContact O-N 3.02Å; K26-K513 PolarHBondContact NZ-O 3.5Å
27	Y	41.1	Very low	35.9	Very low	32 Å²	32	93.7 Å²	93.7	13%	0.125	47%	0.468	C	S	.	.	H	α-helix	trans	-99.8	-20	178.9	-59.9	-78.7	0	0	0	112.9	L23 D502	L23-Y27 HydrophobicContact CB-CD2 4.01Å; L23-Y27 HydrophobicContact CB-CE2 4.04Å; L23-Y27 HydrophobicContact CD2-CD2 4.17Å; L23-Y27 HydrophobicContact CD2-CE2 3.51Å; L23-Y27 HydrophobicContact CG-CD2 4.25Å; L23-Y27 HydrophobicContact CG-CE2 3.75Å; L23-Y27 WeakPolarHBondContact O-CD2 2.98Å; L23-Y27 PolarHBondContact O-N 3.13Å; Y27-D502 HydrophobicContact CE1-CB 4.1Å; Y27-D502 VanDerWaalsContact OH-CG 3.28Å; Y27-D502 PolarHBondContact OH-OD1 3.29Å
28	F	39.3	Very low	34.9	Very low	34 Å²	34	94.6 Å²	94.6	15%	0.149	47%	0.474	C	S	.	.	H	α-helix	trans	-126.1	10.1	-172.1	-57.4	-103.3	0	0	0	115.5	F15 L19 R24 S30 F31 L498	F15-F28 HydrophobicContact CD1-CE1 4.18Å; F15-F28 HydrophobicContact CD1-CZ 4.22Å; F15-F28 AromaticContact CE1-CE1 3.64Å; F15-F28 HydrophobicContact CE1-CE1 3.64Å; F15-F28 AromaticContact CE1-CZ 3.82Å; F15-F28 HydrophobicContact CE1-CZ 3.82Å; L19-F28 HydrophobicContact CD1-CD2 4.19Å; L19-F28 HydrophobicContact CD1-CE2 3.52Å; L19-F28 HydrophobicContact CD1-CZ 4.29Å; R24-F28 CarbonylContact O-C 3.34Å; R24-F28 WeakPolarHBondContact O-CA 3.47Å; R24-F28 WeakPolarHBondContact O-CB 3.47Å; R24-F28 PolarHBondContact O-N 3.24Å; F28-S30 PolarHBondContact O-N 2.88Å; F28-F31 HydrophobicContact CB-CB 3.93Å; F28-F31 HydrophobicContact CB-CD2 3.76Å; F28-F31 HydrophobicContact CB-CE2 4.49Å; F28-F31 HydrophobicContact CB-CG 4.05Å; F28-F31 HydrophobicContact CD1-CB 3.92Å; F28-F31 AromaticContact CD1-CD1 3.66Å; F28-F31 HydrophobicContact CD1-CD1 3.66Å; F28-F31 AromaticContact CD1-CD2 3.2Å; F28-F31 HydrophobicContact CD1-CD2 3.2Å; F28-F31 AromaticContact CD1-CE1 3.87Å; F28-F31 HydrophobicContact CD1-CE1 3.87Å; F28-F31 AromaticContact CD1-CE2 3.34Å; F28-F31 HydrophobicContact CD1-CE2 3.34Å; F28-F31 AromaticContact CD1-CG 3.3Å; F28-F31 HydrophobicContact CD1-CG 3.3Å; F28-F31 AromaticContact CD1-CZ 3.69Å; F28-F31 HydrophobicContact CD1-CZ 3.69Å; F28-F31 HydrophobicContact CE1-CD1 4.04Å; F28-F31 AromaticContact CE1-CD2 3.92Å; F28-F31 HydrophobicContact CE1-CD2 3.92Å; F28-F31 AromaticContact CE1-CE1 3.8Å; F28-F31 HydrophobicContact CE1-CE1 3.8Å; F28-F31 AromaticContact CE1-CE2 3.57Å; F28-F31 HydrophobicContact CE1-CE2 3.57Å; F28-F31 HydrophobicContact CE1-CG 4.09Å; F28-F31 AromaticContact CE1-CZ 3.5Å; F28-F31 HydrophobicContact CE1-CZ 3.5Å; F28-F31 HydrophobicContact CG-CB 4.44Å; F28-F31 AromaticContact CG-CD2 3.73Å; F28-F31 HydrophobicContact CG-CD2 3.73Å; F28-F31 HydrophobicContact CG-CE2 4.02Å; F28-F31 HydrophobicContact CG-CG 4.1Å; F28-F31 HydrophobicContact CZ-CE2 4.46Å; F28-F31 HydrophobicContact CZ-CZ 4.48Å; F28-F31 WeakPolarHBondContact O-CB 3.5Å; F28-F31 PolarHBondContact O-N 3.44Å; F28-L498 HydrophobicContact CZ-CD2 4.44Å
29	S	29.7	Very low	33.8	Very low	96 Å²	96	104.9 Å²	104.9	67%	0.671	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-10.7	166.4	58	0	0	0	0	113.3	R25	R25-S29 WeakPolarHBondContact O-CB 3.11Å; R25-S29 PolarHBondContact O-N 3.35Å; R25-S29 PolarHBondContact O-OG 3.07Å; R25-S29 VanDerWaalsContact O-OG 3.07Å
30	S	31.4	Very low	32.7	Very low	43 Å²	43	109 Å²	109	30%	0.301	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	3	172.2	-55.4	0	0	0	0	114.5	F28 F240	F28-S30 PolarHBondContact O-N 2.88Å; S30-F240 WeakPolarHBondContact CB-O 3.44Å; S30-F240 PolarHBondContact OG-O 2.87Å
31	F	28.5	Very low	31.6	Very low	62 Å²	62	108.7 Å²	108.7	27%	0.272	55%	0.549	S	S	.	.			trans	-101	3.4	-172.7	-85.9	-101.7	0	0	0	115.7	F28 S33 F240 S457	F28-F31 HydrophobicContact CB-CB 3.93Å; F28-F31 HydrophobicContact CB-CD2 3.76Å; F28-F31 HydrophobicContact CB-CE2 4.49Å; F28-F31 HydrophobicContact CB-CG 4.05Å; F28-F31 HydrophobicContact CD1-CB 3.92Å; F28-F31 AromaticContact CD1-CD1 3.66Å; F28-F31 HydrophobicContact CD1-CD1 3.66Å; F28-F31 AromaticContact CD1-CD2 3.2Å; F28-F31 HydrophobicContact CD1-CD2 3.2Å; F28-F31 AromaticContact CD1-CE1 3.87Å; F28-F31 HydrophobicContact CD1-CE1 3.87Å; F28-F31 AromaticContact CD1-CE2 3.34Å; F28-F31 HydrophobicContact CD1-CE2 3.34Å; F28-F31 AromaticContact CD1-CG 3.3Å; F28-F31 HydrophobicContact CD1-CG 3.3Å; F28-F31 AromaticContact CD1-CZ 3.69Å; F28-F31 HydrophobicContact CD1-CZ 3.69Å; F28-F31 HydrophobicContact CE1-CD1 4.04Å; F28-F31 AromaticContact CE1-CD2 3.92Å; F28-F31 HydrophobicContact CE1-CD2 3.92Å; F28-F31 AromaticContact CE1-CE1 3.8Å; F28-F31 HydrophobicContact CE1-CE1 3.8Å; F28-F31 AromaticContact CE1-CE2 3.57Å; F28-F31 HydrophobicContact CE1-CE2 3.57Å; F28-F31 HydrophobicContact CE1-CG 4.09Å; F28-F31 AromaticContact CE1-CZ 3.5Å; F28-F31 HydrophobicContact CE1-CZ 3.5Å; F28-F31 HydrophobicContact CG-CB 4.44Å; F28-F31 AromaticContact CG-CD2 3.73Å; F28-F31 HydrophobicContact CG-CD2 3.73Å; F28-F31 HydrophobicContact CG-CE2 4.02Å; F28-F31 HydrophobicContact CG-CG 4.1Å; F28-F31 HydrophobicContact CZ-CE2 4.46Å; F28-F31 HydrophobicContact CZ-CZ 4.48Å; F28-F31 WeakPolarHBondContact O-CB 3.5Å; F28-F31 PolarHBondContact O-N 3.44Å; F31-S33 PolarHBondContact O-N 2.78Å; F31-F240 AromaticContact CD1-CE1 3.95Å; F31-F240 HydrophobicContact CD1-CE1 3.95Å; F31-F240 HydrophobicContact CD1-CZ 4.3Å; F31-F240 AromaticContact CD2-CD1 3.84Å; F31-F240 HydrophobicContact CD2-CD1 3.84Å; F31-F240 AromaticContact CD2-CE1 3.71Å; F31-F240 HydrophobicContact CD2-CE1 3.71Å; F31-F240 AromaticContact CE1-CE1 3.7Å; F31-F240 HydrophobicContact CE1-CE1 3.7Å; F31-F240 AromaticContact CE1-CZ 3.64Å; F31-F240 HydrophobicContact CE1-CZ 3.64Å; F31-F240 AromaticContact CE2-CD1 3.67Å; F31-F240 HydrophobicContact CE2-CD1 3.67Å; F31-F240 AromaticContact CE2-CE1 3.56Å; F31-F240 HydrophobicContact CE2-CE1 3.56Å; F31-F240 HydrophobicContact CE2-CE2 4.49Å; F31-F240 HydrophobicContact CE2-CG 4.19Å; F31-F240 HydrophobicContact CE2-CZ 4.01Å; F31-F240 HydrophobicContact CG-CD1 4.5Å; F31-F240 AromaticContact CG-CE1 3.97Å; F31-F240 HydrophobicContact CG-CE1 3.97Å; F31-F240 HydrophobicContact CZ-CD1 4.08Å; F31-F240 AromaticContact CZ-CE1 3.56Å; F31-F240 HydrophobicContact CZ-CE1 3.56Å; F31-F240 HydrophobicContact CZ-CE2 4.04Å; F31-F240 AromaticContact CZ-CZ 3.53Å; F31-F240 HydrophobicContact CZ-CZ 3.53Å; F31-S457 WeakPolarHBondContact CE1-OG 3.45Å
32	N	25.6	Very low	31	Very low	152 Å²	152	113.7 Å²	113.7	81%	0.813	56%	0.564	S	S	*	*	S	Bend	trans	-86.7	95.2	152.5	-85.5	-19.8	0	0	0	106.7	P34	N32-P34 WeakPolarHBondContact O-CD 3.42Å
33	S	26.4	Very low	30.4	Very low	83 Å²	83	114.8 Å²	114.8	58%	0.58	57%	0.571	S	S	*	*			trans	-56.5	120.9	169.6	-176.5	0	0	0	0	110	F31 N35	F31-S33 PolarHBondContact O-N 2.78Å; S33-N35 WeakPolarHBondContact OG-CB 3.44Å; S33-N35 PolarHBondContact OG-N 3.22Å
34	P	25.4	Very low	29.3	Very low	104 Å²	104	121 Å²	121	68%	0.675	61%	0.605	S	S	*	*			trans	-92.2	47.1	148.1	35.7	-20.2	0	0	0	108.7	N32 K36 Q37	N32-P34 WeakPolarHBondContact O-CD 3.42Å; P34-K36 PolarHBondContact O-N 3.24Å; P34-Q37 PolarHBondContact O-N 2.78Å
35	N	29.2	Very low	28.6	Very low	132 Å²	132	124.3 Å²	124.3	71%	0.706	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	59.3	164.1	-70.1	-15.6	0	0	0	109.8	S33	S33-N35 WeakPolarHBondContact OG-CB 3.44Å; S33-N35 PolarHBondContact OG-N 3.22Å
36	K	26	Very low	28.1	Very low	188 Å²	188	123 Å²	123	82%	0.817	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109	8	149.9	-111.4	-175.7	179.6	-176.7	0	111.3	P34	P34-K36 PolarHBondContact O-N 3.24Å
37	Q	25.4	Very low	27.6	Very low	163 Å²	163	125.6 Å²	125.6	76%	0.762	65%	0.652	S	S	*	*	S	Bend	trans	-140.1	43.5	-177.5	-68.4	-173.8	-12.4	0	0	113.4	P34	P34-Q37 PolarHBondContact O-N 2.78Å
38	Q	24.8	Very low	26.9	Very low	158 Å²	158	130.9 Å²	130.9	74%	0.738	68%	0.683	S	S	*	*	S	Bend	trans	-159.4	31.5	153.6	-113.6	174	22.7	0	0	112.2
39	Y	25	Very low	26.2	Very low	224 Å²	224	135.8 Å²	135.8	88%	0.878	71%	0.711	S	S	*	*	S	Bend	trans	-147.3	79.4	152.8	-96.3	-90.1	0	0	0	103
40	S	23.7	Very low	26.2	Very low	100 Å²	100	137.9 Å²	137.9	70%	0.699	72%	0.715	S	S	*	*			trans	-135.7	60.7	174.7	70	0	0	0	0	108.6
41	S	24.4	Very low	26.1	Very low	84 Å²	84	143.7 Å²	143.7	59%	0.587	74%	0.742	S	S	*	*	S	Bend	trans	-167.4	121.7	153.1	52.2	0	0	0	0	104.3
42	F	26	Very low	26.1	Very low	192 Å²	192	147.5 Å²	147.5	84%	0.842	77%	0.77	S	S	*	*	S	Bend	trans	85	64.9	-172.9	-50.7	-73	0	0	0	116.1
43	E	24.3	Very low	26.1	Very low	184 Å²	184	148.2 Å²	148.2	86%	0.86	77%	0.769	S	S	*	*	S	Bend	trans	-175.8	86	138.4	-104.8	171.7	-163.3	0	0	107
44	N	24.7	Very low	26	Very low	158 Å²	158	154.8 Å²	154.8	85%	0.845	78%	0.781	S	S	*	*			trans	160.4	81	156.8	-82.2	-26.7	0	0	0	106.9
45	D	26	Very low	26	Very low	147 Å²	147	157.7 Å²	157.7	79%	0.786	79%	0.785	S	S	*	*			trans	-147.8	104.7	143	-88.7	-32.8	0	0	0	106.2	L47	D45-L47 VanDerWaalsContact C-N 3.3Å; D45-L47 HydrophobicContact CB-CD1 4.42Å; D45-L47 PolarHBondContact O-N 3.42Å
46	N	26	Very low	25.8	Very low	158 Å²	158	156.3 Å²	156.3	85%	0.845	79%	0.786	S	S	*	*			trans	-57.7	94.2	162.7	-75.5	-40.1	0	0	0	107.8
47	L	26.6	Very low	26	Very low	143 Å²	143	150.6 Å²	150.6	75%	0.749	77%	0.77	S	S	*	*			trans	-139.1	94.9	170.1	-76.3	171.6	0	0	0	108.8	D45	D45-L47 VanDerWaalsContact C-N 3.3Å; D45-L47 HydrophobicContact CB-CD1 4.42Å; D45-L47 PolarHBondContact O-N 3.42Å
48	N	26.2	Very low	26.2	Very low	144 Å²	144	151.3 Å²	151.3	77%	0.77	77%	0.77	S	S	*	*			trans	21.2	117.5	156.3	-62.2	-22.1	0	0	0	118.3	D50	N48-D50 VanDerWaalsContact C-N 3.33Å; N48-D50 PolarHBondContact O-N 3.18Å
49	D	26.1	Very low	26.6	Very low	137 Å²	137	147.3 Å²	147.3	73%	0.733	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.2	87.4	155.9	-77.5	-47.1	0	0	0	110.4
50	D	29.5	Very low	27.2	Very low	140 Å²	140	142 Å²	142	75%	0.749	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-158.7	-8.3	162.4	-91.5	-37	0	0	0	115.9	N48	N48-D50 VanDerWaalsContact C-N 3.33Å; N48-D50 PolarHBondContact O-N 3.18Å
51	D	27.6	Very low	27.7	Very low	164 Å²	164	141.7 Å²	141.7	88%	0.877	73%	0.726	S	S	*	*			trans	-112.6	33.3	-169.6	-92.3	-26.2	0	0	0	116.8
52	V	28.5	Very low	28.4	Very low	143 Å²	143	141 Å²	141	87%	0.867	72%	0.715	S	S	*	*			trans	-118.2	57.3	172.9	-164.6	0	0	0	0	112
53	Q	25.7	Very low	28.8	Very low	167 Å²	167	137.1 Å²	137.1	78%	0.78	71%	0.709	S	S	*	*			trans	-131.4	97.1	153.3	-83.8	-174.6	-12.4	0	0	107.8
54	R	24.3	Very low	29.4	Very low	221 Å²	221	130.2 Å²	130.2	83%	0.834	68%	0.678	S	S	*	*			trans	157.9	123.2	145.1	-87	161.5	-154.6	-146.3	8	112.9
55	H	26.2	Very low	29.9	Very low	164 Å²	164	132 Å²	132	76%	0.759	68%	0.678	S	S	*	*			trans	68	112.6	143.4	-60.8	-57.4	0	0	0	121.3
56	S	25.8	Very low	30.8	Very low	103 Å²	103	128.8 Å²	128.8	72%	0.72	66%	0.661	S	S	*	*			trans	22.2	100.5	131.6	64.8	0	0	0	0	118.1
57	S	28.4	Very low	31.3	Very low	69 Å²	69	125.7 Å²	125.7	48%	0.483	64%	0.641	S	S	.	*			trans	161.8	120.5	143.4	-75.1	0	0	0	0	109	T59	S57-T59 PolarHBondContact O-N 2.74Å
58	K	30.9	Very low	31.9	Very low	177 Å²	177	123.2 Å²	123.2	77%	0.77	62%	0.622	S	S	*	*			trans	-70.6	110.4	173.1	-78	176.4	177.2	171.7	0	109.7	F60	K58-F60 HydrophobicContact CB-CE2 4.23Å
59	T	32.6	Very low	32.6	Very low	75 Å²	75	122.5 Å²	122.5	46%	0.46	61%	0.614	S	S	.	*			trans	-91.8	129.1	169.6	-50.7	0	0	0	0	108.7	S57 R124	S57-T59 PolarHBondContact O-N 2.74Å; T59-R124 HydrophobicContact CG2-CG 4.29Å
60	F	37.3	Very low	33.2	Very low	111 Å²	111	118.9 Å²	118.9	49%	0.487	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.4	127.1	171.8	-72	-89.4	0	0	0	108.9	K58	K58-F60 HydrophobicContact CB-CE2 4.23Å
61	E	34.5	Very low	33.8	Very low	95 Å²	95	117.7 Å²	117.7	44%	0.444	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.3	130.9	171.4	-67.5	-165.2	152.8	0	0	109.5	R124	E61-R124 HydrophobicContact CG-CG 4.23Å; E61-R124 IonicContact OE1-CZ 3.9Å; E61-R124 IonicContact OE1-NE 3.98Å; E61-R124 PolarHBondContact OE1-NE 3.35Å; E61-R124 IonicContact OE1-NH2 2.71Å; E61-R124 PolarHBondContact OE1-NH2 2.9Å
62	I	39	Very low	34.7	Very low	69 Å²	69	113.9 Å²	113.9	35%	0.354	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.2	122.4	178	-57.9	175.2	0	0	0	108	L64 I102	I62-L64 PolarHBondContact O-N 2.91Å; I62-I102 HydrophobicContact CD1-CD1 4.48Å; I62-I102 HydrophobicContact CD1-CG1 4.24Å
63	P	35.3	Very low	35.5	Very low	111 Å²	111	108.2 Å²	108.2	72%	0.721	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	126.4	174.3	-10.5	24.6	0	0	0	110.1
64	L	37.1	Very low	36.7	Very low	39 Å²	39	102 Å²	102	20%	0.204	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	117.1	175.8	-63.5	174.6	0	0	0	109.9	I62 Y105 D121 M123	I62-L64 PolarHBondContact O-N 2.91Å; L64-Y105 HydrophobicContact CD2-CE1 3.45Å; L64-Y105 VanDerWaalsContact CD2-CE1 3.45Å; L64-Y105 VanDerWaalsContact CD2-OH 3.24Å; L64-Y105 WeakPolarHBondContact CD2-OH 3.47Å; L64-D121 WeakPolarHBondContact CB-O 3.44Å; L64-D121 HydrophobicContact CD1-CB 4.3Å; L64-M123 HydrophobicContact CD1-CB 4.11Å
65	K	33.7	Very low	38.1	Very low	195 Å²	195	94 Å²	94	85%	0.848	49%	0.491	S	S	*	.			trans	-102.2	109.2	156.5	-73.8	-176.9	177.4	-178.6	0	106.7
66	N	44.7	Very low	39.3	Very low	80 Å²	80	87.3 Å²	87.3	43%	0.428	46%	0.462	S	S	.	.			trans	159.6	120.6	145.2	-83.4	-1.5	0	0	0	113.8	R68	N66-R68 PolarHBondContact O-N 2.84Å
67	E	36.6	Very low	40.6	Very low	93 Å²	93	83 Å²	83	44%	0.435	43%	0.431	S	S	.	.				32.2	64.3	122.1	-57	-177.7	-168.6	0	0	118.8
68	R	39.3	Very low	41.9	Very low	90 Å²	90	86.7 Å²	86.7	34%	0.34	44%	0.435	S	S	.	.			trans	-148.7	146.4	160.3	-74	-160.7	-179	162.2	7.1	113.8	N66 D72 V73 H108	N66-R68 PolarHBondContact O-N 2.84Å; R68-D72 HydrophobicContact CB-CB 4.37Å; R68-V73 HydrophobicContact CB-CG2 4.14Å; R68-H108 VanDerWaalsContact CZ-O 3.24Å; R68-H108 PolarHBondContact NH1-O 3.29Å; R68-H108 PolarHBondContact NH2-O 2.99Å
69	H	40.5	Very low	43.3	Very low	129 Å²	129	85 Å²	85	60%	0.597	43%	0.427	S	S	*	.			trans	-61.5	141.6	172.2	-146	-76.3	0	0	0	110.1	N71 D72	H69-N71 PolarHBondContact O-N 3.41Å; H69-D72 PolarHBondContact O-N 3.31Å
70	P	40	Very low	44.2	Very low	61 Å²	61	82 Å²	82	40%	0.396	41%	0.408	S	S	.	.	H	α-helix	trans	-53.2	-26.5	-176.3	13.5	-30	0	0	0	115.2	T74 F134	P70-T74 PolarHBondContact O-N 2.95Å; P70-T74 PolarHBondContact O-OG1 3.31Å; P70-F134 HydrophobicContact CB-CE1 3.84Å; P70-F134 HydrophobicContact CB-CZ 3.93Å
71	N	41.7	Very low	44.9	Very low	115 Å²	115	78.9 Å²	78.9	62%	0.615	40%	0.397	S	S	*	.	H	α-helix	trans	-71.3	-32.3	178	-68.2	-22.5	0	0	0	113	H69 A75	H69-N71 PolarHBondContact O-N 3.41Å; N71-A75 PolarHBondContact O-N 3.46Å; N71-A75 VanDerWaalsContact O-N 3.1Å
72	D	46.9	Very low	46.1	Very low	84 Å²	84	84.1 Å²	84.1	45%	0.449	41%	0.412	S	S	.	.	H	α-helix	trans	-77.7	-33.9	-179.6	-71.3	-27	0	0	0	112.3	R68 H69 T74 A75 T76	R68-D72 HydrophobicContact CB-CB 4.37Å; H69-D72 PolarHBondContact O-N 3.31Å; D72-T74 VanDerWaalsContact C-N 3.33Å; D72-A75 PolarHBondContact O-N 3.38Å; D72-T76 WeakPolarHBondContact O-CB 3.18Å; D72-T76 PolarHBondContact O-N 2.92Å; D72-T76 PolarHBondContact O-OG1 3.06Å
73	V	45.6	Very low	47	Very low	25 Å²	25	86.5 Å²	86.5	15%	0.152	42%	0.42	C	S	.	.	H	α-helix	trans	-62.9	-45.4	172.7	-177.8	0	0	0	0	109.4	R68 A75 T76 V77 T132	R68-V73 HydrophobicContact CB-CG2 4.14Å; V73-A75 PolarHBondContact O-N 2.93Å; V73-T76 PolarHBondContact O-N 3.18Å; V73-V77 HydrophobicContact CG1-CG2 4.48Å; V73-V77 VanDerWaalsContact O-CG2 3.29Å; V73-V77 WeakPolarHBondContact O-CG2 3.2Å; V73-V77 PolarHBondContact O-N 3.35Å; V73-T132 HydrophobicContact CG1-CG2 3.85Å
74	T	49.3	Very low	47.7	Very low	37 Å²	37	84.7 Å²	84.7	23%	0.227	40%	0.399	C	S	.	.	H	α-helix	trans	-63.3	-39.4	178.2	-47.5	0	0	0	0	112.3	P70 D72 R78	P70-T74 PolarHBondContact O-N 2.95Å; P70-T74 PolarHBondContact O-OG1 3.31Å; D72-T74 VanDerWaalsContact C-N 3.33Å; T74-R78 VanDerWaalsContact CG2-CZ 3.47Å; T74-R78 WeakPolarHBondContact O-CG 2.98Å; T74-R78 PolarHBondContact O-N 2.97Å
75	A	53.9	Low	48	Very low	51 Å²	51	87.4 Å²	87.4	42%	0.421	41%	0.414	S	S	.	.	H	α-helix	trans	-66.3	-39.5	174.9	0	0	0	0	0	112.5	N71 D72 V73 R78 K79	N71-A75 PolarHBondContact O-N 3.46Å; N71-A75 VanDerWaalsContact O-N 3.1Å; D72-A75 PolarHBondContact O-N 3.38Å; V73-A75 PolarHBondContact O-N 2.93Å; A75-R78 PolarHBondContact O-N 3.28Å; A75-K79 WeakPolarHBondContact O-CB 3.45Å; A75-K79 PolarHBondContact O-N 2.86Å
76	T	52.5	Low	48	Very low	24 Å²	24	82.3 Å²	82.3	15%	0.147	40%	0.403	C	S	.	.	H	α-helix	trans	-68.2	-41.6	178.6	-51.6	0	0	0	0	111.3	D72 V73 K79 L80 H108	D72-T76 WeakPolarHBondContact O-CB 3.18Å; D72-T76 PolarHBondContact O-N 2.92Å; D72-T76 PolarHBondContact O-OG1 3.06Å; V73-T76 PolarHBondContact O-N 3.18Å; T76-K79 PolarHBondContact O-N 3.42Å; T76-L80 HydrophobicContact CG2-CD1 4.18Å; T76-L80 WeakPolarHBondContact O-CG 3.43Å; T76-L80 PolarHBondContact O-N 3.42Å; T76-H108 HydrophobicContact CG2-CB 4.46Å
77	V	52.2	Low	47.4	Very low	12 Å²	12	83.3 Å²	83.3	7%	0.073	42%	0.416	C	S	.	.	H	α-helix	trans	-61.6	-45.2	173.6	170.6	0	0	0	0	111.4	V73 K79 L80 N81 M123 V130	V73-V77 HydrophobicContact CG1-CG2 4.48Å; V73-V77 VanDerWaalsContact O-CG2 3.29Å; V73-V77 WeakPolarHBondContact O-CG2 3.2Å; V73-V77 PolarHBondContact O-N 3.35Å; V77-K79 VanDerWaalsContact C-N 3.29Å; V77-K79 PolarHBondContact O-N 3.07Å; V77-L80 PolarHBondContact O-N 2.86Å; V77-N81 WeakPolarHBondContact O-CB 3.47Å; V77-N81 PolarHBondContact O-N 2.84Å; V77-M123 HydrophobicContact CG2-CE 3.37Å; V77-V130 HydrophobicContact CG1-CB 4.12Å; V77-V130 HydrophobicContact CG1-CG1 3.93Å; V77-V130 HydrophobicContact CG2-CG1 4.06Å
78	R	56.2	Low	47.1	Very low	148 Å²	148	88.4 Å²	88.4	56%	0.558	44%	0.439	S	S	*	.	H	α-helix	trans	-61.1	-37.3	174.7	-74.3	-179.1	-170.5	119.6	-0.5	112.4	T74 A75 R82	T74-R78 VanDerWaalsContact CG2-CZ 3.47Å; T74-R78 WeakPolarHBondContact O-CG 2.98Å; T74-R78 PolarHBondContact O-N 2.97Å; A75-R78 PolarHBondContact O-N 3.28Å; R78-R82 WeakPolarHBondContact O-CG 3.2Å; R78-R82 PolarHBondContact O-N 3.37Å
79	K	59.3	Low	46.7	Very low	140 Å²	140	88.5 Å²	88.5	61%	0.609	45%	0.454	S	S	*	.	H	α-helix	trans	-69.9	-37.7	178.3	-160	171.4	-174.2	174.4	0	112.1	A75 T76 V77 K83	A75-K79 WeakPolarHBondContact O-CB 3.45Å; A75-K79 PolarHBondContact O-N 2.86Å; T76-K79 PolarHBondContact O-N 3.42Å; V77-K79 VanDerWaalsContact C-N 3.29Å; V77-K79 PolarHBondContact O-N 3.07Å; K79-K83 WeakPolarHBondContact O-CB 3.22Å; K79-K83 PolarHBondContact O-N 3.02Å; K79-K83 VanDerWaalsContact O-N 3.11Å
80	L	52.6	Low	46.2	Very low	12 Å²	12	92.1 Å²	92.1	6%	0.063	47%	0.471	C	S	.	.	H	α-helix	trans	-72.1	-42.2	175.3	-71.5	165.9	0	0	0	112.1	T76 V77 R82 K83 Y84 Y105	T76-L80 HydrophobicContact CG2-CD1 4.18Å; T76-L80 WeakPolarHBondContact O-CG 3.43Å; T76-L80 PolarHBondContact O-N 3.42Å; V77-L80 PolarHBondContact O-N 2.86Å; L80-R82 VanDerWaalsContact C-N 3.3Å; L80-R82 PolarHBondContact O-N 3.46Å; L80-K83 PolarHBondContact O-N 3.44Å; L80-K83 VanDerWaalsContact O-N 3.09Å; L80-Y84 HydrophobicContact CD2-CD2 4.17Å; L80-Y84 HydrophobicContact CD2-CE2 3.81Å; L80-Y84 WeakPolarHBondContact O-CD2 3.45Å; L80-Y84 PolarHBondContact O-N 2.64Å; L80-Y105 HydrophobicContact CD1-CD2 3.65Å; L80-Y105 HydrophobicContact CD1-CE2 4.36Å
81	N	51.3	Low	45.9	Very low	47 Å²	47	92.1 Å²	92.1	25%	0.251	47%	0.472	S	S	.	.	H	α-helix	trans	-59.7	-39.8	172.2	-77.8	-17.9	0	0	0	111	V77 K83 L85	V77-N81 WeakPolarHBondContact O-CB 3.47Å; V77-N81 PolarHBondContact O-N 2.84Å; N81-K83 PolarHBondContact O-N 3.45Å; N81-L85 VanDerWaalsContact O-CA 3.3Å; N81-L85 WeakPolarHBondContact O-CA 3.36Å; N81-L85 WeakPolarHBondContact O-CB 3.34Å; N81-L85 PolarHBondContact O-N 3.37Å
82	R	59.7	Low	45.7	Very low	204 Å²	204	91.8 Å²	91.8	77%	0.77	47%	0.465	S	S	*	.	H	α-helix	trans	-67.4	-32.1	173.3	-73.9	-177.7	-157.5	178	5	114.2	R78 L80	R78-R82 WeakPolarHBondContact O-CG 3.2Å; R78-R82 PolarHBondContact O-N 3.37Å; L80-R82 VanDerWaalsContact C-N 3.3Å; L80-R82 PolarHBondContact O-N 3.46Å
83	K	58.3	Low	45.1	Very low	120 Å²	120	94 Å²	94	52%	0.522	48%	0.477	S	S	.	.	H	α-helix	trans	-79.9	-30.6	-175.4	-170.5	177.4	-178.3	-171.5	0	113	K79 L80 N81 D104	K79-K83 WeakPolarHBondContact O-CB 3.22Å; K79-K83 PolarHBondContact O-N 3.02Å; K79-K83 VanDerWaalsContact O-N 3.11Å; L80-K83 PolarHBondContact O-N 3.44Å; L80-K83 VanDerWaalsContact O-N 3.09Å; N81-K83 PolarHBondContact O-N 3.45Å; K83-D104 IonicContact NZ-OD2 2.9Å; K83-D104 PolarHBondContact NZ-OD2 2.81Å
84	Y	49.6	Very low	44.7	Very low	72 Å²	72	96.2 Å²	96.2	28%	0.282	49%	0.49	S	S	.	.	H	α-helix	trans	-116.6	-7.6	-173.4	-66.1	-77.3	0	0	0	113.8	L80 L101 D104	L80-Y84 HydrophobicContact CD2-CD2 4.17Å; L80-Y84 HydrophobicContact CD2-CE2 3.81Å; L80-Y84 WeakPolarHBondContact O-CD2 3.45Å; L80-Y84 PolarHBondContact O-N 2.64Å; Y84-L101 HydrophobicContact CD1-CD1 4.31Å; Y84-L101 HydrophobicContact CD2-CD1 3.42Å; Y84-L101 VanDerWaalsContact CD2-CD1 3.42Å; Y84-L101 HydrophobicContact CE1-CD1 4.48Å; Y84-L101 HydrophobicContact CE2-CD1 3.65Å; Y84-L101 HydrophobicContact CG-CD1 3.79Å; Y84-D104 PolarHBondContact OH-OD2 2.73Å
85	L	43.3	Very low	44.2	Very low	96 Å²	96	98.7 Å²	98.7	50%	0.503	51%	0.51	S	S	.	.			trans	-119.1	63	179.4	-132.9	80.6	0	0	0	109.7	N81 G128	N81-L85 VanDerWaalsContact O-CA 3.3Å; N81-L85 WeakPolarHBondContact O-CA 3.36Å; N81-L85 WeakPolarHBondContact O-CB 3.34Å; N81-L85 PolarHBondContact O-N 3.37Å; L85-G128 WeakPolarHBondContact CD1-O 3.46Å
86	S	35	Very low	43.6	Very low	88 Å²	88	101.8 Å²	101.8	62%	0.615	51%	0.51	S	S	*	.			trans	-120.1	122	164.6	59.6	0	0	0	0	109.6
87	S	30.4	Very low	43.3	Very low	101 Å²	101	105.8 Å²	105.8	71%	0.706	53%	0.526	S	S	*	.	S	Bend	trans	61.1	106.4	172.4	53.3	0	0	0	0	118.2	S89	S87-S89 PolarHBondContact O-N 3.23Å
88	H	31.1	Very low	43	Very low	200 Å²	200	107 Å²	107	93%	0.926	53%	0.533	S	S	*	.			trans	43.4	76.1	144.5	-70.3	59.8	0	0	0	116.8
89	S	30.4	Very low	42.7	Very low	92 Å²	92	105.7 Å²	105.7	64%	0.643	53%	0.533	S	S	*	.			trans	-152.3	104.6	157.1	48.7	0	0	0	0	112.1	S87 S91	S87-S89 PolarHBondContact O-N 3.23Å; S89-S91 PolarHBondContact O-N 2.86Å
90	H	31.5	Very low	42.5	Very low	206 Å²	206	102.2 Å²	102.2	95%	0.954	52%	0.523	S	S	*	.			trans	-69.8	77.8	162.5	-76.4	-77.1	0	0	0	109.1
91	S	33.8	Very low	42.5	Very low	60 Å²	60	103 Å²	103	42%	0.42	53%	0.527	S	S	.	.			trans	-177.4	103.8	162.8	170.6	0	0	0	0	110.1	S89 D93	S89-S91 PolarHBondContact O-N 2.86Å; S91-D93 PolarHBondContact O-N 3.47Å; S91-D93 WeakPolarHBondContact OG-CB 3.38Å; S91-D93 PolarHBondContact OG-N 3Å
92	F	37.3	Very low	42.5	Very low	108 Å²	108	102.7 Å²	102.7	47%	0.474	53%	0.526	S	S	.	.			trans	-86.4	38.3	161.8	-101.6	-85.6	0	0	0	110.4	T94	F92-T94 PolarHBondContact O-N 3.12Å
93	D	33.7	Very low	42.3	Very low	131 Å²	131	95.3 Å²	95.3	70%	0.701	51%	0.505	S	S	*	.			trans	-87.6	92.3	169.4	-86	-38	0	0	0	109.3	S91	S91-D93 PolarHBondContact O-N 3.47Å; S91-D93 WeakPolarHBondContact OG-CB 3.38Å; S91-D93 PolarHBondContact OG-N 3Å
94	T	37.5	Very low	42.1	Very low	71 Å²	71	90.4 Å²	90.4	44%	0.436	49%	0.485	S	S	.	.			trans	-179.1	115.5	149.7	22	0	0	0	0	109.4	F92 R96 K97	F92-T94 PolarHBondContact O-N 3.12Å; T94-R96 PolarHBondContact O-N 2.07Å; T94-K97 PolarHBondContact O-N 2.94Å; T94-K97 WeakPolarHBondContact OG1-CD 3.44Å
95	S	38.1	Very low	42.2	Very low	90 Å²	90	88.8 Å²	88.8	63%	0.629	48%	0.478	S	S	*	.	H	α-helix	trans	-49.1	-29.3	175.5	178.3	0	0	0	0	113.3	V98 H99	S95-V98 PolarHBondContact O-N 3.13Å; S95-H99 PolarHBondContact O-N 3.47Å
96	R	41.4	Very low	42.6	Very low	116 Å²	116	91.7 Å²	91.7	44%	0.438	48%	0.482	S	S	.	.	H	α-helix	trans	-63.2	-39.1	173.9	-78.1	-177.1	-175.4	-172.9	-3.3	114.3	T94 T100 P570 K572	T94-R96 PolarHBondContact O-N 2.07Å; R96-T100 WeakPolarHBondContact O-CB 3.24Å; R96-T100 PolarHBondContact O-N 2.96Å; R96-T100 PolarHBondContact O-OG1 2.92Å; R96-P570 PolarHBondContact NH1-O 2.98Å; R96-P570 PolarHBondContact NH2-O 3.38Å; R96-K572 PolarHBondContact NH2-O 3.03Å
97	K	46.3	Very low	43.5	Very low	108 Å²	108	95.7 Å²	95.7	47%	0.47	48%	0.484	S	S	.	.	H	α-helix	trans	-69.7	-37.5	179.4	-70	-177.7	-176.7	176.9	0	110.9	T94 T100 L101	T94-K97 PolarHBondContact O-N 2.94Å; T94-K97 WeakPolarHBondContact OG1-CD 3.44Å; K97-T100 PolarHBondContact O-N 2.83Å; K97-L101 WeakPolarHBondContact O-CB 3.04Å; K97-L101 PolarHBondContact O-N 2.89Å
98	V	46.6	Very low	44.5	Very low	37 Å²	37	95 Å²	95	22%	0.224	47%	0.47	C	S	.	.	H	α-helix	trans	-67.2	-46.5	175.1	179.2	0	0	0	0	111.1	S95 T100 L101 I102	S95-V98 PolarHBondContact O-N 3.13Å; V98-T100 VanDerWaalsContact C-N 3.31Å; V98-T100 PolarHBondContact O-N 2.77Å; V98-L101 WeakPolarHBondContact O-CB 3.07Å; V98-L101 PolarHBondContact O-N 3.34Å; V98-I102 HydrophobicContact CG1-CD1 3.73Å; V98-I102 HydrophobicContact CG1-CG1 4.4Å; V98-I102 WeakPolarHBondContact O-CB 3.42Å; V98-I102 VanDerWaalsContact O-CG1 3.23Å; V98-I102 WeakPolarHBondContact O-CG1 3.2Å; V98-I102 PolarHBondContact O-N 3.05Å
99	H	48.5	Very low	45.1	Very low	120 Å²	120	86.9 Å²	86.9	56%	0.556	43%	0.434	S	S	*	.	H	α-helix	trans	-62.2	-36.9	175.2	-107.9	-87	0	0	0	113	S95 S103	S95-H99 PolarHBondContact O-N 3.47Å; H99-S103 VanDerWaalsContact O-CB 3.24Å; H99-S103 WeakPolarHBondContact O-CB 3.37Å; H99-S103 PolarHBondContact O-N 2.84Å; H99-S103 PolarHBondContact O-OG 2.84Å
100	T	55.3	Low	45.6	Very low	67 Å²	67	88.1 Å²	88.1	41%	0.411	43%	0.433	S	S	.	.	H	α-helix	trans	-69.5	-41.6	176.5	-52.2	0	0	0	0	111	R96 K97 V98 S103 D104	R96-T100 WeakPolarHBondContact O-CB 3.24Å; R96-T100 PolarHBondContact O-N 2.96Å; R96-T100 PolarHBondContact O-OG1 2.92Å; K97-T100 PolarHBondContact O-N 2.83Å; V98-T100 VanDerWaalsContact C-N 3.31Å; V98-T100 PolarHBondContact O-N 2.77Å; T100-S103 PolarHBondContact O-N 2.81Å; T100-D104 WeakPolarHBondContact O-CB 3.34Å; T100-D104 PolarHBondContact O-N 2.89Å
101	L	52.5	Low	46	Very low	28 Å²	28	85.2 Å²	85.2	15%	0.147	42%	0.424	C	S	.	.	H	α-helix	trans	-60.7	-47.4	173.8	-169.1	89.4	0	0	0	111.4	Y84 K97 V98 S103 D104 Y105 I125	Y84-L101 HydrophobicContact CD1-CD1 4.31Å; Y84-L101 HydrophobicContact CD2-CD1 3.42Å; Y84-L101 VanDerWaalsContact CD2-CD1 3.42Å; Y84-L101 HydrophobicContact CE1-CD1 4.48Å; Y84-L101 HydrophobicContact CE2-CD1 3.65Å; Y84-L101 HydrophobicContact CG-CD1 3.79Å; K97-L101 WeakPolarHBondContact O-CB 3.04Å; K97-L101 PolarHBondContact O-N 2.89Å; V98-L101 WeakPolarHBondContact O-CB 3.07Å; V98-L101 PolarHBondContact O-N 3.34Å; L101-S103 VanDerWaalsContact C-N 3.34Å; L101-S103 PolarHBondContact O-N 2.92Å; L101-D104 PolarHBondContact O-N 3.1Å; L101-Y105 VanDerWaalsContact O-CB 3.29Å; L101-Y105 WeakPolarHBondContact O-CB 3.47Å; L101-Y105 PolarHBondContact O-N 2.77Å; L101-I125 HydrophobicContact CD2-CD1 4.4Å
102	I	53	Low	46	Very low	42 Å²	42	84.7 Å²	84.7	22%	0.215	42%	0.424	C	S	.	.	H	α-helix	trans	-62.7	-41.4	177.3	-68.7	167.7	0	0	0	110.8	I62 V98 Y105 R106	I62-I102 HydrophobicContact CD1-CD1 4.48Å; I62-I102 HydrophobicContact CD1-CG1 4.24Å; V98-I102 HydrophobicContact CG1-CD1 3.73Å; V98-I102 HydrophobicContact CG1-CG1 4.4Å; V98-I102 WeakPolarHBondContact O-CB 3.42Å; V98-I102 VanDerWaalsContact O-CG1 3.23Å; V98-I102 WeakPolarHBondContact O-CG1 3.2Å; V98-I102 PolarHBondContact O-N 3.05Å; I102-Y105 PolarHBondContact O-N 2.93Å; I102-R106 WeakPolarHBondContact O-CB 3.49Å; I102-R106 WeakPolarHBondContact O-CG 3.41Å; I102-R106 PolarHBondContact O-N 2.84Å
103	S	54	Low	45.7	Very low	48 Å²	48	88.9 Å²	88.9	34%	0.336	44%	0.442	S	S	.	.	H	α-helix	trans	-70.3	-37.3	179.3	-59.8	0	0	0	0	112.6	H99 T100 L101 R107	H99-S103 VanDerWaalsContact O-CB 3.24Å; H99-S103 WeakPolarHBondContact O-CB 3.37Å; H99-S103 PolarHBondContact O-N 2.84Å; H99-S103 PolarHBondContact O-OG 2.84Å; T100-S103 PolarHBondContact O-N 2.81Å; L101-S103 VanDerWaalsContact C-N 3.34Å; L101-S103 PolarHBondContact O-N 2.92Å; S103-R107 WeakPolarHBondContact O-CB 3.44Å; S103-R107 WeakPolarHBondContact O-CG 3.42Å; S103-R107 PolarHBondContact O-N 2.8Å
104	D	55.2	Low	45.5	Very low	17 Å²	17	89.1 Å²	89.1	9%	0.091	44%	0.443	C	S	.	.	H	α-helix	trans	-71.7	-36.6	174.9	-85.2	10.3	0	0	0	112.1	K83 Y84 T100 L101 R107 H108	K83-D104 IonicContact NZ-OD2 2.9Å; K83-D104 PolarHBondContact NZ-OD2 2.81Å; Y84-D104 PolarHBondContact OH-OD2 2.73Å; T100-D104 WeakPolarHBondContact O-CB 3.34Å; T100-D104 PolarHBondContact O-N 2.89Å; L101-D104 PolarHBondContact O-N 3.1Å; D104-R107 PolarHBondContact O-N 3.39Å; D104-R107 IonicContact OD1-CZ 2.78Å; D104-R107 IonicContact OD1-NE 3.21Å; D104-R107 IonicContact OD1-NH2 2.86Å; D104-R107 PolarHBondContact OD1-NH2 3.38Å; D104-H108 WeakPolarHBondContact O-CB 3.22Å; D104-H108 PolarHBondContact O-CD2 3.04Å; D104-H108 PolarHBondContact O-N 3.43Å
105	Y	50.7	Low	45	Very low	39 Å²	39	90.2 Å²	90.2	15%	0.153	45%	0.453	C	S	.	.	H	α-helix	trans	-64.9	-49.6	173.3	-173.3	-92.2	0	0	0	111	L64 L80 L101 I102 R107 H108 T109 M123	L64-Y105 HydrophobicContact CD2-CE1 3.45Å; L64-Y105 VanDerWaalsContact CD2-CE1 3.45Å; L64-Y105 VanDerWaalsContact CD2-OH 3.24Å; L64-Y105 WeakPolarHBondContact CD2-OH 3.47Å; L80-Y105 HydrophobicContact CD1-CD2 3.65Å; L80-Y105 HydrophobicContact CD1-CE2 4.36Å; L101-Y105 VanDerWaalsContact O-CB 3.29Å; L101-Y105 WeakPolarHBondContact O-CB 3.47Å; L101-Y105 PolarHBondContact O-N 2.77Å; I102-Y105 PolarHBondContact O-N 2.93Å; Y105-R107 VanDerWaalsContact C-N 3.32Å; Y105-R107 PolarHBondContact O-N 2.89Å; Y105-H108 CarbonylContact O-C 3.52Å; Y105-H108 PolarHBondContact O-N 2.97Å; Y105-T109 HydrophobicContact CD1-CG2 4.16Å; Y105-T109 HydrophobicContact CE1-CG2 3.74Å; Y105-T109 HydrophobicContact CE2-CG2 4.39Å; Y105-T109 PolarHBondContact O-N 3.07Å; Y105-T109 PolarHBondContact O-OG1 3Å; Y105-M123 HydrophobicContact CE2-CE 3.89Å; Y105-M123 HydrophobicContact CE2-SD 4.14Å
106	R	52.4	Low	44.5	Very low	156 Å²	156	91.7 Å²	91.7	59%	0.589	46%	0.459	S	S	*	.	H	α-helix	trans	-56.8	-42.7	174	-78.3	179.7	179.3	171.6	0.6	112.1	I102 H108 T109 L110	I102-R106 WeakPolarHBondContact O-CB 3.49Å; I102-R106 WeakPolarHBondContact O-CG 3.41Å; I102-R106 PolarHBondContact O-N 2.84Å; R106-H108 VanDerWaalsContact C-N 3.28Å; R106-H108 PolarHBondContact O-N 3.24Å; R106-T109 WeakPolarHBondContact CA-OG1 3.22Å; R106-T109 PolarHBondContact O-N 2.97Å; R106-T109 PolarHBondContact O-OG1 3.44Å; R106-L110 HydrophobicContact CB-CD1 4.06Å; R106-L110 VanDerWaalsContact O-CB 3.27Å; R106-L110 WeakPolarHBondContact O-CB 3.38Å; R106-L110 WeakPolarHBondContact O-CD1 2.79Å; R106-L110 VanDerWaalsContact O-CG 3.28Å; R106-L110 WeakPolarHBondContact O-CG 3.33Å; R106-L110 PolarHBondContact O-N 3.47Å
107	R	53.2	Low	44	Very low	173 Å²	173	92.4 Å²	92.4	65%	0.653	48%	0.479	S	S	*	.	H	α-helix	trans	-63	-33	174.9	-86.6	-172.6	-78	-167.4	-1.5	113	S103 D104 Y105	S103-R107 WeakPolarHBondContact O-CB 3.44Å; S103-R107 WeakPolarHBondContact O-CG 3.42Å; S103-R107 PolarHBondContact O-N 2.8Å; D104-R107 PolarHBondContact O-N 3.39Å; D104-R107 IonicContact OD1-CZ 2.78Å; D104-R107 IonicContact OD1-NE 3.21Å; D104-R107 IonicContact OD1-NH2 2.86Å; D104-R107 PolarHBondContact OD1-NH2 3.38Å; Y105-R107 VanDerWaalsContact C-N 3.32Å; Y105-R107 PolarHBondContact O-N 2.89Å
108	H	51.3	Low	43	Very low	87 Å²	87	97.5 Å²	97.5	40%	0.403	50%	0.496	S	S	.	.	H	α-helix	trans	-82.2	-19.9	177.8	-91.3	-66.7	0	0	0	114	R68 T76 D104 Y105 R106	R68-H108 VanDerWaalsContact CZ-O 3.24Å; R68-H108 PolarHBondContact NH1-O 3.29Å; R68-H108 PolarHBondContact NH2-O 2.99Å; T76-H108 HydrophobicContact CG2-CB 4.46Å; D104-H108 WeakPolarHBondContact O-CB 3.22Å; D104-H108 PolarHBondContact O-CD2 3.04Å; D104-H108 PolarHBondContact O-N 3.43Å; Y105-H108 CarbonylContact O-C 3.52Å; Y105-H108 PolarHBondContact O-N 2.97Å; R106-H108 VanDerWaalsContact C-N 3.28Å; R106-H108 PolarHBondContact O-N 3.24Å
109	T	44.8	Very low	42.4	Very low	29 Å²	29	100.9 Å²	100.9	18%	0.178	52%	0.522	C	S	.	.	H	α-helix	trans	-102.4	-20.5	-177.8	51.2	0	0	0	0	115.2	Y105 R106 N111	Y105-T109 HydrophobicContact CD1-CG2 4.16Å; Y105-T109 HydrophobicContact CE1-CG2 3.74Å; Y105-T109 HydrophobicContact CE2-CG2 4.39Å; Y105-T109 PolarHBondContact O-N 3.07Å; Y105-T109 PolarHBondContact O-OG1 3Å; R106-T109 WeakPolarHBondContact CA-OG1 3.22Å; R106-T109 PolarHBondContact O-N 2.97Å; R106-T109 PolarHBondContact O-OG1 3.44Å; T109-N111 VanDerWaalsContact C-N 3.3Å; T109-N111 PolarHBondContact O-N 3.16Å
110	L	41.4	Very low	41.6	Very low	118 Å²	118	102.6 Å²	102.6	62%	0.618	53%	0.53	S	S	*	.			trans	-81	17.6	-174.7	-80.1	164.3	0	0	0	116.7	R106	R106-L110 HydrophobicContact CB-CD1 4.06Å; R106-L110 VanDerWaalsContact O-CB 3.27Å; R106-L110 WeakPolarHBondContact O-CB 3.38Å; R106-L110 WeakPolarHBondContact O-CD1 2.79Å; R106-L110 VanDerWaalsContact O-CG 3.28Å; R106-L110 WeakPolarHBondContact O-CG 3.33Å; R106-L110 PolarHBondContact O-N 3.47Å
111	N	40	Very low	40.5	Very low	145 Å²	145	102.9 Å²	102.9	78%	0.775	53%	0.529	S	S	*	.			trans	-101.5	20.5	-173.3	-94.6	2.4	0	0	0	116.2	T109	T109-N111 VanDerWaalsContact C-N 3.3Å; T109-N111 PolarHBondContact O-N 3.16Å
112	A	33.6	Very low	39.8	Very low	49 Å²	49	108 Å²	108	41%	0.405	55%	0.546	S	S	.	.			trans	-123	131.6	178.3	0	0	0	0	0	111.7
113	K	30.2	Very low	39	Very low	195 Å²	195	106.9 Å²	106.9	85%	0.848	54%	0.54	S	S	*	.			trans	-105.7	132.2	174.1	-77.6	180	175.5	178.1	0	108.1
114	N	30.1	Very low	38.3	Very low	136 Å²	136	109.1 Å²	109.1	73%	0.727	54%	0.542	S	S	*	.			trans	97.6	120	156.4	-54.3	-18.8	0	0	0	118.5
115	S	26.9	Very low	37.6	Very low	94 Å²	94	110.1 Å²	110.1	66%	0.657	55%	0.547	S	S	*	.			trans	100.7	120.8	149.9	76.4	0	0	0	0	120.4
116	T	26.8	Very low	37	Very low	122 Å²	122	111.7 Å²	111.7	75%	0.748	56%	0.557	S	S	*	*			trans	22.8	127.8	162.3	53.6	0	0	0	0	121.6
117	P	31.2	Very low	36.2	Very low	131 Å²	131	112.7 Å²	112.7	85%	0.851	57%	0.565	S	S	*	*			trans	-84.4	131	-176.7	33.5	-31.5	0	0	0	114
118	Y	26	Very low	35.3	Very low	214 Å²	214	105.4 Å²	105.4	84%	0.839	54%	0.544	S	S	*	.			trans	-107.7	139.1	158.6	-95.9	-94	0	0	0	109.1
119	S	32.3	Very low	34.4	Very low	108 Å²	108	103.9 Å²	103.9	76%	0.755	54%	0.543	S	S	*	.			trans	39	130.9	169.6	63.7	0	0	0	0	120.7	D121	S119-D121 PolarHBondContact O-N 2.96Å
120	E	31.8	Very low	34.2	Very low	156 Å²	156	103.6 Å²	103.6	73%	0.729	54%	0.541	S	S	*	.			trans	-73	114.4	178.3	-67.5	-174.3	154.6	0	0	113.2
121	D	32.7	Very low	33.9	Very low	74 Å²	74	100.6 Å²	100.6	40%	0.396	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	134.6	165.9	-82.2	-24.3	0	0	0	110.8	L64 S119	L64-D121 WeakPolarHBondContact CB-O 3.44Å; L64-D121 HydrophobicContact CD1-CB 4.3Å; S119-D121 PolarHBondContact O-N 2.96Å
122	R	37.8	Very low	33.7	Very low	134 Å²	134	96 Å²	96	51%	0.506	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	134	176.9	-64	-173.8	-178.3	-166.8	4.9	111.6
123	M	36.5	Very low	33.6	Very low	19 Å²	19	97.6 Å²	97.6	9%	0.094	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130.3	174.3	-154.6	-176.1	-138.2	0	0	110.5	L64 V77 Y105 V130	L64-M123 HydrophobicContact CD1-CB 4.11Å; V77-M123 HydrophobicContact CG2-CE 3.37Å; Y105-M123 HydrophobicContact CE2-CE 3.89Å; Y105-M123 HydrophobicContact CE2-SD 4.14Å; M123-V130 HydrophobicContact CE-CG1 3.26Å; M123-V130 HydrophobicContact CG-CG1 4.21Å; M123-V130 HydrophobicContact SD-CG1 3.85Å
124	R	39.9	Very low	33.5	Very low	95 Å²	95	94.2 Å²	94.2	36%	0.358	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	136.7	174.4	-78.5	-172.7	-173.7	160.9	7.2	111.5	T59 E61 I126 C131	T59-R124 HydrophobicContact CG2-CG 4.29Å; E61-R124 HydrophobicContact CG-CG 4.23Å; E61-R124 IonicContact OE1-CZ 3.9Å; E61-R124 IonicContact OE1-NE 3.98Å; E61-R124 PolarHBondContact OE1-NE 3.35Å; E61-R124 IonicContact OE1-NH2 2.71Å; E61-R124 PolarHBondContact OE1-NH2 2.9Å; R124-I126 HydrophobicContact CB-CD1 4.36Å; R124-I126 HydrophobicContact CB-CG1 4.2Å; R124-C131 PolarHBondContact N-O 3.24Å; R124-C131 PolarHBondContact O-N 2.63Å; R124-C131 VanDerWaalsContact O-N 3.11Å
125	I	39.7	Very low	33.3	Very low	38 Å²	38	95.8 Å²	95.8	20%	0.195	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	114.4	165.9	-58.5	176.1	0	0	0	107.9	L101	L101-I125 HydrophobicContact CD2-CD1 4.4Å
126	I	39.5	Very low	33.1	Very low	73 Å²	73	99.4 Å²	99.4	37%	0.374	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	119.7	179.2	-57.5	175	0	0	0	108.1	R124 G128 S129	R124-I126 HydrophobicContact CB-CD1 4.36Å; R124-I126 HydrophobicContact CB-CG1 4.2Å; I126-G128 VanDerWaalsContact C-N 3.26Å; I126-G128 PolarHBondContact O-N 2.65Å; I126-G128 VanDerWaalsContact O-N 3.13Å; I126-S129 PolarHBondContact N-O 2.92Å; I126-S129 WeakPolarHBondContact O-CB 3.36Å; I126-S129 PolarHBondContact O-N 2.87Å
127	K	34	Very low	33	Very low	176 Å²	176	99.2 Å²	99.2	77%	0.765	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	38.5	175.2	-64.9	-176.6	176	179.3	0	114.9	S129	K127-S129 VanDerWaalsContact C-N 3.29Å; K127-S129 PolarHBondContact O-N 2.8Å
128	G	34.7	Very low	32.7	Very low	20 Å²	20	98.5 Å²	98.5	21%	0.206	50%	0.504	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	4.2	-179.1	0	0	0	0	0	115.1	L85 I126	L85-G128 WeakPolarHBondContact CD1-O 3.46Å; I126-G128 VanDerWaalsContact C-N 3.26Å; I126-G128 PolarHBondContact O-N 2.65Å; I126-G128 VanDerWaalsContact O-N 3.13Å
129	S	33.1	Very low	32.6	Very low	55 Å²	55	97.4 Å²	97.4	39%	0.385	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	134.9	173.7	-62.9	0	0	0	0	110.9	I126 K127	I126-S129 PolarHBondContact N-O 2.92Å; I126-S129 WeakPolarHBondContact O-CB 3.36Å; I126-S129 PolarHBondContact O-N 2.87Å; K127-S129 VanDerWaalsContact C-N 3.29Å; K127-S129 PolarHBondContact O-N 2.8Å
130	V	39.8	Very low	32.3	Very low	23 Å²	23	98 Å²	98	14%	0.139	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	117.5	173.6	-179.7	0	0	0	0	109	V77 M123	V77-V130 HydrophobicContact CG1-CB 4.12Å; V77-V130 HydrophobicContact CG1-CG1 3.93Å; V77-V130 HydrophobicContact CG2-CG1 4.06Å; M123-V130 HydrophobicContact CE-CG1 3.26Å; M123-V130 HydrophobicContact CG-CG1 4.21Å; M123-V130 HydrophobicContact SD-CG1 3.85Å
131	C	35.9	Very low	31.9	Very low	56 Å²	56	99.2 Å²	99.2	38%	0.378	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	139.6	179.2	-64.3	0	0	0	0	111.6	R124	R124-C131 PolarHBondContact N-O 3.24Å; R124-C131 PolarHBondContact O-N 2.63Å; R124-C131 VanDerWaalsContact O-N 3.11Å
132	T	34.6	Very low	31.6	Very low	48 Å²	48	104.5 Å²	104.5	29%	0.294	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132.1	169.6	28	0	0	0	0	110	V73	V73-T132 HydrophobicContact CG1-CG2 3.85Å
133	I	32.5	Very low	31	Very low	82 Å²	82	102.7 Å²	102.7	42%	0.421	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.1	172.7	-59.7	175.2	0	0	0	107.2
134	F	27.5	Very low	30.5	Very low	125 Å²	125	108.6 Å²	108.6	55%	0.548	58%	0.576	S	S	.	*			trans	-97.1	115	171.7	-67.1	-78.4	0	0	0	108.7	P70	P70-F134 HydrophobicContact CB-CE1 3.84Å; P70-F134 HydrophobicContact CB-CZ 3.93Å
135	E	26.2	Very low	30	Very low	168 Å²	168	110.5 Å²	110.5	79%	0.785	60%	0.598	S	S	*	*			trans	-87.5	107.8	165.7	-91.2	-177.6	166.7	0	0	109.2	T137	E135-T137 PolarHBondContact O-N 3.16Å
136	L	23.3	Very low	29.7	Very low	170 Å²	170	114.7 Å²	114.7	89%	0.89	63%	0.628	S	S	*	*			trans	-77.7	96.9	169.6	-78.2	160.5	0	0	0	108.8	S138	L136-S138 PolarHBondContact O-N 3.4Å
137	T	24.7	Very low	29.2	Very low	119 Å²	119	114.6 Å²	114.6	73%	0.73	65%	0.645	S	S	*	*			trans	-78.1	100.1	163.5	57	0	0	0	0	108.9	E135 K139	E135-T137 PolarHBondContact O-N 3.16Å; T137-K139 PolarHBondContact O-N 3.4Å; T137-K139 VanDerWaalsContact O-N 3.15Å
138	S	24.7	Very low	29	Very low	115 Å²	115	115 Å²	115	80%	0.804	65%	0.646	S	S	*	*			trans	-64.5	106.5	168.7	47.3	0	0	0	0	110.2	L136	L136-S138 PolarHBondContact O-N 3.4Å
139	K	23.6	Very low	28.6	Very low	192 Å²	192	121.3 Å²	121.3	84%	0.835	67%	0.669	S	S	*	*			trans	-88.3	107.4	159.9	-81.1	-177.9	175.2	178.7	0	108.2	T137	T137-K139 PolarHBondContact O-N 3.4Å; T137-K139 VanDerWaalsContact O-N 3.15Å
140	S	26.4	Very low	28.3	Very low	120 Å²	120	125.4 Å²	125.4	84%	0.839	69%	0.686	S	S	*	*			trans	-86.2	108.5	159.7	36	0	0	0	0	108.8
141	Q	23.7	Very low	27.8	Very low	182 Å²	182	127.9 Å²	127.9	85%	0.85	70%	0.704	S	S	*	*			trans	-80.7	131.9	153.1	-80.8	-176	-48.9	0	0	107.4
142	E	25.7	Very low	27.5	Very low	184 Å²	184	133 Å²	133	86%	0.86	72%	0.722	S	S	*	*			trans	-173.4	119.2	131.3	-105.2	169.2	-173.4	0	0	112.9
143	S	25.9	Very low	27.3	Very low	96 Å²	96	136.8 Å²	136.8	67%	0.671	74%	0.74	S	S	*	*			trans	54.4	122.3	142.1	65	0	0	0	0	123.9
144	N	26	Very low	27.3	Very low	144 Å²	144	137.6 Å²	137.6	77%	0.77	75%	0.749	S	S	*	*				88.8	109.5	127.7	-70.9	-10.6	0	0	0	122.7
145	T	28.2	Very low	27.4	Very low	134 Å²	134	137.5 Å²	137.5	82%	0.822	75%	0.754	S	S	*	*				95.5	135.6	129.7	40.7	0	0	0	0	121.6
146	P	33	Very low	27.8	Very low	127 Å²	127	136.5 Å²	136.5	83%	0.825	75%	0.749	S	S	*	*			trans	-116.8	161.6	-163.5	39	-22.9	0	0	0	115
147	G	30.3	Very low	28	Very low	70 Å²	70	134.2 Å²	134.2	72%	0.722	74%	0.742	S	S	*	*			trans	-173.3	89.6	168.4	0	0	0	0	0	114.9
148	K	28.4	Very low	28.3	Very low	184 Å²	184	133.6 Å²	133.6	80%	0.8	74%	0.743	S	S	*	*				35.7	132.6	117.5	-100.8	167.8	168.1	-174.8	0	117.6
149	F	27.2	Very low	28.6	Very low	153 Å²	153	133.1 Å²	133.1	67%	0.671	74%	0.74	S	S	*	*				-178.7	142.6	54.9	-116.9	-82.7	0	0	0	110
150	L	27.4	Very low	28.8	Very low	142 Å²	142	129.5 Å²	129.5	74%	0.743	74%	0.737	S	S	*	*			trans	45.4	153.3	137.7	-91.8	66.9	0	0	0	122.1
151	S	28.1	Very low	29.1	Very low	75 Å²	75	131.4 Å²	131.4	52%	0.524	74%	0.738	S	S	.	*			cis	169.4	163	-13.7	47.9	0	0	0	0	108.9
152	H	31.2	Very low	29.4	Very low	162 Å²	162	130.2 Å²	130.2	75%	0.75	73%	0.732	S	S	*	*			trans	75.4	146.5	152	-71.9	-54.2	0	0	0	118.8
153	D	30	Very low	29.7	Very low	128 Å²	128	132.8 Å²	132.8	68%	0.684	73%	0.734	S	S	*	*			cis	-177.4	158.8	-21.7	-126.6	-14.9	0	0	0	108.6
154	V	31.2	Very low	29.7	Very low	99 Å²	99	135.2 Å²	135.2	60%	0.6	74%	0.739	S	S	*	*			trans	82.6	112.2	136.9	170.8	0	0	0	0	123.3
155	N	30.9	Very low	29.9	Very low	123 Å²	123	134.3 Å²	134.3	66%	0.658	74%	0.744	S	S	*	*				56.4	137.3	128	-54.9	-12.7	0	0	0	124.3
156	H	33.3	Very low	29.9	Very low	148 Å²	148	136.7 Å²	136.7	69%	0.685	75%	0.746	S	S	*	*				165.4	128.7	92.8	-98.8	-64.4	0	0	0	114.6
157	T	28.5	Very low	29.8	Very low	121 Å²	121	138.8 Å²	138.8	74%	0.742	75%	0.75	S	S	*	*			trans	48.9	151.8	132.6	57.2	0	0	0	0	121.8
158	S	31.3	Very low	29.6	Very low	107 Å²	107	144.3 Å²	144.3	75%	0.748	76%	0.757	S	S	*	*			cis	176.8	175	0.9	49.6	0	0	0	0	110.2
159	S	31	Very low	29.8	Very low	105 Å²	105	142.4 Å²	142.4	73%	0.734	76%	0.761	S	S	*	*			trans	93.5	112.1	161.7	92.6	0	0	0	0	116.9
160	C	26.9	Very low	29.7	Very low	115 Å²	115	142.4 Å²	142.4	78%	0.777	77%	0.768	S	S	*	*				74.5	114.9	56.4	-64	0	0	0	0	114.2
161	D	33	Very low	29.5	Very low	160 Å²	160	143.4 Å²	143.4	86%	0.856	77%	0.769	S	S	*	*				-173.6	153.5	119.1	-99.3	-25.4	0	0	0	115.9
162	H	30.6	Very low	29.5	Very low	157 Å²	157	148.6 Å²	148.6	73%	0.727	78%	0.782	S	S	*	*			trans	-70.5	163.1	-168.8	-76.7	-88.6	0	0	0	118.3
163	R	31.1	Very low	29.1	Very low	239 Å²	239	147.3 Å²	147.3	90%	0.902	79%	0.785	S	S	*	*				165	151.3	102.5	-84.4	-172.5	-172.5	179.7	2.6	114.9
164	D	26	Very low	28.9	Very low	146 Å²	146	148.4 Å²	148.4	78%	0.781	79%	0.79	S	S	*	*			trans	-74.6	159.7	-169.1	-50.7	-73.4	0	0	0	117.1
165	S	30.9	Very low	28.6	Very low	125 Å²	125	149.3 Å²	149.3	87%	0.874	80%	0.795	S	S	*	*			trans	-178	139.8	132.4	30.5	0	0	0	0	112.7
166	E	27.1	Very low	28.4	Very low	185 Å²	185	151.4 Å²	151.4	86%	0.864	81%	0.805	S	S	*	*			trans	-78	150.2	176.8	-58.2	174.7	145.9	0	0	111.1
167	D	30.8	Very low	28.1	Very low	171 Å²	171	152.9 Å²	152.9	91%	0.914	81%	0.81	S	S	*	*			trans	-164.4	128.6	147.8	-102.1	-24.4	0	0	0	112.5
168	E	26.2	Very low	28.1	Very low	186 Å²	186	154.3 Å²	154.3	87%	0.869	81%	0.813	S	S	*	*			trans	-68.8	139.6	170.6	-68.6	179	132.8	0	0	111.3
169	T	33.1	Very low	27.9	Very low	143 Å²	143	154.8 Å²	154.8	88%	0.877	81%	0.807	S	S	*	*			trans	-146.8	133.3	153.2	40.5	0	0	0	0	113.1
170	N	24.5	Very low	27.9	Very low	153 Å²	153	156.7 Å²	156.7	82%	0.818	81%	0.809	S	S	*	*			trans	-73.8	162.4	176.1	-76.1	-52.3	0	0	0	113.5
171	E	24.6	Very low	28	Very low	164 Å²	164	157.9 Å²	157.9	77%	0.766	81%	0.806	S	S	*	*			trans	76.4	116.4	139.4	-95.1	-175.5	-167.9	0	0	121.4
172	K	27	Very low	27.9	Very low	183 Å²	183	159.4 Å²	159.4	80%	0.796	81%	0.808	S	S	*	*				168	131.2	104.6	-98.1	159.7	-173.7	176.5	0	112.7
173	V	23.2	Very low	27.6	Very low	135 Å²	135	158 Å²	158	82%	0.818	81%	0.806	S	S	*	*			trans	-102.9	134.7	171.7	172.1	0	0	0	0	108.6	V175	V173-V175 HydrophobicContact CG1-CG2 4.22Å
174	I	25.5	Very low	27.6	Very low	151 Å²	151	158.3 Å²	158.3	77%	0.774	81%	0.809	S	S	*	*			trans	-126.4	123.5	170.9	-61.5	176.6	0	0	0	108.2
175	V	25	Very low	27.6	Very low	118 Å²	118	159.8 Å²	159.8	72%	0.715	81%	0.808	S	S	*	*			trans	-108.7	132.8	174.7	174.1	0	0	0	0	108.8	V173	V173-V175 HydrophobicContact CG1-CG2 4.22Å
176	L	27.1	Very low	27.6	Very low	167 Å²	167	161.1 Å²	161.1	87%	0.874	80%	0.804	S	S	*	*			trans	-108.7	124.6	167.5	-72.9	172	0	0	0	110.4
177	K	25.8	Very low	27.7	Very low	180 Å²	180	159.2 Å²	159.2	78%	0.783	80%	0.8	S	S	*	*			trans	-89.9	150.8	175.4	-95.8	-179.5	172.6	179.4	0	111.7
178	N	29	Very low	27.4	Very low	151 Å²	151	159.2 Å²	159.2	81%	0.807	79%	0.794	S	S	*	*			trans	-165.6	147	135.5	-94.4	-12.4	0	0	0	107.6
179	N	28.7	Very low	27.6	Very low	116 Å²	116	157.3 Å²	157.3	62%	0.62	80%	0.796	S	S	*	*			cis	-167.5	146.8	-34.3	-106.8	-11.1	0	0	0	104.5
180	N	30.7	Very low	27.3	Very low	145 Å²	145	158.8 Å²	158.8	78%	0.775	79%	0.79	S	S	*	*			trans	120.9	76.8	170.1	-62.7	-9.1	0	0	0	111.4
181	I	27.9	Very low	27.4	Very low	140 Å²	140	155.8 Å²	155.8	72%	0.718	79%	0.786	S	S	*	*				62.4	108.1	85.3	-55.7	169	0	0	0	108.5
182	E	30.7	Very low	27.6	Very low	193 Å²	193	154.8 Å²	154.8	90%	0.902	79%	0.791	S	S	*	*				-136.3	140.8	69.7	-72.1	174.2	169.2	0	0	114.6
183	D	25.5	Very low	27.6	Very low	128 Å²	128	153.1 Å²	153.1	68%	0.684	79%	0.791	S	S	*	*			trans	-68.9	145.8	-175.3	-71.3	-56.9	0	0	0	114.5
184	Y	30.6	Very low	28	Very low	244 Å²	244	156.5 Å²	156.5	96%	0.957	79%	0.794	S	S	*	*				-150.9	123.7	125.2	-92.3	-75.8	0	0	0	109.7
185	K	26.1	Very low	28.1	Very low	177 Å²	177	156.9 Å²	156.9	77%	0.77	80%	0.798	S	S	*	*			trans	-76	153.9	-179.2	-76.5	170.5	169.6	171.7	0	111.7
186	I	30.1	Very low	28.6	Very low	153 Å²	153	156 Å²	156	79%	0.785	80%	0.795	S	S	*	*				178.3	113.4	107.7	-81.4	152.3	0	0	0	111.1
187	N	29.9	Very low	28.8	Very low	145 Å²	145	157.9 Å²	157.9	78%	0.775	80%	0.796	S	S	*	*			trans	33.5	119.7	142.1	-53.6	-17	0	0	0	123.2
188	E	24.4	Very low	28.9	Very low	171 Å²	171	152.4 Å²	152.4	80%	0.799	79%	0.791	S	S	*	*			trans	-62.9	142.7	154.6	-72	179.5	128.3	0	0	112.8
189	V	31.3	Very low	28.9	Very low	147 Å²	147	150.4 Å²	150.4	89%	0.891	79%	0.789	S	S	*	*			trans	-134.8	116.9	146.1	178.2	0	0	0	0	108.6
190	K	24.9	Very low	28.9	Very low	174 Å²	174	152.9 Å²	152.9	76%	0.757	80%	0.796	S	S	*	*			trans	-76.8	139.6	164.6	-68.8	173.4	178.7	171.7	0	109.1
191	A	26.9	Very low	28.7	Very low	90 Å²	90	154.6 Å²	154.6	74%	0.744	80%	0.797	S	S	*	*				167	123.9	129.7	0	0	0	0	0	113.9
192	V	30.2	Very low	28.6	Very low	142 Å²	142	153.2 Å²	153.2	86%	0.861	80%	0.798	S	S	*	*			trans	86	116.3	133.6	-177.8	0	0	0	0	120
193	N	25.6	Very low	28.4	Very low	148 Å²	148	150.4 Å²	150.4	79%	0.791	80%	0.795	S	S	*	*			trans	-39.5	138.4	162.8	-79.2	-35.5	0	0	0	116
194	K	32.3	Very low	28.5	Very low	207 Å²	207	149 Å²	149	90%	0.9	79%	0.794	S	S	*	*				177.7	129.9	115.4	-93.5	165.5	-175.5	-178.1	0	112
195	N	28.5	Very low	28.3	Very low	159 Å²	159	146.9 Å²	146.9	85%	0.85	79%	0.793	S	S	*	*			trans	-57.8	179	169	-86.6	-8.5	0	0	0	114.1
196	P	34.8	Very low	28.4	Very low	99 Å²	99	142.1 Å²	142.1	64%	0.643	79%	0.794	S	S	*	*			cis	-135.8	-168.3	-49.4	38.6	-19.4	0	0	0	111.5
197	F	30.1	Very low	28.3	Very low	206 Å²	206	142.5 Å²	142.5	90%	0.904	80%	0.798	S	S	*	*			trans	104	125	168.4	-77.5	-88.1	0	0	0	118.6
198	G	28.1	Very low	28.1	Very low	65 Å²	65	144.5 Å²	144.5	67%	0.67	80%	0.803	S	S	*	*			trans	104.4	99.4	130.7	0	0	0	0	0	118.7
199	S	29.4	Very low	28.2	Very low	110 Å²	110	140.8 Å²	140.8	77%	0.769	80%	0.796	S	S	*	*			trans	61.2	115.9	139.6	57.2	0	0	0	0	122.1
200	E	29.2	Very low	28	Very low	167 Å²	167	144.9 Å²	144.9	78%	0.78	80%	0.795	S	S	*	*			trans	79	106.6	131.6	-65.9	-169	134.3	0	0	122.1
201	K	25.5	Very low	28.1	Very low	181 Å²	181	145.3 Å²	145.3	79%	0.787	80%	0.798	S	S	*	*				54.3	107.9	127	-71.2	179.8	178.4	169.5	0	119.2
202	C	26.9	Very low	28.2	Very low	111 Å²	111	147.5 Å²	147.5	75%	0.75	80%	0.795	S	S	*	*				165.8	124	95.3	-94.9	0	0	0	0	112.8
203	V	25.8	Very low	28	Very low	135 Å²	135	147.9 Å²	147.9	82%	0.818	79%	0.791	S	S	*	*			trans	48.5	122.2	133.1	-171.7	0	0	0	0	117.6
204	S	29.1	Very low	27.9	Very low	97 Å²	97	145.2 Å²	145.2	68%	0.678	78%	0.782	S	S	*	*				-170.9	142.7	57.1	38.6	0	0	0	0	114.1
205	E	26.1	Very low	27.8	Very low	200 Å²	200	139.8 Å²	139.8	94%	0.935	77%	0.768	S	S	*	*			trans	60.2	124.6	138.9	-66.8	177	161.7	0	0	123.6
206	G	27.4	Very low	27.7	Very low	77 Å²	77	138.9 Å²	138.9	79%	0.794	77%	0.768	S	S	*	*			trans	171.7	87.8	166.1	0	0	0	0	0	113.7
207	D	27.1	Very low	27.2	Very low	162 Å²	162	137.4 Å²	137.4	87%	0.866	77%	0.771	S	S	*	*			trans	4.2	118.6	162.3	-63.9	-35	0	0	0	121.9
208	E	27.4	Very low	27	Very low	187 Å²	187	135.8 Å²	135.8	87%	0.874	77%	0.77	S	S	*	*			trans	-160	94	138.6	-99.4	-164.6	179	0	0	110.1
209	S	25.2	Very low	27	Very low	93 Å²	93	140.6 Å²	140.6	65%	0.65	78%	0.78	S	S	*	*			trans	-94.5	98.8	-178.7	63	0	0	0	0	112.4
210	W	28.6	Very low	26.8	Very low	232 Å²	232	138.9 Å²	138.9	88%	0.879	78%	0.78	S	S	*	*			trans	-109.7	100.5	157.2	-73.6	73.3	0	0	0	108.8	I212	W210-I212 PolarHBondContact O-N 3.43Å
211	F	26.9	Very low	26.7	Very low	184 Å²	184	137.1 Å²	137.1	81%	0.807	78%	0.783	S	S	*	*			trans	-67.9	102.5	177.4	-72.7	-88	0	0	0	110.4	I213	F211-I213 PolarHBondContact O-N 3.07Å
212	I	28.1	Very low	26.6	Very low	136 Å²	136	134.6 Å²	134.6	70%	0.697	79%	0.787	S	S	*	*			trans	-71.5	112.7	157.3	-62.6	174.7	0	0	0	105.8	W210 P214	W210-I212 PolarHBondContact O-N 3.43Å; I212-P214 WeakPolarHBondContact O-CD 3.15Å
213	I	25.6	Very low	26.7	Very low	149 Å²	149	134.5 Å²	134.5	76%	0.764	79%	0.787	S	S	*	*			trans	-59.7	119.1	176.8	-59.4	170.7	0	0	0	107.3	F211	F211-I213 PolarHBondContact O-N 3.07Å
214	P	23.3	Very low	26.7	Very low	93 Å²	93	136.9 Å²	136.9	60%	0.604	79%	0.789	S	S	*	*			trans	-68.9	139.3	179.9	28.3	-31.9	0	0	0	109.2	I212 T216	I212-P214 WeakPolarHBondContact O-CD 3.15Å; P214-T216 PolarHBondContact O-N 3.49Å; P214-T216 VanDerWaalsContact O-N 3.08Å
215	P	30.4	Very low	26.6	Very low	93 Å²	93	138.3 Å²	138.3	60%	0.604	79%	0.789	S	S	*	*			trans	-67.5	109.8	167.4	27.6	-29.5	0	0	0	107.6	G217	P215-G217 PolarHBondContact O-N 3.04Å; P215-G217 VanDerWaalsContact O-N 3.07Å
216	T	26.4	Very low	26.6	Very low	139 Å²	139	137.2 Å²	137.2	85%	0.853	78%	0.784	S	S	*	*			trans	-65.1	105.8	170.4	47.9	0	0	0	0	108.7	P214	P214-T216 PolarHBondContact O-N 3.49Å; P214-T216 VanDerWaalsContact O-N 3.08Å
217	G	23.9	Very low	26.5	Very low	68 Å²	68	140.1 Å²	140.1	70%	0.701	78%	0.782	S	S	*	*			trans	-80.4	150.1	171.6	0	0	0	0	0	112.3	P215	P215-G217 PolarHBondContact O-N 3.04Å; P215-G217 VanDerWaalsContact O-N 3.07Å
218	I	27.2	Very low	26.5	Very low	173 Å²	173	138.3 Å²	138.3	89%	0.887	78%	0.782	S	S	*	*			trans	-140.4	121.1	154	-61.9	-177.7	0	0	0	107.5
219	D	28.2	Very low	26.6	Very low	166 Å²	166	134.2 Å²	134.2	89%	0.888	77%	0.769	S	S	*	*			trans	-83.3	145.3	172.9	-77.8	-55.3	0	0	0	112.8
220	G	24.4	Very low	26.8	Very low	74 Å²	74	135.7 Å²	135.7	76%	0.763	76%	0.761	S	S	*	*			trans	102.9	156.9	145	0	0	0	0	0	118.8
221	P	26.3	Very low	27	Very low	130 Å²	130	125.3 Å²	125.3	84%	0.844	72%	0.724	S	S	*	*			cis	-119.8	171	-16.4	38.2	-22.9	0	0	0	114
222	C	25.1	Very low	27.5	Very low	128 Å²	128	118.4 Å²	118.4	87%	0.865	70%	0.699	S	S	*	*			trans	-46.7	127.8	174.3	-141.2	0	0	0	0	114.3
223	S	28.6	Very low	28	Very low	108 Å²	108	112 Å²	112	76%	0.755	67%	0.666	S	S	*	*			trans	-125.6	112.7	154.8	70	0	0	0	0	109.4	N225	S223-N225 PolarHBondContact O-N 2.87Å
224	Q	24.5	Very low	28.4	Very low	185 Å²	185	105.2 Å²	105.2	86%	0.864	63%	0.632	S	S	*	*			trans	-55	114.9	169.8	-67.1	171.3	-17.1	0	0	109.2
225	N	27.9	Very low	29	Very low	127 Å²	127	102.4 Å²	102.4	68%	0.679	62%	0.615	S	S	*	*			trans	-135.2	102.1	157.3	-145.7	-5.8	0	0	0	108.4	S223 N227	S223-N225 PolarHBondContact O-N 2.87Å; N225-N227 PolarHBondContact O-N 3.41Å
226	Q	25.5	Very low	29.3	Very low	178 Å²	178	98.9 Å²	98.9	83%	0.832	59%	0.59	S	S	*	*			trans	-71.3	103.6	174.4	-63.7	-176.2	7.5	0	0	107.6
227	N	27	Very low	29.8	Very low	138 Å²	138	94.1 Å²	94.1	74%	0.738	56%	0.561	S	S	*	*			trans	-159.3	100.1	157	-89.1	-32.8	0	0	0	109.6	N225 T229	N225-N227 PolarHBondContact O-N 3.41Å; N227-T229 PolarHBondContact O-N 2.78Å
228	S	25.6	Very low	30.1	Very low	124 Å²	124	91.2 Å²	91.2	87%	0.867	53%	0.53	S	S	*	.			trans	24.6	83.8	160.4	67.6	0	0	0	0	117.5
229	T	29.1	Very low	30.3	Very low	100 Å²	100	89.4 Å²	89.4	61%	0.613	52%	0.522	S	S	*	.			trans	-103.1	117.3	153.3	27.4	0	0	0	0	107.1	N227 S231	N227-T229 PolarHBondContact O-N 2.78Å; T229-S231 PolarHBondContact O-N 2.81Å
230	Y	30.3	Very low	30.4	Very low	124 Å²	124	84.5 Å²	84.5	49%	0.486	49%	0.493	S	S	.	.			trans	-52.7	110.3	167.7	-144.2	-96	0	0	0	106.5	S232 S234 S238	Y230-S232 PolarHBondContact O-N 2.99Å; Y230-S234 WeakPolarHBondContact CD1-OG 3.42Å; Y230-S234 WeakPolarHBondContact CE1-OG 3.14Å; Y230-S238 PolarHBondContact OH-OG 3.42Å; Y230-S238 VanDerWaalsContact OH-OG 3.05Å
231	S	32.1	Very low	30.7	Very low	14 Å²	14	83.1 Å²	83.1	10%	0.098	47%	0.47	C	S	.	.			trans	-58.9	115	170.7	-86.3	0	0	0	0	105.9	T229 I233 S234 E549	T229-S231 PolarHBondContact O-N 2.81Å; S231-I233 PolarHBondContact O-N 3.09Å; S231-S234 WeakPolarHBondContact O-CB 3.43Å; S231-S234 PolarHBondContact O-N 3.01Å; S231-S234 PolarHBondContact O-OG 2.77Å; S231-E549 WeakPolarHBondContact CB-OE2 3.49Å; S231-E549 PolarHBondContact OG-OE1 2.78Å; S231-E549 PolarHBondContact OG-OE2 3.06Å
232	S	37.5	Very low	30.7	Very low	39 Å²	39	81.2 Å²	81.2	27%	0.273	46%	0.46	S	S	.	.	H	α-helix	trans	-52.2	-24.3	-174	-49.8	0	0	0	0	112.1	Y230 S235 I236 H452	Y230-S232 PolarHBondContact O-N 2.99Å; S232-S235 VanDerWaalsContact C-OG 3.28Å; S232-S235 WeakPolarHBondContact CA-OG 3.29Å; S232-S235 PolarHBondContact O-N 2.78Å; S232-S235 PolarHBondContact O-OG 2.83Å; S232-I236 PolarHBondContact O-N 3.37Å; S232-H452 VanDerWaalsContact CB-CE1 3.49Å; S232-H452 WeakPolarHBondContact CB-CE1 3.42Å; S232-H452 PolarHBondContact O-CE1 2.91Å
233	I	38.9	Very low	30.7	Very low	3 Å²	3	82.9 Å²	82.9	2%	0.015	46%	0.457	C	S	.	.	H	α-helix	trans	-71.1	-28.8	176.3	-57.3	-179.5	0	0	0	112.6	S231 S235 I236 I448 H500 F550	S231-I233 PolarHBondContact O-N 3.09Å; I233-S235 VanDerWaalsContact C-N 3.31Å; I233-S235 PolarHBondContact O-N 2.95Å; I233-I236 HydrophobicContact CB-CD1 4.18Å; I233-I236 HydrophobicContact CG1-CD1 4.15Å; I233-I236 HydrophobicContact CG2-CD1 4.09Å; I233-I236 VanDerWaalsContact O-CB 3.3Å; I233-I236 WeakPolarHBondContact O-CB 3.29Å; I233-I236 PolarHBondContact O-N 2.91Å; I233-I448 HydrophobicContact CD1-CG2 3.18Å; I233-I448 HydrophobicContact CG1-CG2 4.5Å; I233-H500 WeakPolarHBondContact CG2-CE1 3.43Å; I233-F550 HydrophobicContact CD1-CB 3.69Å
234	S	34.6	Very low	30.5	Very low	6 Å²	6	82 Å²	82	4%	0.042	45%	0.451	C	S	.	.	H	α-helix	trans	-67.1	-32.8	171.2	67.1	0	0	0	0	111.6	Y230 S231 V237 S238	Y230-S234 WeakPolarHBondContact CD1-OG 3.42Å; Y230-S234 WeakPolarHBondContact CE1-OG 3.14Å; S231-S234 WeakPolarHBondContact O-CB 3.43Å; S231-S234 PolarHBondContact O-N 3.01Å; S231-S234 PolarHBondContact O-OG 2.77Å; S234-V237 PolarHBondContact O-N 2.81Å; S234-S238 WeakPolarHBondContact O-CB 3.4Å; S234-S238 PolarHBondContact O-N 2.99Å; S234-S238 PolarHBondContact O-OG 3.31Å
235	S	35.5	Very low	30.8	Very low	34 Å²	34	82.9 Å²	82.9	24%	0.238	45%	0.454	C	S	.	.	H	α-helix	trans	-67.9	-32.2	172.6	28.1	0	0	0	0	114.1	S232 I233 V237 S238 D239	S232-S235 VanDerWaalsContact C-OG 3.28Å; S232-S235 WeakPolarHBondContact CA-OG 3.29Å; S232-S235 PolarHBondContact O-N 2.78Å; S232-S235 PolarHBondContact O-OG 2.83Å; I233-S235 VanDerWaalsContact C-N 3.31Å; I233-S235 PolarHBondContact O-N 2.95Å; S235-V237 PolarHBondContact O-N 3.21Å; S235-S238 PolarHBondContact O-N 3.47Å; S235-D239 PolarHBondContact O-N 2.93Å
236	I	37.3	Very low	30.7	Very low	18 Å²	18	82.5 Å²	82.5	9%	0.092	46%	0.461	C	S	.	.	H	α-helix	trans	-49.4	-32.4	173.9	-64.7	179.1	0	0	0	111.5	S232 I233 H452 P453 I460	S232-I236 PolarHBondContact O-N 3.37Å; I233-I236 HydrophobicContact CB-CD1 4.18Å; I233-I236 HydrophobicContact CG1-CD1 4.15Å; I233-I236 HydrophobicContact CG2-CD1 4.09Å; I233-I236 VanDerWaalsContact O-CB 3.3Å; I233-I236 WeakPolarHBondContact O-CB 3.29Å; I233-I236 PolarHBondContact O-N 2.91Å; I236-H452 WeakPolarHBondContact CD1-CE1 3.44Å; I236-H452 WeakPolarHBondContact CD1-NE2 3.2Å; I236-H452 WeakPolarHBondContact CG1-CE1 3.23Å; I236-H452 WeakPolarHBondContact CG1-NE2 3.44Å; I236-P453 HydrophobicContact CD1-CG 3.83Å; I236-P453 WeakPolarHBondContact CD1-O 3.47Å; I236-I460 HydrophobicContact CG2-CD1 4.25Å
237	V	36.3	Very low	31	Very low	39 Å²	39	80.9 Å²	80.9	24%	0.236	46%	0.464	C	S	.	.	H	α-helix	trans	-113.6	-9	-179.3	-157.8	0	0	0	0	113.2	S234 S235 T501	S234-V237 PolarHBondContact O-N 2.81Å; S235-V237 PolarHBondContact O-N 3.21Å; V237-T501 HydrophobicContact CB-CG2 3.49Å; V237-T501 VanDerWaalsContact CB-CG2 3.49Å; V237-T501 HydrophobicContact CG1-CG2 3.62Å; V237-T501 HydrophobicContact CG2-CG2 3.58Å; V237-T501 WeakPolarHBondContact CG2-OG1 3.43Å
238	S	30.9	Very low	31	Very low	8 Å²	8	77.7 Å²	77.7	6%	0.056	46%	0.463	C	S	.	.	H	α-helix	trans	-76	-33.5	176.2	-57.6	0	0	0	0	112.8	Y230 S234 S235 F240 T241	Y230-S238 PolarHBondContact OH-OG 3.42Å; Y230-S238 VanDerWaalsContact OH-OG 3.05Å; S234-S238 WeakPolarHBondContact O-CB 3.4Å; S234-S238 PolarHBondContact O-N 2.99Å; S234-S238 PolarHBondContact O-OG 3.31Å; S235-S238 PolarHBondContact O-N 3.47Å; S238-F240 PolarHBondContact O-N 2.85Å; S238-T241 PolarHBondContact O-N 2.86Å; S238-T241 PolarHBondContact O-OG1 2.88Å
239	D	30.1	Very low	31.3	Very low	135 Å²	135	81.6 Å²	81.6	72%	0.722	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-7.9	179.9	-69.9	-11.5	0	0	0	112.8	S235	S235-D239 PolarHBondContact O-N 2.93Å
240	F	31.5	Very low	31.5	Very low	62 Å²	62	82.1 Å²	82.1	27%	0.272	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-4.2	170.5	-87.5	-88	0	0	0	114.6	S30 F31 S238	S30-F240 WeakPolarHBondContact CB-O 3.44Å; S30-F240 PolarHBondContact OG-O 2.87Å; F31-F240 AromaticContact CD1-CE1 3.95Å; F31-F240 HydrophobicContact CD1-CE1 3.95Å; F31-F240 HydrophobicContact CD1-CZ 4.3Å; F31-F240 AromaticContact CD2-CD1 3.84Å; F31-F240 HydrophobicContact CD2-CD1 3.84Å; F31-F240 AromaticContact CD2-CE1 3.71Å; F31-F240 HydrophobicContact CD2-CE1 3.71Å; F31-F240 AromaticContact CE1-CE1 3.7Å; F31-F240 HydrophobicContact CE1-CE1 3.7Å; F31-F240 AromaticContact CE1-CZ 3.64Å; F31-F240 HydrophobicContact CE1-CZ 3.64Å; F31-F240 AromaticContact CE2-CD1 3.67Å; F31-F240 HydrophobicContact CE2-CD1 3.67Å; F31-F240 AromaticContact CE2-CE1 3.56Å; F31-F240 HydrophobicContact CE2-CE1 3.56Å; F31-F240 HydrophobicContact CE2-CE2 4.49Å; F31-F240 HydrophobicContact CE2-CG 4.19Å; F31-F240 HydrophobicContact CE2-CZ 4.01Å; F31-F240 HydrophobicContact CG-CD1 4.5Å; F31-F240 AromaticContact CG-CE1 3.97Å; F31-F240 HydrophobicContact CG-CE1 3.97Å; F31-F240 HydrophobicContact CZ-CD1 4.08Å; F31-F240 AromaticContact CZ-CE1 3.56Å; F31-F240 HydrophobicContact CZ-CE1 3.56Å; F31-F240 HydrophobicContact CZ-CE2 4.04Å; F31-F240 AromaticContact CZ-CZ 3.53Å; F31-F240 HydrophobicContact CZ-CZ 3.53Å; S238-F240 PolarHBondContact O-N 2.85Å
241	T	29.5	Very low	31.5	Very low	45 Å²	45	82.8 Å²	82.8	28%	0.276	49%	0.489	S	S	.	.	S	Bend	trans	-118.9	4.2	-166	59.4	0	0	0	0	116.7	S238 M511	S238-T241 PolarHBondContact O-N 2.86Å; S238-T241 PolarHBondContact O-OG1 2.88Å; T241-M511 HydrophobicContact CG2-CE 4.31Å
242	S	26.9	Very low	31.5	Very low	90 Å²	90	86 Å²	86	63%	0.629	52%	0.524	S	S	*	.	S	Bend	trans	-111.8	39.3	-174.8	72.8	0	0	0	0	115.6
243	M	24.9	Very low	31.2	Very low	164 Å²	164	88.6 Å²	88.6	81%	0.808	54%	0.543	S	S	*	.			trans	-152.4	83.5	168.9	-74.8	-83.7	76.6	0	0	110.3
244	S	25.8	Very low	31	Very low	90 Å²	90	96 Å²	96	63%	0.629	58%	0.577	S	S	*	*			trans	-174.4	69.9	164.7	30.4	0	0	0	0	113.5
245	H	30.1	Very low	30.9	Very low	202 Å²	202	104.9 Å²	104.9	94%	0.935	62%	0.615	S	S	*	*			trans	-152.7	80.9	155.2	-74.3	-57.2	0	0	0	111.1
246	S	26.5	Very low	30.6	Very low	119 Å²	119	107.9 Å²	107.9	83%	0.832	64%	0.636	S	S	*	*			trans	-153.6	69.6	155.3	65.9	0	0	0	0	110.1
247	V	30.9	Very low	30.3	Very low	145 Å²	145	114 Å²	114	88%	0.879	67%	0.668	S	S	*	*			trans	-100.5	116.2	159.8	177.7	0	0	0	0	106.5
248	G	26.1	Very low	30.1	Very low	70 Å²	70	119.9 Å²	119.9	72%	0.722	70%	0.695	S	S	*	*			trans	-59	134.9	-178.9	0	0	0	0	0	112.1
249	K	32.2	Very low	29.9	Very low	207 Å²	207	125.7 Å²	125.7	90%	0.9	73%	0.725	S	S	*	*			trans	-128.8	121.1	147.9	-76.4	-172.5	176.7	178.3	0	108
250	S	33.7	Very low	30	Very low	111 Å²	111	125.8 Å²	125.8	78%	0.776	73%	0.731	S	S	*	*			trans	-59.7	126.6	-179.5	45	0	0	0	0	112.7
251	T	30.6	Very low	29.6	Very low	137 Å²	137	131.5 Å²	131.5	84%	0.84	76%	0.756	S	S	*	*			trans	13.1	121.8	140.7	57.9	0	0	0	0	119.6
252	G	31.9	Very low	29.5	Very low	81 Å²	81	140.1 Å²	140.1	84%	0.835	79%	0.785	S	S	*	*			trans	-132.6	108.6	142.5	0	0	0	0	0	108.2
253	S	31.7	Very low	29.5	Very low	94 Å²	94	140.4 Å²	140.4	66%	0.657	78%	0.783	S	S	*	*			trans	-64.9	146.9	178.3	-175.8	0	0	0	0	111.3
254	H	33.4	Very low	29.8	Very low	160 Å²	160	139.2 Å²	139.2	74%	0.741	79%	0.788	S	S	*	*				-178.5	129.6	110.3	-98.8	-72.1	0	0	0	113.1
255	K	34.1	Very low	29.9	Very low	191 Å²	191	140.8 Å²	140.8	83%	0.83	79%	0.794	S	S	*	*			trans	75.7	138.5	154	-59.1	168.4	-176.4	-178.3	0	117
256	S	28.6	Very low	29.7	Very low	98 Å²	98	140 Å²	140	69%	0.685	79%	0.792	S	S	*	*			cis	-178.2	154.2	-17.2	-165.4	0	0	0	0	105.7
257	L	31.4	Very low	30	Very low	145 Å²	145	144.6 Å²	144.6	76%	0.759	80%	0.798	S	S	*	*			trans	90.9	97.4	156.8	-52.8	-179.4	0	0	0	120.7
258	M	31.8	Very low	29.9	Very low	163 Å²	163	148.6 Å²	148.6	80%	0.803	80%	0.797	S	S	*	*				84	95.7	117.3	-68.2	-66.1	163.4	0	0	120.6
259	N	27	Very low	30	Very low	130 Å²	130	156.4 Å²	156.4	70%	0.695	81%	0.805	S	S	*	*				19.1	125.2	126.8	-79.3	-5.9	0	0	0	118.8
260	T	30.7	Very low	30	Very low	138 Å²	138	153.7 Å²	153.7	85%	0.847	80%	0.8	S	S	*	*				-162.8	132.4	104	-8.7	0	0	0	0	112.2
261	F	24.9	Very low	29.8	Very low	182 Å²	182	159.1 Å²	159.1	80%	0.798	80%	0.804	S	S	*	*			trans	-61.9	139	165.3	-73.2	-99.9	0	0	0	110.7
262	Y	27.2	Very low	29.8	Very low	225 Å²	225	160.4 Å²	160.4	88%	0.882	80%	0.804	S	S	*	*			trans	-162.5	149.7	143.1	-107.1	-75.7	0	0	0	112.6
263	T	26.4	Very low	29.8	Very low	97 Å²	97	162 Å²	162	60%	0.595	80%	0.8	S	S	*	*			trans	-62.1	156.7	-174	52.5	0	0	0	0	114.8	T265	T263-T265 PolarHBondContact O-N 3.38Å
264	P	31.6	Very low	29.8	Very low	138 Å²	138	164.5 Å²	164.5	90%	0.896	80%	0.804	S	S	*	*			trans	-89.1	97.6	167.7	31.9	-24.5	0	0	0	109.9
265	T	28	Very low	29.7	Very low	124 Å²	124	162.5 Å²	162.5	76%	0.761	81%	0.806	S	S	*	*			trans	-87.4	148.3	156.7	49.4	0	0	0	0	110.1	T263	T263-T265 PolarHBondContact O-N 3.38Å
266	M	25.5	Very low	29.4	Very low	184 Å²	184	159 Å²	159	91%	0.906	81%	0.805	S	S	*	*			trans	-48.2	133	-179	-61.5	171	64.2	0	0	113.7
267	K	33	Very low	29.6	Very low	216 Å²	216	162.4 Å²	162.4	94%	0.939	81%	0.81	S	S	*	*			trans	-158.5	139.8	147.1	-108	165.9	-169.1	-178.7	0	112.3
268	R	28.3	Very low	29.7	Very low	230 Å²	230	165.7 Å²	165.7	87%	0.868	82%	0.818	S	S	*	*			trans	-67.7	164	-175.6	-70.5	168.7	157.9	171.7	-6.6	113.6
269	R	28.6	Very low	29.5	Very low	233 Å²	233	166 Å²	166	88%	0.879	82%	0.823	S	S	*	*			trans	78.5	128.6	162.3	-71.6	174.7	175.2	157.9	-4.1	113.7
270	N	32.4	Very low	29.7	Very low	150 Å²	150	167.8 Å²	167.8	80%	0.802	83%	0.832	S	S	*	*			cis	-142.2	139.6	33.6	-85.6	-31.7	0	0	0	112.3
271	R	28.1	Very low	29.7	Very low	226 Å²	226	166.1 Å²	166.1	85%	0.853	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-71.8	130.9	161	-93.5	-173.5	175.8	-160.5	-1	108.4
272	L	32.1	Very low	30	Very low	164 Å²	164	164.2 Å²	164.2	86%	0.859	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-88.7	145.9	154.5	-76.3	161.7	0	0	0	108.8
273	P	30.7	Very low	30.3	Very low	114 Å²	114	159.2 Å²	159.2	74%	0.74	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-83.1	152.4	-170.1	6.7	11.7	0	0	0	112.2
274	I	31.1	Very low	30.8	Very low	147 Å²	147	160.2 Å²	160.2	75%	0.754	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-66.6	131.1	167.3	-63.1	162.2	0	0	0	108	S276	I274-S276 PolarHBondContact O-N 3.31Å
275	P	31.6	Very low	30.7	Very low	118 Å²	118	157.1 Å²	157.1	77%	0.766	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-64.7	127.8	172.8	-16.1	29.5	0	0	0	110.2
276	S	28.3	Very low	30.9	Very low	116 Å²	116	157.2 Å²	157.2	81%	0.811	83%	0.834	S	S	*	*			trans	-113.3	98.2	171.2	11.2	0	0	0	0	107.1	I274	I274-S276 PolarHBondContact O-N 3.31Å
277	E	33.7	Very low	31.2	Very low	171 Å²	171	155.5 Å²	155.5	80%	0.799	83%	0.834	S	S	*	*			trans	-139.9	100	171.6	-70.9	-173.6	-177.4	0	0	107.5
278	F	33	Very low	31	Very low	213 Å²	213	151.4 Å²	151.4	93%	0.934	82%	0.821	S	S	*	*			trans	-176	69.7	146.7	-88.9	-62.4	0	0	0	107.4
279	L	27.6	Very low	31.1	Very low	170 Å²	170	151 Å²	151	89%	0.89	82%	0.821	S	S	*	*			trans	-144.8	102.2	160.4	-78.5	179.5	0	0	0	108.7
280	N	30.8	Very low	31.1	Very low	168 Å²	168	149.2 Å²	149.2	90%	0.898	82%	0.82	S	S	*	*			trans	-146.6	134.3	153.6	-83.6	-22.3	0	0	0	102.8
281	S	31.9	Very low	31.2	Very low	102 Å²	102	147.4 Å²	147.4	71%	0.713	82%	0.816	S	S	*	*			cis	-169.1	134.1	13.9	37	0	0	0	0	107.4
282	T	30.4	Very low	31.2	Very low	143 Å²	143	141.8 Å²	141.8	88%	0.877	81%	0.807	S	S	*	*			trans	44.6	109.7	135.3	-30.9	0	0	0	0	119.8
283	S	34.1	Very low	31.2	Very low	119 Å²	119	140 Å²	140	83%	0.832	80%	0.803	S	S	*	*			trans	-173.5	129.1	131.5	175.7	0	0	0	0	110.8
284	S	35	Very low	31.2	Very low	119 Å²	119	145.1 Å²	145.1	83%	0.832	81%	0.808	S	S	*	*			trans	-70.7	154.1	-171.8	46.4	0	0	0	0	116.7
285	G	31.3	Very low	31.3	Very low	73 Å²	73	142.7 Å²	142.7	75%	0.753	80%	0.803	S	S	*	*			trans	141.5	108.3	150.2	0	0	0	0	0	115.1
286	P	30.8	Very low	31.2	Very low	125 Å²	125	142.2 Å²	142.2	81%	0.812	80%	0.803	S	S	*	*			trans	-101.7	134.1	177.8	35.1	-25.2	0	0	0	111.8
287	V	33.2	Very low	31.4	Very low	148 Å²	148	145.6 Å²	145.6	90%	0.897	81%	0.808	S	S	*	*			trans	-141.9	131.3	158.1	-176.2	0	0	0	0	110.4
288	I	27.3	Very low	31.4	Very low	130 Å²	130	143.1 Å²	143.1	67%	0.667	81%	0.805	S	S	*	*			trans	-76.7	145.4	178.8	-63.6	164	0	0	0	109.3
289	Y	31.4	Very low	31.3	Very low	222 Å²	222	140.1 Å²	140.1	87%	0.871	80%	0.799	S	S	*	*				163.8	136.7	124.3	-89.8	-74.4	0	0	0	112.2
290	K	27.7	Very low	31.3	Very low	196 Å²	196	139.3 Å²	139.3	85%	0.852	79%	0.792	S	S	*	*			trans	-79	-167.6	-178.5	-63.5	170.6	154.6	175.9	0	111.8
291	P	34.7	Very low	31.1	Very low	111 Å²	111	141.1 Å²	141.1	72%	0.721	79%	0.788	S	S	*	*				-122.2	-166	-95.4	36.4	-15.1	0	0	0	111.3
292	T	29.5	Very low	30.9	Very low	109 Å²	109	141.4 Å²	141.4	67%	0.669	79%	0.79	S	S	*	*			trans	127.2	136.9	142.1	-52	0	0	0	0	115.7
293	T	31.9	Very low	30.7	Very low	127 Å²	127	143.3 Å²	143.3	78%	0.779	79%	0.789	S	S	*	*			trans	70.8	143.5	157.8	46.1	0	0	0	0	118.4
294	R	30.8	Very low	30.4	Very low	221 Å²	221	145.5 Å²	145.5	83%	0.834	79%	0.79	S	S	*	*			cis	177.1	134.8	-4.9	-173.2	-175.9	173.7	-171.4	-2.9	103.4
295	S	31.9	Very low	30	Very low	95 Å²	95	147.8 Å²	147.8	66%	0.664	79%	0.793	S	S	*	*				145.9	114.1	114.9	-60.1	0	0	0	0	106.7
296	S	30.4	Very low	29.8	Very low	108 Å²	108	154.3 Å²	154.3	76%	0.755	80%	0.801	S	S	*	*				98.6	97.8	85.6	-63.6	0	0	0	0	112.4
297	M	31.3	Very low	29.8	Very low	188 Å²	188	153 Å²	153	93%	0.926	80%	0.795	S	S	*	*			trans	-137.9	104.7	135.6	-78.6	-157.9	75.4	0	0	109
298	T	33.7	Very low	29.7	Very low	119 Å²	119	150.6 Å²	150.6	73%	0.73	78%	0.784	S	S	*	*			trans	-40	125.9	166.9	27.2	0	0	0	0	114.9
299	N	30.6	Very low	29.9	Very low	150 Å²	150	152.6 Å²	152.6	80%	0.802	80%	0.797	S	S	*	*				77.7	110.9	100	-89.2	-0.4	0	0	0	115.3
300	M	28.8	Very low	29.8	Very low	152 Å²	152	149.3 Å²	149.3	75%	0.749	79%	0.789	S	S	*	*	S	Bend		-160.8	130.1	129.2	-86.3	-105.6	-84	0	0	107.9
301	Y	26.6	Very low	29.8	Very low	206 Å²	206	147.5 Å²	147.5	81%	0.808	79%	0.789	S	S	*	*			trans	85.5	73.1	176.1	-48.2	-69.1	0	0	0	118.2
302	S	26.8	Very low	29.7	Very low	108 Å²	108	144.4 Å²	144.4	76%	0.755	77%	0.77	S	S	*	*			trans	-75.2	156.8	144.5	49.8	0	0	0	0	111.2
303	E	27	Very low	30	Very low	184 Å²	184	140.7 Å²	140.7	86%	0.86	75%	0.753	S	S	*	*			trans	98.8	93.1	174.4	-59.3	-174.6	168.9	0	0	115.8
304	L	28.5	Very low	30.3	Very low	165 Å²	165	140 Å²	140	86%	0.864	74%	0.744	S	S	*	*			trans	173.8	62.4	138.4	-89.6	161.8	0	0	0	108.3
305	N	26.3	Very low	30.6	Very low	166 Å²	166	132.5 Å²	132.5	89%	0.888	73%	0.726	S	S	*	*			trans	-136.9	73	167.2	-102.7	-20.6	0	0	0	106.8
306	K	26.8	Very low	31	Very low	210 Å²	210	129.9 Å²	129.9	91%	0.913	71%	0.707	S	S	*	*			trans	179.6	85.2	170.9	-102.9	173.9	-175	-178.6	0	108.3
307	S	30.6	Very low	31.4	Very low	98 Å²	98	129 Å²	129	69%	0.685	69%	0.692	S	S	*	*			trans	-157.8	81.3	162.6	57.6	0	0	0	0	107.8
308	S	32	Very low	31.6	Very low	97 Å²	97	123.5 Å²	123.5	68%	0.678	67%	0.665	S	S	*	*				67.9	84.2	105.9	73.9	0	0	0	0	112.5	Q310	S308-Q310 PolarHBondContact O-N 3.47Å
309	D	30.2	Very low	31.8	Very low	173 Å²	173	120.8 Å²	120.8	93%	0.925	65%	0.651	S	S	*	*			trans	-57.1	77.8	145.2	-69.9	-49.5	0	0	0	108.4
310	Q	29.4	Very low	32.3	Very low	152 Å²	152	117.3 Å²	117.3	71%	0.71	64%	0.638	S	S	*	*			trans	-129.5	52.2	165.9	-73.1	-151.8	8.1	0	0	108.9	S308 S312	S308-Q310 PolarHBondContact O-N 3.47Å; Q310-S312 PolarHBondContact O-N 3.49Å
311	D	28.8	Very low	32.7	Very low	159 Å²	159	113.8 Å²	113.8	85%	0.85	63%	0.626	S	S	*	*			trans	-79.6	73.6	157	-132.7	10.7	0	0	0	107.1	G313	D311-G313 PolarHBondContact O-N 3.38Å; D311-G313 VanDerWaalsContact O-N 3.08Å
312	S	32.1	Very low	33.4	Very low	45 Å²	45	111.2 Å²	111.2	32%	0.315	62%	0.619	S	S	.	*			trans	-83	97.4	-166.2	84.3	0	0	0	0	105.6	Q310 S316	Q310-S312 PolarHBondContact O-N 3.49Å; S312-S316 WeakPolarHBondContact CA-OG 3.27Å; S312-S316 VanDerWaalsContact CB-CB 3.42Å; S312-S316 WeakPolarHBondContact CB-OG 3.13Å; S312-S316 PolarHBondContact O-OG 2.85Å; S312-S316 PolarHBondContact OG-OG 3.29Å
313	G	35.4	Very low	34	Very low	32 Å²	32	116.7 Å²	116.7	33%	0.33	62%	0.623	S	S	.	*			trans	-49.2	161.6	174.8	0	0	0	0	0	111.1	D311 S315 S316	D311-G313 PolarHBondContact O-N 3.38Å; D311-G313 VanDerWaalsContact O-N 3.08Å; G313-S315 PolarHBondContact O-N 3.01Å; G313-S316 PolarHBondContact O-N 3.08Å; G313-S316 PolarHBondContact O-OG 3.03Å
314	L	39	Very low	34.5	Very low	112 Å²	112	112.8 Å²	112.8	59%	0.586	62%	0.616	S	S	*	*	H	α-helix	trans	-38.7	-24.8	-173.5	-64.7	164.1	0	0	0	115.6	L318	L314-L318 VanDerWaalsContact O-CD1 3.26Å; L314-L318 WeakPolarHBondContact O-CD1 3.29Å; L314-L318 VanDerWaalsContact O-CG 3.29Å; L314-L318 WeakPolarHBondContact O-CG 3.31Å
315	S	36.7	Very low	34.8	Very low	64 Å²	64	109.9 Å²	109.9	45%	0.448	61%	0.605	S	S	.	*	H	α-helix	trans	-68.5	-34.6	174.8	-66.1	0	0	0	0	116.5	G313 S319	G313-S315 PolarHBondContact O-N 3.01Å; S315-S319 WeakPolarHBondContact O-CB 3.38Å; S315-S319 PolarHBondContact O-N 2.93Å; S315-S319 PolarHBondContact O-OG 2.99Å
316	S	40.5	Very low	35.3	Very low	40 Å²	40	109.5 Å²	109.5	28%	0.28	60%	0.604	S	S	.	*	H	α-helix	trans	-79.7	-38.1	-171.6	53.5	0	0	0	0	114.3	S312 G313 L318 S319 S320	S312-S316 WeakPolarHBondContact CA-OG 3.27Å; S312-S316 VanDerWaalsContact CB-CB 3.42Å; S312-S316 WeakPolarHBondContact CB-OG 3.13Å; S312-S316 PolarHBondContact O-OG 2.85Å; S312-S316 PolarHBondContact OG-OG 3.29Å; G313-S316 PolarHBondContact O-N 3.08Å; G313-S316 PolarHBondContact O-OG 3.03Å; S316-L318 VanDerWaalsContact C-N 3.3Å; S316-S319 PolarHBondContact O-N 3.45Å; S316-S320 PolarHBondContact O-N 2.86Å; S316-S320 PolarHBondContact O-OG 2.86Å
317	Q	38.1	Very low	36	Very low	90 Å²	90	105.8 Å²	105.8	42%	0.421	60%	0.598	S	S	.	*	H	α-helix	trans	-69.2	-34.3	174.9	-68.9	-169.7	-15.1	0	0	110.6	S320 T321	Q317-S320 PolarHBondContact O-OG 3.35Å; Q317-T321 PolarHBondContact O-OG1 2.77Å
318	L	35.2	Very low	36.2	Very low	71 Å²	71	110.6 Å²	110.6	37%	0.372	61%	0.61	S	S	.	*	H	α-helix	trans	-70	-44.7	170.8	-66.2	173.9	0	0	0	110.8	L314 S316 S320 T321 F322 L351	L314-L318 VanDerWaalsContact O-CD1 3.26Å; L314-L318 WeakPolarHBondContact O-CD1 3.29Å; L314-L318 VanDerWaalsContact O-CG 3.29Å; L314-L318 WeakPolarHBondContact O-CG 3.31Å; S316-L318 VanDerWaalsContact C-N 3.3Å; L318-S320 PolarHBondContact O-N 2.86Å; L318-T321 PolarHBondContact O-N 2.86Å; L318-F322 WeakPolarHBondContact O-CD2 3.49Å; L318-F322 PolarHBondContact O-N 2.9Å; L318-F322 VanDerWaalsContact O-N 3.16Å; L318-L351 HydrophobicContact CD2-CD1 4.45Å
319	S	38.8	Very low	36.4	Very low	63 Å²	63	111.7 Å²	111.7	44%	0.441	61%	0.613	S	S	.	*	H	α-helix	trans	-67.9	-33.4	-176.5	-62.6	0	0	0	0	114.7	S315 S316 T321 F322 R323	S315-S319 WeakPolarHBondContact O-CB 3.38Å; S315-S319 PolarHBondContact O-N 2.93Å; S315-S319 PolarHBondContact O-OG 2.99Å; S316-S319 PolarHBondContact O-N 3.45Å; S319-T321 VanDerWaalsContact C-N 3.31Å; S319-F322 PolarHBondContact O-N 3.4Å; S319-R323 PolarHBondContact O-N 3.26Å
320	S	39.6	Very low	36.9	Very low	76 Å²	76	112.1 Å²	112.1	53%	0.531	61%	0.609	S	S	.	*	H	α-helix	trans	-69.9	-30.2	175.8	47.4	0	0	0	0	112.3	S316 Q317 L318	S316-S320 PolarHBondContact O-N 2.86Å; S316-S320 PolarHBondContact O-OG 2.86Å; Q317-S320 PolarHBondContact O-OG 3.35Å; L318-S320 PolarHBondContact O-N 2.86Å
321	T	38.5	Very low	37.5	Very low	79 Å²	79	109.8 Å²	109.8	49%	0.485	61%	0.61	S	S	.	*	H	α-helix	trans	-74.4	-33.4	175.3	-50.6	0	0	0	0	111.8	Q317 L318 S319 R323	Q317-T321 PolarHBondContact O-OG1 2.77Å; L318-T321 PolarHBondContact O-N 2.86Å; S319-T321 VanDerWaalsContact C-N 3.31Å; T321-R323 VanDerWaalsContact C-N 3.32Å; T321-R323 PolarHBondContact O-N 2.86Å
322	F	40.7	Very low	38	Very low	151 Å²	151	113.1 Å²	113.1	66%	0.662	61%	0.61	S	S	*	*	H	α-helix	trans	-74.9	-12.9	177.7	-86.3	-74.2	0	0	0	114.8	L318 S319	L318-F322 WeakPolarHBondContact O-CD2 3.49Å; L318-F322 PolarHBondContact O-N 2.9Å; L318-F322 VanDerWaalsContact O-N 3.16Å; S319-F322 PolarHBondContact O-N 3.4Å
323	R	39.1	Very low	38.4	Very low	223 Å²	223	118.3 Å²	118.3	84%	0.842	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	0	-179.8	-75.3	-171.3	180	-148.6	0.2	114.8	S319 T321	S319-R323 PolarHBondContact O-N 3.26Å; T321-R323 VanDerWaalsContact C-N 3.32Å; T321-R323 PolarHBondContact O-N 2.86Å
324	S	38.1	Very low	38.7	Very low	103 Å²	103	125.1 Å²	125.1	72%	0.72	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	10.8	-177	-64.4	0	0	0	0	114.8
325	T	35.2	Very low	39.1	Very low	103 Å²	103	131.2 Å²	131.2	63%	0.632	68%	0.675	S	S	*	*			trans	-141.8	84.7	177.8	51.2	0	0	0	0	109.7
326	D	35.6	Very low	39.4	Very low	159 Å²	159	135.5 Å²	135.5	85%	0.85	69%	0.688	S	S	*	*			trans	-167.6	72.7	161.3	-83.7	-30.8	0	0	0	108.6
327	V	41.5	Very low	39.5	Very low	131 Å²	131	141.4 Å²	141.4	79%	0.794	71%	0.711	S	S	*	*			trans	-133.6	92	160.2	-176.9	0	0	0	0	106.9	T329	V327-T329 PolarHBondContact O-N 3.08Å
328	E	35.4	Very low	39.9	Very low	199 Å²	199	148.2 Å²	148.2	93%	0.93	73%	0.733	S	S	*	*			trans	-67.5	108.7	162.6	-75.1	-177.1	152.8	0	0	107.9
329	T	36.7	Very low	40.3	Very low	121 Å²	121	150.9 Å²	150.9	74%	0.742	75%	0.747	S	S	*	*			trans	-134.9	119.1	158.8	-49	0	0	0	0	107.8	V327	V327-T329 PolarHBondContact O-N 3.08Å
330	Q	40.8	Very low	40.6	Very low	181 Å²	181	154.1 Å²	154.1	85%	0.846	76%	0.759	S	S	*	*			trans	-62.2	150.1	-175.6	-68.1	170.7	-2	0	0	111.9
331	S	41.3	Very low	41.1	Very low	104 Å²	104	155.8 Å²	155.8	73%	0.727	77%	0.766	S	S	*	*			trans	97.3	120.2	153.6	78.7	0	0	0	0	119
332	R	39.4	Very low	41.9	Very low	228 Å²	228	154.4 Å²	154.4	86%	0.86	77%	0.767	S	S	*	*			trans	79	98.4	151.3	-64.9	174.6	171	156.7	-2.6	118.8
333	D	41.9	Very low	43	Very low	154 Å²	154	151.3 Å²	151.3	82%	0.824	76%	0.764	S	S	*	*				150.3	115.4	117.1	-83.1	-20.8	0	0	0	113.3	R335	D333-R335 PolarHBondContact O-N 3.21Å
334	M	41	Very low	44.5	Very low	176 Å²	176	144.3 Å²	144.3	87%	0.867	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	68.3	-179.2	-81.9	-82.2	-69.4	0	0	112.3
335	R	46.5	Very low	46.4	Very low	240 Å²	240	142.2 Å²	142.2	91%	0.906	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.3	1.9	173.1	-80.2	-167	-179.8	178.3	0.6	118.5	D333	D333-R335 PolarHBondContact O-N 3.21Å
336	E	42.5	Very low	48.5	Very low	153 Å²	153	140.9 Å²	140.9	72%	0.715	73%	0.733	S	S	*	*			trans	-106.6	14.3	-174	-69.4	-163.6	151.1	0	0	117.5	R338 N339	E336-R338 PolarHBondContact O-N 2.85Å; E336-N339 PolarHBondContact O-N 2.8Å
337	H	44.7	Very low	50.5	Low	164 Å²	164	139 Å²	139	76%	0.759	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	15.2	-176	-87.6	25.1	0	0	0	117.3
338	R	45.4	Very low	52.6	Low	233 Å²	233	134 Å²	134	88%	0.879	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	-13.7	171.3	-81.6	-175.4	173.6	173.6	-1.6	114.8	E336	E336-R338 PolarHBondContact O-N 2.85Å
339	N	44.6	Very low	55	Low	128 Å²	128	127.8 Å²	127.8	68%	0.684	66%	0.663	S	S	*	*	S	Bend	trans	-93.3	-13.7	-176.5	-72.8	-16.9	0	0	0	114.9	E336 V341	E336-N339 PolarHBondContact O-N 2.8Å; N339-V341 PolarHBondContact O-N 3.06Å
340	L	44.7	Very low	57.4	Low	131 Å²	131	125.5 Å²	125.5	69%	0.686	65%	0.649	S	S	*	*	H	α-helix	trans	-71.1	-28.4	178.3	-98	82.4	0	0	0	113.8	G342 S343	L340-G342 VanDerWaalsContact C-N 3.34Å; L340-G342 PolarHBondContact O-N 2.83Å; L340-S343 PolarHBondContact O-N 3.19Å
341	V	49.5	Very low	59.5	Low	111 Å²	111	119.1 Å²	119.1	67%	0.673	62%	0.62	S	S	*	*	H	α-helix	trans	-70	-32	-177.9	-177.4	0	0	0	0	111.6	N339 S343 S344 A345	N339-V341 PolarHBondContact O-N 3.06Å; V341-S343 VanDerWaalsContact C-N 3.33Å; V341-S343 PolarHBondContact O-N 2.96Å; V341-S344 PolarHBondContact O-N 3.18Å; V341-A345 PolarHBondContact O-N 2.87Å
342	G	54.8	Low	61.7	Low	50 Å²	50	123 Å²	123	52%	0.515	62%	0.619	S	S	.	*	H	α-helix	trans	-66.4	-31.9	176.5	0	0	0	0	0	113.7	L340 S346	L340-G342 VanDerWaalsContact C-N 3.34Å; L340-G342 PolarHBondContact O-N 2.83Å; G342-S346 WeakPolarHBondContact O-CB 3.23Å; G342-S346 PolarHBondContact O-N 3.02Å
343	S	64.1	Low	64	Low	85 Å²	85	116.8 Å²	116.8	59%	0.594	60%	0.599	S	S	*	*	H	α-helix	trans	-70	-36.8	178.6	-167.2	0	0	0	0	112.4	L340 V341 W347	L340-S343 PolarHBondContact O-N 3.19Å; V341-S343 VanDerWaalsContact C-N 3.33Å; V341-S343 PolarHBondContact O-N 2.96Å; S343-W347 WeakPolarHBondContact O-CB 3.35Å; S343-W347 PolarHBondContact O-N 3.5Å
344	S	71.1	Confident	66.1	Low	76 Å²	76	110.5 Å²	110.5	53%	0.531	57%	0.568	S	S	.	*	H	α-helix	trans	-70.3	-42.7	179.3	-176.5	0	0	0	0	112.3	V341 W347 A348	V341-S344 PolarHBondContact O-N 3.18Å; S344-W347 PolarHBondContact O-N 3.22Å; S344-A348 WeakPolarHBondContact O-CB 3.43Å; S344-A348 PolarHBondContact O-N 3.41Å
345	A	77.9	Confident	68.3	Low	59 Å²	59	107.6 Å²	107.6	49%	0.488	55%	0.554	S	S	.	*	H	α-helix	trans	-64.8	-40.1	176.9	0	0	0	0	0	112.5	V341 T349	V341-A345 PolarHBondContact O-N 2.87Å; A345-T349 WeakPolarHBondContact O-CB 3.48Å; A345-T349 PolarHBondContact O-N 3.44Å; A345-T349 PolarHBondContact O-OG1 3.08Å
346	S	78.8	Confident	70.3	Confident	75 Å²	75	102.4 Å²	102.4	52%	0.524	54%	0.538	S	S	.	.	H	α-helix	trans	-64	-45.4	174.6	-179.3	0	0	0	0	112	G342 T349 T350	G342-S346 WeakPolarHBondContact O-CB 3.23Å; G342-S346 PolarHBondContact O-N 3.02Å; S346-T349 PolarHBondContact O-N 3.45Å; S346-T350 WeakPolarHBondContact O-CB 3.36Å; S346-T350 PolarHBondContact O-N 2.89Å; S346-T350 PolarHBondContact O-OG1 3.35Å
347	W	78.3	Confident	72.6	Confident	119 Å²	119	102.7 Å²	102.7	45%	0.451	53%	0.532	S	S	.	.	H	α-helix	trans	-61.1	-47.4	175.3	172.7	82.2	0	0	0	112.2	S343 S344 T349 T350 L351	S343-W347 WeakPolarHBondContact O-CB 3.35Å; S343-W347 PolarHBondContact O-N 3.5Å; S344-W347 PolarHBondContact O-N 3.22Å; W347-T349 VanDerWaalsContact C-N 3.29Å; W347-T349 PolarHBondContact O-N 3.19Å; W347-T350 PolarHBondContact O-N 3.19Å; W347-L351 HydrophobicContact CH2-CD2 3.69Å; W347-L351 HydrophobicContact CZ2-CD2 3.74Å; W347-L351 HydrophobicContact CZ3-CD2 4.3Å; W347-L351 WeakPolarHBondContact O-CB 3.43Å; W347-L351 PolarHBondContact O-N 3.13Å
348	A	84.9	Confident	74.6	Confident	27 Å²	27	97 Å²	97	22%	0.223	51%	0.513	C	S	.	.	H	α-helix	trans	-60.7	-39.8	178.9	0	0	0	0	0	111.7	S344 R352	S344-A348 WeakPolarHBondContact O-CB 3.43Å; S344-A348 PolarHBondContact O-N 3.41Å; A348-R352 WeakPolarHBondContact O-CB 3.47Å; A348-R352 VanDerWaalsContact O-CG 3.22Å; A348-R352 WeakPolarHBondContact O-CG 3.36Å; A348-R352 PolarHBondContact O-N 2.82Å
349	T	86.5	Confident	76.8	Confident	68 Å²	68	89.9 Å²	89.9	42%	0.417	49%	0.493	S	S	.	.	H	α-helix	trans	-64.4	-46.2	175.4	-58	0	0	0	0	111.3	A345 S346 W347 L351 R352 Q353	A345-T349 WeakPolarHBondContact O-CB 3.48Å; A345-T349 PolarHBondContact O-N 3.44Å; A345-T349 PolarHBondContact O-OG1 3.08Å; S346-T349 PolarHBondContact O-N 3.45Å; W347-T349 VanDerWaalsContact C-N 3.29Å; W347-T349 PolarHBondContact O-N 3.19Å; T349-L351 PolarHBondContact O-N 3.02Å; T349-R352 PolarHBondContact O-N 2.91Å; T349-Q353 WeakPolarHBondContact O-CG 3.43Å; T349-Q353 PolarHBondContact O-N 2.96Å
350	T	85.9	Confident	79.2	Confident	74 Å²	74	87 Å²	87	45%	0.454	48%	0.477	S	S	.	.	H	α-helix	trans	-60.7	-44.8	177.4	-57.8	0	0	0	0	111.5	S346 W347 Q353 S354	S346-T350 WeakPolarHBondContact O-CB 3.36Å; S346-T350 PolarHBondContact O-N 2.89Å; S346-T350 PolarHBondContact O-OG1 3.35Å; W347-T350 PolarHBondContact O-N 3.19Å; T350-Q353 PolarHBondContact O-N 2.94Å; T350-S354 WeakPolarHBondContact O-CB 3Å; T350-S354 PolarHBondContact O-N 3.36Å
351	L	85.3	Confident	81.5	Confident	47 Å²	47	86.7 Å²	86.7	25%	0.246	47%	0.471	C	S	.	.	H	α-helix	trans	-62.3	-46.5	177	-175	64.7	0	0	0	111.5	L318 W347 T349 Q353 S354 M355	L318-L351 HydrophobicContact CD2-CD1 4.45Å; W347-L351 HydrophobicContact CH2-CD2 3.69Å; W347-L351 HydrophobicContact CZ2-CD2 3.74Å; W347-L351 HydrophobicContact CZ3-CD2 4.3Å; W347-L351 WeakPolarHBondContact O-CB 3.43Å; W347-L351 PolarHBondContact O-N 3.13Å; T349-L351 PolarHBondContact O-N 3.02Å; L351-Q353 VanDerWaalsContact C-N 3.34Å; L351-Q353 PolarHBondContact O-N 2.89Å; L351-S354 PolarHBondContact O-N 2.84Å; L351-M355 HydrophobicContact CD1-CE 3.78Å; L351-M355 HydrophobicContact CD2-CE 3.84Å; L351-M355 HydrophobicContact CG-CE 3.68Å; L351-M355 HydrophobicContact CG-SD 4.17Å; L351-M355 WeakPolarHBondContact O-CB 3.37Å; L351-M355 WeakPolarHBondContact O-CG 3.26Å; L351-M355 PolarHBondContact O-N 3.37Å
352	R	87.6	Confident	83.6	Confident	186 Å²	186	84.3 Å²	84.3	70%	0.702	45%	0.449	S	S	*	.	H	α-helix	trans	-59.4	-44	176.4	-75.4	172.9	-174.4	-177	2.5	111.8	A348 T349 K356	A348-R352 WeakPolarHBondContact O-CB 3.47Å; A348-R352 VanDerWaalsContact O-CG 3.22Å; A348-R352 WeakPolarHBondContact O-CG 3.36Å; A348-R352 PolarHBondContact O-N 2.82Å; T349-R352 PolarHBondContact O-N 2.91Å; R352-K356 VanDerWaalsContact O-CB 3.3Å; R352-K356 WeakPolarHBondContact O-CB 3.29Å; R352-K356 PolarHBondContact O-N 3.36Å
353	Q	88.9	Confident	85.6	Confident	96 Å²	96	82.2 Å²	82.2	45%	0.449	43%	0.427	S	S	.	.	H	α-helix	trans	-64.5	-41.9	176.7	-71.7	178.1	9.5	0	0	111.8	T349 T350 L351 K356 R357	T349-Q353 WeakPolarHBondContact O-CG 3.43Å; T349-Q353 PolarHBondContact O-N 2.96Å; T350-Q353 PolarHBondContact O-N 2.94Å; L351-Q353 VanDerWaalsContact C-N 3.34Å; L351-Q353 PolarHBondContact O-N 2.89Å; Q353-K356 PolarHBondContact O-N 3.32Å; Q353-R357 VanDerWaalsContact O-CG 3.31Å; Q353-R357 WeakPolarHBondContact O-CG 3.28Å; Q353-R357 PolarHBondContact O-N 3.39Å
354	S	84.6	Confident	87.1	Confident	23 Å²	23	80.1 Å²	80.1	16%	0.161	41%	0.408	C	S	.	.	H	α-helix	trans	-63.9	-46.8	177.2	-173.4	0	0	0	0	111.8	T350 L351 K356 R357 A358	T350-S354 WeakPolarHBondContact O-CB 3Å; T350-S354 PolarHBondContact O-N 3.36Å; L351-S354 PolarHBondContact O-N 2.84Å; S354-K356 VanDerWaalsContact C-N 3.34Å; S354-K356 PolarHBondContact O-N 3.45Å; S354-R357 PolarHBondContact O-N 2.86Å; S354-A358 PolarHBondContact O-N 3.24Å
355	M	87.6	Confident	88.4	Confident	115 Å²	115	78 Å²	78	57%	0.567	39%	0.391	S	S	*	.	H	α-helix	trans	-59.9	-43	173.9	-72	177.2	176	0	0	111.8	L351 R357 A358 N359	L351-M355 HydrophobicContact CD1-CE 3.78Å; L351-M355 HydrophobicContact CD2-CE 3.84Å; L351-M355 HydrophobicContact CG-CE 3.68Å; L351-M355 HydrophobicContact CG-SD 4.17Å; L351-M355 WeakPolarHBondContact O-CB 3.37Å; L351-M355 WeakPolarHBondContact O-CG 3.26Å; L351-M355 PolarHBondContact O-N 3.37Å; M355-R357 PolarHBondContact O-N 2.91Å; M355-A358 PolarHBondContact O-N 3.47Å; M355-N359 WeakPolarHBondContact O-CB 3.29Å; M355-N359 PolarHBondContact O-N 3.24Å
356	K	89.7	Confident	89.3	Confident	131 Å²	131	75.2 Å²	75.2	57%	0.57	37%	0.368	S	S	*	.	H	α-helix	trans	-61.4	-43.8	176.2	-174.1	177.5	-179.6	-179.8	0	111.6	R352 Q353 S354 N359 N360	R352-K356 VanDerWaalsContact O-CB 3.3Å; R352-K356 WeakPolarHBondContact O-CB 3.29Å; R352-K356 PolarHBondContact O-N 3.36Å; Q353-K356 PolarHBondContact O-N 3.32Å; S354-K356 VanDerWaalsContact C-N 3.34Å; S354-K356 PolarHBondContact O-N 3.45Å; K356-N359 PolarHBondContact O-N 2.93Å; K356-N360 WeakPolarHBondContact O-CB 3.29Å; K356-N360 PolarHBondContact O-N 3.43Å; K356-N360 PolarHBondContact O-OD1 3.07Å
357	R	89.7	Confident	90.2	Very high	158 Å²	158	71.6 Å²	71.6	60%	0.596	34%	0.343	S	S	*	.	H	α-helix	trans	-62.4	-45	175.9	-72.4	172.5	-174.7	163.6	3.5	111.7	Q353 S354 M355 N360 K361	Q353-R357 VanDerWaalsContact O-CG 3.31Å; Q353-R357 WeakPolarHBondContact O-CG 3.28Å; Q353-R357 PolarHBondContact O-N 3.39Å; S354-R357 PolarHBondContact O-N 2.86Å; M355-R357 PolarHBondContact O-N 2.91Å; R357-N360 PolarHBondContact O-N 3.48Å; R357-K361 WeakPolarHBondContact O-CB 3.46Å; R357-K361 PolarHBondContact O-N 3.1Å
358	A	88	Confident	91.1	Very high	44 Å²	44	66 Å²	66	36%	0.364	32%	0.321	S	S	.	.	H	α-helix	trans	-62.9	-42.4	177.4	0	0	0	0	0	111.9	S354 M355 K361 R362	S354-A358 PolarHBondContact O-N 3.24Å; M355-A358 PolarHBondContact O-N 3.47Å; A358-K361 PolarHBondContact O-N 3.46Å; A358-R362 PolarHBondContact O-N 3.33Å
359	N	91.2	Very high	91.7	Very high	84 Å²	84	64.7 Å²	64.7	45%	0.449	31%	0.311	S	S	.	.	H	α-helix	trans	-64.4	-48.4	176.3	-166.8	63.9	0	0	0	111.6	M355 K356 K361 R362 T363	M355-N359 WeakPolarHBondContact O-CB 3.29Å; M355-N359 PolarHBondContact O-N 3.24Å; K356-N359 PolarHBondContact O-N 2.93Å; N359-K361 VanDerWaalsContact C-N 3.27Å; N359-K361 PolarHBondContact O-N 2.79Å; N359-R362 WeakPolarHBondContact O-CB 3.44Å; N359-R362 PolarHBondContact O-N 3.01Å; N359-R362 VanDerWaalsContact O-N 3.09Å; N359-T363 PolarHBondContact O-N 3.5Å; N359-T363 PolarHBondContact O-OG1 2.91Å; N359-T363 VanDerWaalsContact O-OG1 3.06Å
360	N	93.4	Very high	92.3	Very high	68 Å²	68	61.7 Å²	61.7	36%	0.364	29%	0.292	S	S	.	.	H	α-helix	trans	-59.3	-39.4	177	-72.9	6.9	0	0	0	111.8	K356 R357 T363 L364 I387	K356-N360 WeakPolarHBondContact O-CB 3.29Å; K356-N360 PolarHBondContact O-N 3.43Å; K356-N360 PolarHBondContact O-OD1 3.07Å; R357-N360 PolarHBondContact O-N 3.48Å; N360-T363 PolarHBondContact O-N 2.77Å; N360-L364 VanDerWaalsContact O-CB 3.23Å; N360-L364 WeakPolarHBondContact O-CB 3.17Å; N360-L364 PolarHBondContact O-N 3.12Å; N360-I387 HydrophobicContact CB-CD1 4.03Å
361	K	93.2	Very high	92.8	Very high	125 Å²	125	58.1 Å²	58.1	54%	0.543	27%	0.271	S	S	.	.	H	α-helix	trans	-63.2	-45.5	174.2	-175.3	174.2	-178.7	173.6	0	111.4	R357 A358 N359 L364 L365	R357-K361 WeakPolarHBondContact O-CB 3.46Å; R357-K361 PolarHBondContact O-N 3.1Å; A358-K361 PolarHBondContact O-N 3.46Å; N359-K361 VanDerWaalsContact C-N 3.27Å; N359-K361 PolarHBondContact O-N 2.79Å; K361-L364 PolarHBondContact O-N 3.43Å; K361-L365 HydrophobicContact CG-CD1 4.18Å; K361-L365 VanDerWaalsContact O-CG 3.26Å; K361-L365 WeakPolarHBondContact O-CG 3.29Å; K361-L365 PolarHBondContact O-N 3.18Å
362	R	94.4	Very high	93.4	Very high	60 Å²	60	56.2 Å²	56.2	23%	0.226	26%	0.26	C	S	.	.	H	α-helix	trans	-57.5	-50.7	175.4	175.6	-172.3	173.8	146.6	10.1	111.1	A358 N359 L364 L365 A366 A748 E751 E752	A358-R362 PolarHBondContact O-N 3.33Å; N359-R362 WeakPolarHBondContact O-CB 3.44Å; N359-R362 PolarHBondContact O-N 3.01Å; N359-R362 VanDerWaalsContact O-N 3.09Å; R362-L364 PolarHBondContact O-N 3.49Å; R362-L365 PolarHBondContact O-N 3.42Å; R362-A366 WeakPolarHBondContact O-CB 3.38Å; R362-A366 PolarHBondContact O-N 3.32Å; R362-A748 PolarHBondContact NE-O 3.13Å; R362-A748 VanDerWaalsContact NE-O 3.07Å; R362-A748 PolarHBondContact NH2-O 3.37Å; R362-E751 IonicContact NH2-OE2 3.16Å; R362-E751 PolarHBondContact NH2-OE2 2.93Å; R362-E752 HydrophobicContact CG-CB 4.43Å; R362-E752 IonicContact CZ-OE2 3.48Å; R362-E752 IonicContact NE-OE2 3.82Å; R362-E752 PolarHBondContact NE-OE2 3.16Å; R362-E752 VanDerWaalsContact NE-OE2 3.11Å; R362-E752 IonicContact NH2-OE2 3.04Å
363	T	95.9	Very high	93.8	Very high	7 Å²	7	51.5 Å²	51.5	4%	0.043	24%	0.243	C	C	.	.	H	α-helix	trans	-61.7	-42.8	178.4	-54.4	0	0	0	0	111.7	N359 N360 L365 A366 G367 Y381 N385 I387	N359-T363 PolarHBondContact O-N 3.5Å; N359-T363 PolarHBondContact O-OG1 2.91Å; N359-T363 VanDerWaalsContact O-OG1 3.06Å; N360-T363 PolarHBondContact O-N 2.77Å; T363-L365 PolarHBondContact O-N 2.96Å; T363-A366 PolarHBondContact O-N 2.64Å; T363-G367 PolarHBondContact O-N 3.22Å; T363-Y381 HydrophobicContact CG2-CE1 3.81Å; T363-Y381 WeakPolarHBondContact O-CE1 3.26Å; T363-N385 HydrophobicContact CG2-CB 3.5Å; T363-I387 HydrophobicContact CG2-CD1 4.21Å; T363-I387 HydrophobicContact CG2-CG1 3.68Å
364	L	97	Very high	94.2	Very high	40 Å²	40	50.2 Å²	50.2	21%	0.209	24%	0.239	C	C	.	.	H	α-helix	trans	-58.6	-49.4	175.3	173.4	64.3	0	0	0	111.5	N360 K361 R362 G367 C368 L382 I387 F398	N360-L364 VanDerWaalsContact O-CB 3.23Å; N360-L364 WeakPolarHBondContact O-CB 3.17Å; N360-L364 PolarHBondContact O-N 3.12Å; K361-L364 PolarHBondContact O-N 3.43Å; R362-L364 PolarHBondContact O-N 3.49Å; L364-G367 PolarHBondContact O-N 3.37Å; L364-C368 PolarHBondContact O-N 3.33Å; L364-C368 PolarHBondContact O-SG 3.02Å; L364-L382 HydrophobicContact CD1-CD2 4.23Å; L364-I387 HydrophobicContact CB-CG2 4.22Å; L364-I387 HydrophobicContact CD1-CG2 3.9Å; L364-F398 HydrophobicContact CD1-CE2 3.82Å; L364-F398 HydrophobicContact CD1-CZ 4.48Å
365	L	97	Very high	94.7	Very high	32 Å²	32	49.5 Å²	49.5	17%	0.168	23%	0.234	C	C	.	.	H	α-helix	trans	-65.8	-40.7	-179.1	-65.2	175.3	0	0	0	111.8	K361 R362 T363 G367 C368 T369 E749	K361-L365 HydrophobicContact CG-CD1 4.18Å; K361-L365 VanDerWaalsContact O-CG 3.26Å; K361-L365 WeakPolarHBondContact O-CG 3.29Å; K361-L365 PolarHBondContact O-N 3.18Å; R362-L365 PolarHBondContact O-N 3.42Å; T363-L365 PolarHBondContact O-N 2.96Å; L365-G367 VanDerWaalsContact C-N 3.35Å; L365-C368 PolarHBondContact O-N 2.86Å; L365-T369 PolarHBondContact O-N 3.04Å; L365-T369 PolarHBondContact O-OG1 3.23Å; L365-E749 HydrophobicContact CB-CG 4.38Å
366	A	97.2	Very high	95.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.7	-44	172.4	0	0	0	0	0	111.4	R362 T363 C368 T369 L370 Y381 E749 E752 L753	R362-A366 WeakPolarHBondContact O-CB 3.38Å; R362-A366 PolarHBondContact O-N 3.32Å; T363-A366 PolarHBondContact O-N 2.64Å; A366-C368 PolarHBondContact O-N 2.88Å; A366-T369 PolarHBondContact O-N 2.9Å; A366-L370 WeakPolarHBondContact O-CG 3.38Å; A366-L370 PolarHBondContact O-N 2.79Å; A366-Y381 HydrophobicContact CB-CE1 4.3Å; A366-E749 HydrophobicContact CB-CG 4.45Å; A366-E752 HydrophobicContact CB-CB 4.05Å; A366-E752 HydrophobicContact CB-CG 3.6Å; A366-L753 HydrophobicContact CB-CD2 3.94Å; A366-L753 HydrophobicContact CB-CG 4.26Å; A366-L753 WeakPolarHBondContact O-CD2 3.38Å
367	G	97.8	Very high	95.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62	-39.2	175.1	0	0	0	0	0	113.3	T363 L364 L365 L370 F371	T363-G367 PolarHBondContact O-N 3.22Å; L364-G367 PolarHBondContact O-N 3.37Å; L365-G367 VanDerWaalsContact C-N 3.35Å; G367-L370 PolarHBondContact O-N 3.19Å; G367-F371 WeakPolarHBondContact O-CB 3.46Å; G367-F371 PolarHBondContact O-N 3.36Å
368	C	98.1	Very high	95.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.8	-42.6	172.2	-65.7	0	0	0	0	111.7	L364 L365 A366 L370 F371 N372 N404 L405	L364-C368 PolarHBondContact O-N 3.33Å; L364-C368 PolarHBondContact O-SG 3.02Å; L365-C368 PolarHBondContact O-N 2.86Å; A366-C368 PolarHBondContact O-N 2.88Å; C368-L370 VanDerWaalsContact C-N 3.34Å; C368-L370 PolarHBondContact O-N 2.78Å; C368-F371 WeakPolarHBondContact O-CB 3.33Å; C368-F371 PolarHBondContact O-N 3.38Å; C368-N372 WeakPolarHBondContact O-CB 3.48Å; C368-N372 PolarHBondContact O-N 3.09Å; C368-N372 PolarHBondContact O-ND2 3.49Å; C368-N404 HydrophobicContact CB-CB 4.03Å; C368-L405 HydrophobicContact CB-CD2 4.06Å
369	T	97.7	Very high	96.2	Very high	1 Å²	1	32 Å²	32	1%	0.006	16%	0.155	C	C	.	.	H	α-helix	trans	-64.4	-38.5	176.5	-64.9	0	0	0	0	111.5	L365 A366 R373 H580 N615 E749 L753	L365-T369 PolarHBondContact O-N 3.04Å; L365-T369 PolarHBondContact O-OG1 3.23Å; A366-T369 PolarHBondContact O-N 2.9Å; T369-R373 WeakPolarHBondContact O-CG 3.18Å; T369-R373 PolarHBondContact O-N 3.44Å; T369-H580 HydrophobicContact CG2-CB 4.12Å; T369-N615 PolarHBondContact OG1-ND2 2.87Å; T369-E749 PolarHBondContact OG1-OE1 2.89Å; T369-L753 HydrophobicContact CG2-CD1 3.49Å; T369-L753 VanDerWaalsContact CG2-CD1 3.49Å
370	L	97.5	Very high	96.5	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.021	15%	0.15	C	C	.	.	H	α-helix	trans	-64.6	-46.5	171.2	-71.6	171.3	0	0	0	111.5	A366 G367 C368 N372 R373 N374 E377 Y381 L753	A366-L370 WeakPolarHBondContact O-CG 3.38Å; A366-L370 PolarHBondContact O-N 2.79Å; G367-L370 PolarHBondContact O-N 3.19Å; C368-L370 VanDerWaalsContact C-N 3.34Å; C368-L370 PolarHBondContact O-N 2.78Å; L370-N372 VanDerWaalsContact C-N 3.31Å; L370-N372 PolarHBondContact O-N 2.93Å; L370-R373 WeakPolarHBondContact O-CA 3.23Å; L370-R373 WeakPolarHBondContact O-CB 3.35Å; L370-R373 PolarHBondContact O-N 2.82Å; L370-N374 CarbonylContact O-C 3.57Å; L370-N374 PolarHBondContact O-N 3.49Å; L370-N374 VanDerWaalsContact O-O 3.05Å; L370-E377 HydrophobicContact CD2-CG 4.45Å; L370-Y381 HydrophobicContact CD1-CD1 3.86Å; L370-Y381 HydrophobicContact CD1-CD2 3.62Å; L370-Y381 HydrophobicContact CD1-CE1 4.39Å; L370-Y381 HydrophobicContact CD1-CE2 4.19Å; L370-Y381 HydrophobicContact CD1-CG 3.43Å; L370-Y381 VanDerWaalsContact CD1-CG 3.43Å; L370-L753 HydrophobicContact CD1-CD2 4.06Å; L370-L753 HydrophobicContact CD2-CD2 3.76Å; L370-L753 HydrophobicContact CG-CD2 3.52Å
371	F	98.3	Very high	96.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-56.9	-46.3	178	-178.3	-87.5	0	0	0	111.6	G367 C368 R373 N374 P375 V379 L399 L405 A409 I410 Y413	G367-F371 WeakPolarHBondContact O-CB 3.46Å; G367-F371 PolarHBondContact O-N 3.36Å; C368-F371 WeakPolarHBondContact O-CB 3.33Å; C368-F371 PolarHBondContact O-N 3.38Å; F371-R373 PolarHBondContact O-N 2.94Å; F371-N374 CarbonylContact O-C 3.6Å; F371-N374 VanDerWaalsContact O-C 3.26Å; F371-N374 PolarHBondContact O-N 2.9Å; F371-P375 HydrophobicContact CD2-CB 4.03Å; F371-P375 WeakPolarHBondContact CD2-O 3.42Å; F371-P375 HydrophobicContact CE2-CB 3.72Å; F371-P375 HydrophobicContact CZ-CB 3.99Å; F371-P375 WeakPolarHBondContact O-CA 3.5Å; F371-P375 WeakPolarHBondContact O-CD 3.4Å; F371-P375 VanDerWaalsContact O-N 3.13Å; F371-V379 HydrophobicContact CD2-CG2 3.87Å; F371-V379 HydrophobicContact CE2-CG2 3.84Å; F371-L399 HydrophobicContact CD2-CD2 4.49Å; F371-L399 HydrophobicContact CE1-CD2 4.22Å; F371-L399 HydrophobicContact CE2-CD2 3.58Å; F371-L399 HydrophobicContact CZ-CD2 3.42Å; F371-L399 VanDerWaalsContact CZ-CD2 3.42Å; F371-L405 HydrophobicContact CB-CD2 4.23Å; F371-L405 HydrophobicContact CD1-CD2 3.67Å; F371-L405 HydrophobicContact CD1-CG 4.48Å; F371-L405 HydrophobicContact CE1-CD1 4.4Å; F371-L405 HydrophobicContact CE1-CD2 4.27Å; F371-L405 HydrophobicContact CG-CD2 4.04Å; F371-A409 HydrophobicContact CD1-CB 3.88Å; F371-A409 HydrophobicContact CE1-CB 3.68Å; F371-I410 HydrophobicContact CE1-CG1 3.88Å; F371-I410 HydrophobicContact CZ-CG1 4.14Å; F371-Y413 HydrophobicContact CE2-CD2 4.44Å; F371-Y413 HydrophobicContact CE2-CG 4.34Å
372	N	97.6	Very high	96.9	Very high	6 Å²	6	22.2 Å²	22.2	3%	0.032	11%	0.108	C	C	.	.	H	α-helix	trans	-67.8	-16.1	179.1	-69	-18.7	0	0	0	113.5	C368 L370 N404 N406 R579 H580	C368-N372 WeakPolarHBondContact O-CB 3.48Å; C368-N372 PolarHBondContact O-N 3.09Å; C368-N372 PolarHBondContact O-ND2 3.49Å; L370-N372 VanDerWaalsContact C-N 3.31Å; L370-N372 PolarHBondContact O-N 2.93Å; N372-N404 PolarHBondContact ND2-O 2.78Å; N372-N406 HydrophobicContact CB-CB 4.4Å; N372-N406 WeakPolarHBondContact OD1-CB 3.37Å; N372-N406 PolarHBondContact OD1-N 3.44Å; N372-R579 WeakPolarHBondContact CB-O 3.43Å; N372-R579 WeakPolarHBondContact O-CB 3.45Å; N372-H580 HydrophobicContact CB-CB 3.84Å
373	R	95.8	Very high	97	Very high	87 Å²	87	21 Å²	21	33%	0.328	11%	0.106	S	C	.	.	H	α-helix	trans	-89.9	-52.1	170.6	-72.8	179.4	173	168.4	0.9	111.7	T369 L370 F371 H580	T369-R373 WeakPolarHBondContact O-CG 3.18Å; T369-R373 PolarHBondContact O-N 3.44Å; L370-R373 WeakPolarHBondContact O-CA 3.23Å; L370-R373 WeakPolarHBondContact O-CB 3.35Å; L370-R373 PolarHBondContact O-N 2.82Å; F371-R373 PolarHBondContact O-N 2.94Å; R373-H580 HydrophobicContact CG-CB 3.57Å; R373-H580 PolarHBondContact NE-CD2 2.79Å; R373-H580 PolarHBondContact NE-NE2 3.28Å; R373-H580 PolarHBondContact NH2-CD2 2.98Å; R373-H580 VanDerWaalsContact NH2-CD2 3.28Å; R373-H580 PolarHBondContact NH2-NE2 3.43Å
374	N	96.2	Very high	96.9	Very high	69 Å²	69	27.3 Å²	27.3	37%	0.369	13%	0.129	S	C	.	.			trans	-143.7	108.2	179.1	-179.3	-26.1	0	0	0	108.4	L370 F371 V376 E377 G378	L370-N374 CarbonylContact O-C 3.57Å; L370-N374 PolarHBondContact O-N 3.49Å; L370-N374 VanDerWaalsContact O-O 3.05Å; F371-N374 CarbonylContact O-C 3.6Å; F371-N374 VanDerWaalsContact O-C 3.26Å; F371-N374 PolarHBondContact O-N 2.9Å; N374-V376 VanDerWaalsContact C-N 3.32Å; N374-V376 PolarHBondContact O-N 2.86Å; N374-V376 PolarHBondContact OD1-N 3.39Å; N374-E377 HydrophobicContact CB-CB 3.96Å; N374-E377 PolarHBondContact O-N 2.86Å; N374-E377 PolarHBondContact OD1-N 3.33Å; N374-G378 PolarHBondContact O-N 3.08Å
375	P	96.7	Very high	96.8	Very high	9 Å²	9	28.3 Å²	28.3	6%	0.058	14%	0.135	C	C	.	.	H	α-helix	trans	-59	-38.7	-173.5	-27.4	34.6	0	0	0	114.6	F371 G378 V379 A409 E412 Y413	F371-P375 HydrophobicContact CD2-CB 4.03Å; F371-P375 WeakPolarHBondContact CD2-O 3.42Å; F371-P375 HydrophobicContact CE2-CB 3.72Å; F371-P375 HydrophobicContact CZ-CB 3.99Å; F371-P375 WeakPolarHBondContact O-CA 3.5Å; F371-P375 WeakPolarHBondContact O-CD 3.4Å; F371-P375 VanDerWaalsContact O-N 3.13Å; P375-G378 PolarHBondContact O-N 3.27Å; P375-V379 WeakPolarHBondContact O-CG2 3.34Å; P375-V379 PolarHBondContact O-N 3.4Å; P375-A409 HydrophobicContact CG-CB 4.24Å; P375-A409 WeakPolarHBondContact CG-O 3.3Å; P375-E412 HydrophobicContact CG-CB 4.06Å; P375-Y413 HydrophobicContact CB-CD2 3.82Å; P375-Y413 HydrophobicContact CB-CG 4.17Å
376	V	96.1	Very high	96.7	Very high	43 Å²	43	36.9 Å²	36.9	26%	0.261	17%	0.166	S	C	.	.	H	α-helix	trans	-64.7	-44.1	179.4	-178.7	0	0	0	0	110.9	N374 N380 L416	N374-V376 VanDerWaalsContact C-N 3.32Å; N374-V376 PolarHBondContact O-N 2.86Å; N374-V376 PolarHBondContact OD1-N 3.39Å; V376-N380 WeakPolarHBondContact O-CB 3.41Å; V376-N380 VanDerWaalsContact O-CG 3.23Å; V376-N380 PolarHBondContact O-N 2.93Å; V376-N380 PolarHBondContact O-ND2 3.36Å; V376-L416 HydrophobicContact CG2-CD1 3.23Å; V376-L416 HydrophobicContact CG2-CD2 4.42Å; V376-L416 HydrophobicContact CG2-CG 4.45Å
377	E	95.6	Very high	96.6	Very high	36 Å²	36	39.3 Å²	39.3	17%	0.168	18%	0.178	C	C	.	.	H	α-helix	trans	-64	-42.9	178.1	-177.7	166.7	-165.9	0	0	111.5	L370 N374 N380 Y381 H756 K760	L370-E377 HydrophobicContact CD2-CG 4.45Å; N374-E377 HydrophobicContact CB-CB 3.96Å; N374-E377 PolarHBondContact O-N 2.86Å; N374-E377 PolarHBondContact OD1-N 3.33Å; E377-N380 PolarHBondContact O-N 3.3Å; E377-Y381 WeakPolarHBondContact O-CB 3.46Å; E377-Y381 PolarHBondContact O-N 3.44Å; E377-H756 IonicContact OE1-CD2 2.86Å; E377-H756 IonicContact OE1-NE2 3.18Å; E377-K760 IonicContact OE1-NZ 2.74Å; E377-K760 PolarHBondContact OE1-NZ 3.02Å; E377-K760 IonicContact OE2-NZ 3.04Å; E377-K760 PolarHBondContact OE2-NZ 2.62Å
378	G	97.1	Very high	96.5	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.3	-48.6	176.8	0	0	0	0	0	113.5	N374 P375 N380 Y381 L382	N374-G378 PolarHBondContact O-N 3.08Å; P375-G378 PolarHBondContact O-N 3.27Å; G378-N380 PolarHBondContact O-N 2.97Å; G378-Y381 PolarHBondContact O-N 3.36Å; G378-L382 WeakPolarHBondContact O-CG 3.41Å; G378-L382 PolarHBondContact O-N 3.11Å
379	V	97.4	Very high	96.3	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.012	21%	0.21	C	C	.	.	H	α-helix	trans	-60.2	-47.1	176.9	173	0	0	0	0	110.6	F371 P375 Y381 L382 I383 I395 Y413	F371-V379 HydrophobicContact CD2-CG2 3.87Å; F371-V379 HydrophobicContact CE2-CG2 3.84Å; P375-V379 WeakPolarHBondContact O-CG2 3.34Å; P375-V379 PolarHBondContact O-N 3.4Å; V379-Y381 VanDerWaalsContact C-N 3.34Å; V379-Y381 PolarHBondContact O-N 2.97Å; V379-L382 PolarHBondContact O-N 3.43Å; V379-I383 HydrophobicContact CG1-CD1 3.67Å; V379-I383 HydrophobicContact CG1-CG1 4.42Å; V379-I383 VanDerWaalsContact O-CG1 3.31Å; V379-I383 WeakPolarHBondContact O-CG1 3.49Å; V379-I383 PolarHBondContact O-N 2.81Å; V379-I395 HydrophobicContact CG1-CD1 4.22Å; V379-Y413 HydrophobicContact CB-CE2 4.38Å; V379-Y413 HydrophobicContact CG2-CD2 4.32Å; V379-Y413 HydrophobicContact CG2-CE2 3.79Å
380	N	96.4	Very high	96.1	Very high	64 Å²	64	49.1 Å²	49.1	34%	0.342	24%	0.236	S	C	.	.	H	α-helix	trans	-61.7	-40.9	178.5	-74.5	-24.9	0	0	0	112.5	V376 E377 G378 I383 R384	V376-N380 WeakPolarHBondContact O-CB 3.41Å; V376-N380 VanDerWaalsContact O-CG 3.23Å; V376-N380 PolarHBondContact O-N 2.93Å; V376-N380 PolarHBondContact O-ND2 3.36Å; E377-N380 PolarHBondContact O-N 3.3Å; G378-N380 PolarHBondContact O-N 2.97Å; N380-I383 PolarHBondContact O-N 3.01Å; N380-R384 WeakPolarHBondContact O-CB 3.22Å; N380-R384 WeakPolarHBondContact O-CG 3.41Å; N380-R384 PolarHBondContact O-N 2.86Å
381	Y	97.2	Very high	96	Very high	6 Å²	6	51.6 Å²	51.6	2%	0.024	25%	0.25	C	C	.	.	H	α-helix	trans	-63.2	-45	176.8	174.8	-89.7	0	0	0	111.6	T363 A366 L370 E377 G378 V379 I383 R384 N385 E752 H756	T363-Y381 HydrophobicContact CG2-CE1 3.81Å; T363-Y381 WeakPolarHBondContact O-CE1 3.26Å; A366-Y381 HydrophobicContact CB-CE1 4.3Å; L370-Y381 HydrophobicContact CD1-CD1 3.86Å; L370-Y381 HydrophobicContact CD1-CD2 3.62Å; L370-Y381 HydrophobicContact CD1-CE1 4.39Å; L370-Y381 HydrophobicContact CD1-CE2 4.19Å; L370-Y381 HydrophobicContact CD1-CG 3.43Å; L370-Y381 VanDerWaalsContact CD1-CG 3.43Å; E377-Y381 WeakPolarHBondContact O-CB 3.46Å; E377-Y381 PolarHBondContact O-N 3.44Å; G378-Y381 PolarHBondContact O-N 3.36Å; V379-Y381 VanDerWaalsContact C-N 3.34Å; V379-Y381 PolarHBondContact O-N 2.97Å; Y381-I383 VanDerWaalsContact C-N 3.32Å; Y381-I383 PolarHBondContact O-N 3.45Å; Y381-R384 PolarHBondContact O-N 3.41Å; Y381-N385 WeakPolarHBondContact CD2-ND2 3.41Å; Y381-N385 WeakPolarHBondContact CE2-ND2 3.37Å; Y381-N385 VanDerWaalsContact CZ-ND2 3.3Å; Y381-N385 PolarHBondContact O-N 3.07Å; Y381-N385 VanDerWaalsContact O-N 3.1Å; Y381-N385 PolarHBondContact O-ND2 2.99Å; Y381-E752 WeakPolarHBondContact OH-CG 3.21Å; Y381-E752 PolarHBondContact OH-OE1 3.07Å; Y381-H756 HydrophobicContact CD2-CB 4.41Å; Y381-H756 AromaticContact CD2-CD2 3.97Å; Y381-H756 AromaticContact CD2-CE1 3.66Å; Y381-H756 AromaticContact CD2-CG 3.7Å; Y381-H756 AromaticContact CD2-ND1 3.49Å; Y381-H756 WeakPolarHBondContact CD2-ND1 3.49Å; Y381-H756 AromaticContact CD2-NE2 3.95Å; Y381-H756 HydrophobicContact CE2-CB 4.09Å; Y381-H756 AromaticContact CE2-CG 3.87Å; Y381-H756 AromaticContact CE2-ND1 3.84Å
382	L	97.2	Very high	96	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.9	-38.3	178.6	-70.4	167.8	0	0	0	112.2	L364 G378 V379 Y386 I387 L388 F398	L364-L382 HydrophobicContact CD1-CD2 4.23Å; G378-L382 WeakPolarHBondContact O-CG 3.41Å; G378-L382 PolarHBondContact O-N 3.11Å; V379-L382 PolarHBondContact O-N 3.43Å; L382-Y386 PolarHBondContact O-N 3.14Å; L382-I387 HydrophobicContact CD2-CB 4.04Å; L382-I387 HydrophobicContact CD2-CG2 3.85Å; L382-I387 PolarHBondContact O-N 3.4Å; L382-L388 HydrophobicContact CB-CB 3.8Å; L382-L388 HydrophobicContact CB-CD2 4.35Å; L382-L388 HydrophobicContact CD1-CD2 4.41Å; L382-L388 PolarHBondContact O-N 3.44Å; L382-F398 HydrophobicContact CD1-CD1 4.48Å; L382-F398 HydrophobicContact CD1-CE1 3.59Å; L382-F398 HydrophobicContact CD1-CE2 4.26Å; L382-F398 HydrophobicContact CD1-CZ 3.46Å; L382-F398 VanDerWaalsContact CD1-CZ 3.46Å
383	I	96.5	Very high	96	Very high	36 Å²	36	56 Å²	56	19%	0.185	27%	0.274	C	S	.	.	H	α-helix	trans	-65.9	-48.3	175.5	-68	168	0	0	0	111.2	V379 N380 Y381 N385 Y386 L388 I395	V379-I383 HydrophobicContact CG1-CD1 3.67Å; V379-I383 HydrophobicContact CG1-CG1 4.42Å; V379-I383 VanDerWaalsContact O-CG1 3.31Å; V379-I383 WeakPolarHBondContact O-CG1 3.49Å; V379-I383 PolarHBondContact O-N 2.81Å; N380-I383 PolarHBondContact O-N 3.01Å; Y381-I383 VanDerWaalsContact C-N 3.32Å; Y381-I383 PolarHBondContact O-N 3.45Å; I383-N385 PolarHBondContact O-N 2.76Å; I383-Y386 PolarHBondContact O-N 3.15Å; I383-L388 WeakPolarHBondContact CA-O 3.15Å; I383-L388 HydrophobicContact CG1-CB 4.45Å; I383-I395 HydrophobicContact CD1-CD1 4.34Å
384	R	95.6	Very high	96.1	Very high	139 Å²	139	55.6 Å²	55.6	53%	0.525	28%	0.275	S	S	.	.	H	α-helix	trans	-60.5	-31.9	179.9	-74.1	173	-166.4	-175.3	2.8	113	N380 Y381 Y386	N380-R384 WeakPolarHBondContact O-CB 3.22Å; N380-R384 WeakPolarHBondContact O-CG 3.41Å; N380-R384 PolarHBondContact O-N 2.86Å; Y381-R384 PolarHBondContact O-N 3.41Å; R384-Y386 VanDerWaalsContact C-N 3.33Å
385	N	94.8	Very high	96.2	Very high	61 Å²	61	52.3 Å²	52.3	33%	0.326	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	11.3	178.5	-68.6	-74.9	0	0	0	113.7	T363 Y381 I383 I387	T363-N385 HydrophobicContact CG2-CB 3.5Å; Y381-N385 WeakPolarHBondContact CD2-ND2 3.41Å; Y381-N385 WeakPolarHBondContact CE2-ND2 3.37Å; Y381-N385 VanDerWaalsContact CZ-ND2 3.3Å; Y381-N385 PolarHBondContact O-N 3.07Å; Y381-N385 VanDerWaalsContact O-N 3.1Å; Y381-N385 PolarHBondContact O-ND2 2.99Å; I383-N385 PolarHBondContact O-N 2.76Å; N385-I387 HydrophobicContact CB-CG1 4.21Å; N385-I387 PolarHBondContact O-N 3.37Å
386	Y	94.5	Very high	96.3	Very high	212 Å²	212	51.9 Å²	51.9	83%	0.831	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	22.8	178.5	-50	-82.5	0	0	0	114.3	L382 I383 R384	L382-Y386 PolarHBondContact O-N 3.14Å; I383-Y386 PolarHBondContact O-N 3.15Å; R384-Y386 VanDerWaalsContact C-N 3.33Å
387	I	95	Very high	96.3	Very high	50 Å²	50	52.7 Å²	52.7	26%	0.256	26%	0.255	S	S	.	.	S	Bend	trans	-81.3	-33.7	172.6	-58.8	-59.7	0	0	0	109.9	N360 T363 L364 L382 N385	N360-I387 HydrophobicContact CB-CD1 4.03Å; T363-I387 HydrophobicContact CG2-CD1 4.21Å; T363-I387 HydrophobicContact CG2-CG1 3.68Å; L364-I387 HydrophobicContact CB-CG2 4.22Å; L364-I387 HydrophobicContact CD1-CG2 3.9Å; L382-I387 HydrophobicContact CD2-CB 4.04Å; L382-I387 HydrophobicContact CD2-CG2 3.85Å; L382-I387 PolarHBondContact O-N 3.4Å; N385-I387 HydrophobicContact CB-CG1 4.21Å; N385-I387 PolarHBondContact O-N 3.37Å
388	L	94.9	Very high	96.4	Very high	15 Å²	15	52.2 Å²	52.2	8%	0.079	25%	0.253	C	S	.	.	S	Bend	trans	-127.3	138.6	179.9	-171.2	59.5	0	0	0	110	L382 I383 I395 F398	L382-L388 HydrophobicContact CB-CB 3.8Å; L382-L388 HydrophobicContact CB-CD2 4.35Å; L382-L388 HydrophobicContact CD1-CD2 4.41Å; L382-L388 PolarHBondContact O-N 3.44Å; I383-L388 WeakPolarHBondContact CA-O 3.15Å; I383-L388 HydrophobicContact CG1-CB 4.45Å; L388-I395 HydrophobicContact CD2-CB 4.42Å; L388-I395 HydrophobicContact CD2-CG1 3.89Å; L388-I395 HydrophobicContact CD2-CG2 4.41Å; L388-I395 HydrophobicContact CG-CG1 4.13Å; L388-F398 HydrophobicContact CD1-CB 3.68Å; L388-F398 HydrophobicContact CD1-CG 4.11Å; L388-F398 HydrophobicContact CD2-CB 4.34Å; L388-F398 HydrophobicContact CD2-CD1 3.89Å; L388-F398 HydrophobicContact CD2-CE1 4.48Å; L388-F398 HydrophobicContact CD2-CG 4.14Å
389	L	94.3	Very high	96.4	Very high	113 Å²	113	52.2 Å²	52.2	59%	0.592	25%	0.253	S	S	*	.			trans	-80.4	146.9	173.2	-63.2	176.4	0	0	0	110	D391 K394	L389-D391 HydrophobicContact CB-CB 4.45Å; L389-D391 PolarHBondContact O-N 3.03Å; L389-K394 HydrophobicContact CB-CB 4.28Å; L389-K394 HydrophobicContact CB-CG 4.23Å; L389-K394 HydrophobicContact CD1-CG 4.26Å
390	S	93.5	Very high	96.4	Very high	79 Å²	79	53.2 Å²	53.2	55%	0.552	26%	0.258	S	S	*	.	S	Bend	trans	-75.3	36.6	175.1	-172	0	0	0	0	113
391	D	96.2	Very high	96.3	Very high	57 Å²	57	55.5 Å²	55.5	31%	0.305	27%	0.266	S	S	.	.			trans	-105.1	125.4	178.5	173.8	7.7	0	0	0	109.1	L389 I393 K394 I395	L389-D391 HydrophobicContact CB-CB 4.45Å; L389-D391 PolarHBondContact O-N 3.03Å; D391-I393 PolarHBondContact O-N 2.89Å; D391-I393 VanDerWaalsContact O-N 3.13Å; D391-I393 PolarHBondContact OD1-N 3.43Å; D391-K394 HydrophobicContact CB-CB 4.18Å; D391-K394 HydrophobicContact CB-CG 3.89Å; D391-K394 PolarHBondContact O-N 3Å; D391-I395 WeakPolarHBondContact O-CG1 3.1Å; D391-I395 PolarHBondContact O-N 2.63Å
392	P	97.5	Very high	96.3	Very high	28 Å²	28	56.6 Å²	56.6	18%	0.182	27%	0.272	C	S	.	.	H	α-helix	trans	-48.9	-38.2	178.5	-27.4	32	0	0	0	114.8	A396 L421 K424 V425 E428	P392-A396 VanDerWaalsContact O-CB 3.32Å; P392-A396 WeakPolarHBondContact O-CB 3.37Å; P392-A396 PolarHBondContact O-N 3.24Å; P392-L421 HydrophobicContact CG-CD1 3.92Å; P392-K424 HydrophobicContact CB-CB 3.96Å; P392-K424 HydrophobicContact CG-CB 3.89Å; P392-K424 HydrophobicContact CG-CD 4.22Å; P392-V425 HydrophobicContact CB-CG2 4.13Å; P392-E428 HydrophobicContact CB-CG 4.07Å
393	I	97.8	Very high	96.1	Very high	70 Å²	70	60.8 Å²	60.8	36%	0.359	30%	0.298	S	S	.	.	H	α-helix	trans	-67.7	-45.3	-179.3	-61.7	172.7	0	0	0	110.2	D391 A396 Q397 E428	D391-I393 PolarHBondContact O-N 2.89Å; D391-I393 VanDerWaalsContact O-N 3.13Å; D391-I393 PolarHBondContact OD1-N 3.43Å; I393-A396 PolarHBondContact O-N 3.5Å; I393-Q397 WeakPolarHBondContact O-CG 3.28Å; I393-Q397 PolarHBondContact O-N 2.98Å; I393-E428 HydrophobicContact CG1-CG 3.93Å
394	K	97.5	Very high	96.1	Very high	78 Å²	78	60.4 Å²	60.4	34%	0.339	30%	0.297	S	S	.	.	H	α-helix	trans	-66.7	-39.1	179.7	-60.3	-62.6	-178.6	-177.2	0	111.5	L389 D391 Q397 F398	L389-K394 HydrophobicContact CB-CB 4.28Å; L389-K394 HydrophobicContact CB-CG 4.23Å; L389-K394 HydrophobicContact CD1-CG 4.26Å; D391-K394 HydrophobicContact CB-CB 4.18Å; D391-K394 HydrophobicContact CB-CG 3.89Å; D391-K394 PolarHBondContact O-N 3Å; K394-Q397 PolarHBondContact O-N 2.75Å; K394-F398 WeakPolarHBondContact O-CB 3.25Å; K394-F398 PolarHBondContact O-N 3.43Å
395	I	98.2	Very high	96.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.1	-43.3	174.1	-58.7	167.1	0	0	0	110	V379 I383 L388 D391 Q397 F398 L399 L421 V425	V379-I395 HydrophobicContact CG1-CD1 4.22Å; I383-I395 HydrophobicContact CD1-CD1 4.34Å; L388-I395 HydrophobicContact CD2-CB 4.42Å; L388-I395 HydrophobicContact CD2-CG1 3.89Å; L388-I395 HydrophobicContact CD2-CG2 4.41Å; L388-I395 HydrophobicContact CG-CG1 4.13Å; D391-I395 WeakPolarHBondContact O-CG1 3.1Å; D391-I395 PolarHBondContact O-N 2.63Å; I395-Q397 PolarHBondContact O-N 3.22Å; I395-F398 WeakPolarHBondContact O-CB 3.28Å; I395-F398 PolarHBondContact O-N 3.05Å; I395-L399 HydrophobicContact CG2-CD1 4.21Å; I395-L399 HydrophobicContact CG2-CG 4.3Å; I395-L399 VanDerWaalsContact O-CG 3.32Å; I395-L399 WeakPolarHBondContact O-CG 3.16Å; I395-L399 PolarHBondContact O-N 2.8Å; I395-L421 HydrophobicContact CD1-CD1 4.08Å; I395-L421 HydrophobicContact CD1-CD2 3.97Å; I395-L421 HydrophobicContact CD1-CG 4.23Å; I395-V425 HydrophobicContact CB-CG1 4.17Å; I395-V425 HydrophobicContact CB-CG2 3.88Å; I395-V425 HydrophobicContact CD1-CG2 4.07Å; I395-V425 HydrophobicContact CG2-CB 4.49Å; I395-V425 HydrophobicContact CG2-CG1 3.73Å; I395-V425 HydrophobicContact CG2-CG2 3.86Å
396	A	98.2	Very high	96.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.4	-44.5	176.3	0	0	0	0	0	112.4	P392 I393 F398 L399 I400 V425 E428 F429 L432	P392-A396 VanDerWaalsContact O-CB 3.32Å; P392-A396 WeakPolarHBondContact O-CB 3.37Å; P392-A396 PolarHBondContact O-N 3.24Å; I393-A396 PolarHBondContact O-N 3.5Å; A396-F398 VanDerWaalsContact C-N 3.32Å; A396-F398 PolarHBondContact O-N 2.83Å; A396-L399 PolarHBondContact O-N 2.89Å; A396-I400 WeakPolarHBondContact O-CG2 3.32Å; A396-I400 PolarHBondContact O-N 2.96Å; A396-I400 VanDerWaalsContact O-N 3.09Å; A396-V425 HydrophobicContact CB-CG1 4.23Å; A396-E428 HydrophobicContact CB-CB 3.81Å; A396-F429 HydrophobicContact CB-CB 4.01Å; A396-L432 HydrophobicContact CB-CD1 4.01Å
397	Q	97.7	Very high	96.2	Very high	60 Å²	60	42.5 Å²	42.5	28%	0.28	22%	0.224	S	C	.	.	H	α-helix	trans	-60.6	-39.5	174.1	-73.8	175.7	-15.1	0	0	112.2	I393 K394 I395 I400 H401 L432	I393-Q397 WeakPolarHBondContact O-CG 3.28Å; I393-Q397 PolarHBondContact O-N 2.98Å; K394-Q397 PolarHBondContact O-N 2.75Å; I395-Q397 PolarHBondContact O-N 3.22Å; Q397-I400 WeakPolarHBondContact O-CG2 3.48Å; Q397-H401 WeakPolarHBondContact O-CB 3.36Å; Q397-H401 PolarHBondContact O-CD2 2.86Å; Q397-H401 PolarHBondContact O-N 3.04Å; Q397-L432 HydrophobicContact CG-CD1 3.94Å
398	F	97.4	Very high	96.1	Very high	26 Å²	26	44.3 Å²	44.3	11%	0.114	23%	0.231	C	C	.	.	H	α-helix	trans	-63.8	-48.9	174.1	170.5	-105.1	0	0	0	111.8	L364 L382 L388 K394 I395 A396 I400 H401 E402 L405	L364-F398 HydrophobicContact CD1-CE2 3.82Å; L364-F398 HydrophobicContact CD1-CZ 4.48Å; L382-F398 HydrophobicContact CD1-CD1 4.48Å; L382-F398 HydrophobicContact CD1-CE1 3.59Å; L382-F398 HydrophobicContact CD1-CE2 4.26Å; L382-F398 HydrophobicContact CD1-CZ 3.46Å; L382-F398 VanDerWaalsContact CD1-CZ 3.46Å; L388-F398 HydrophobicContact CD1-CB 3.68Å; L388-F398 HydrophobicContact CD1-CG 4.11Å; L388-F398 HydrophobicContact CD2-CB 4.34Å; L388-F398 HydrophobicContact CD2-CD1 3.89Å; L388-F398 HydrophobicContact CD2-CE1 4.48Å; L388-F398 HydrophobicContact CD2-CG 4.14Å; K394-F398 WeakPolarHBondContact O-CB 3.25Å; K394-F398 PolarHBondContact O-N 3.43Å; I395-F398 WeakPolarHBondContact O-CB 3.28Å; I395-F398 PolarHBondContact O-N 3.05Å; A396-F398 VanDerWaalsContact C-N 3.32Å; A396-F398 PolarHBondContact O-N 2.83Å; F398-I400 VanDerWaalsContact C-N 3.25Å; F398-I400 PolarHBondContact O-N 2.71Å; F398-H401 PolarHBondContact O-N 3.18Å; F398-E402 HydrophobicContact CD2-CB 3.9Å; F398-E402 HydrophobicContact CD2-CG 4.32Å; F398-E402 HydrophobicContact CE2-CB 3.64Å; F398-E402 HydrophobicContact CE2-CG 3.56Å; F398-E402 HydrophobicContact CZ-CB 4.15Å; F398-E402 HydrophobicContact CZ-CG 3.93Å; F398-E402 WeakPolarHBondContact O-CB 3.37Å; F398-E402 PolarHBondContact O-N 2.74Å; F398-L405 HydrophobicContact CD1-CD1 4.22Å; F398-L405 HydrophobicContact CE1-CD1 3.73Å; F398-L405 HydrophobicContact CE1-CD2 4.2Å; F398-L405 HydrophobicContact CE1-CG 4.49Å; F398-L405 HydrophobicContact CZ-CD1 4.04Å; F398-L405 HydrophobicContact CZ-CD2 4.03Å; F398-L405 HydrophobicContact CZ-CG 4.4Å
399	L	97.7	Very high	96.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.8	-28.8	-177.7	-66.6	-179.4	0	0	0	113.4	F371 I395 A396 L405 I410 Y413 F414 V425 F429	F371-L399 HydrophobicContact CD2-CD2 4.49Å; F371-L399 HydrophobicContact CE1-CD2 4.22Å; F371-L399 HydrophobicContact CE2-CD2 3.58Å; F371-L399 HydrophobicContact CZ-CD2 3.42Å; F371-L399 VanDerWaalsContact CZ-CD2 3.42Å; I395-L399 HydrophobicContact CG2-CD1 4.21Å; I395-L399 HydrophobicContact CG2-CG 4.3Å; I395-L399 VanDerWaalsContact O-CG 3.32Å; I395-L399 WeakPolarHBondContact O-CG 3.16Å; I395-L399 PolarHBondContact O-N 2.8Å; A396-L399 PolarHBondContact O-N 2.89Å; L399-L405 HydrophobicContact CD2-CD1 3.71Å; L399-I410 HydrophobicContact CD2-CG1 4.5Å; L399-I410 WeakPolarHBondContact O-CD1 3.42Å; L399-Y413 HydrophobicContact CD1-CD1 3.85Å; L399-Y413 HydrophobicContact CD1-CE1 4.09Å; L399-F414 HydrophobicContact CD1-CE1 3.7Å; L399-F414 HydrophobicContact CD1-CZ 3.85Å; L399-V425 HydrophobicContact CD1-CG1 3.78Å; L399-F429 HydrophobicContact CB-CD2 3.98Å; L399-F429 HydrophobicContact CB-CE2 3.87Å
400	I	95.9	Very high	96.3	Very high	24 Å²	24	38.2 Å²	38.2	12%	0.123	20%	0.199	C	C	.	.	H	α-helix	trans	-84.7	-37.1	-179.9	-162.1	170.6	0	0	0	112.4	A396 Q397 F398 F429 L432 I433	A396-I400 WeakPolarHBondContact O-CG2 3.32Å; A396-I400 PolarHBondContact O-N 2.96Å; A396-I400 VanDerWaalsContact O-N 3.09Å; Q397-I400 WeakPolarHBondContact O-CG2 3.48Å; F398-I400 VanDerWaalsContact C-N 3.25Å; F398-I400 PolarHBondContact O-N 2.71Å; I400-F429 HydrophobicContact CB-CD2 4.18Å; I400-F429 HydrophobicContact CB-CE2 3.66Å; I400-F429 HydrophobicContact CB-CZ 4.32Å; I400-F429 HydrophobicContact CG1-CE2 4.19Å; I400-F429 HydrophobicContact CG1-CZ 4.36Å; I400-L432 HydrophobicContact CD1-CB 4.12Å; I400-L432 HydrophobicContact CG2-CD1 4.09Å; I400-I433 HydrophobicContact CD1-CG1 4.23Å
401	H	95.3	Very high	96.3	Very high	112 Å²	112	34.5 Å²	34.5	52%	0.519	17%	0.174	S	C	.	.	H	α-helix	trans	-98	-23.2	-171.7	-65.1	-51.3	0	0	0	115	Q397 F398 P403	Q397-H401 WeakPolarHBondContact O-CB 3.36Å; Q397-H401 PolarHBondContact O-CD2 2.86Å; Q397-H401 PolarHBondContact O-N 3.04Å; F398-H401 PolarHBondContact O-N 3.18Å; H401-P403 VanDerWaalsContact O-CD 3.25Å; H401-P403 WeakPolarHBondContact O-CD 3.4Å
402	E	95.8	Very high	96.3	Very high	29 Å²	29	34.8 Å²	34.8	14%	0.136	17%	0.173	C	C	.	.			trans	-73.3	114.2	-176.3	-178.4	59.8	-138.2	0	0	111.5	F398 N404 L405	F398-E402 HydrophobicContact CD2-CB 3.9Å; F398-E402 HydrophobicContact CD2-CG 4.32Å; F398-E402 HydrophobicContact CE2-CB 3.64Å; F398-E402 HydrophobicContact CE2-CG 3.56Å; F398-E402 HydrophobicContact CZ-CB 4.15Å; F398-E402 HydrophobicContact CZ-CG 3.93Å; F398-E402 WeakPolarHBondContact O-CB 3.37Å; F398-E402 PolarHBondContact O-N 2.74Å; E402-N404 HydrophobicContact CG-CB 4.36Å; E402-N404 PolarHBondContact O-N 3.27Å; E402-N404 WeakPolarHBondContact OE1-CB 2.78Å; E402-N404 PolarHBondContact OE1-ND2 2.95Å; E402-L405 HydrophobicContact CB-CD1 3.92Å; E402-L405 HydrophobicContact CB-CG 3.93Å; E402-L405 HydrophobicContact CG-CD1 4.28Å; E402-L405 HydrophobicContact CG-CD2 4.28Å; E402-L405 HydrophobicContact CG-CG 3.81Å
403	P	94.3	Very high	96.3	Very high	87 Å²	87	33.6 Å²	33.6	57%	0.565	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-15.9	-174.2	30	-37	0	0	0	113.6	H401 L405 P556	H401-P403 VanDerWaalsContact O-CD 3.25Å; H401-P403 WeakPolarHBondContact O-CD 3.4Å; P403-L405 VanDerWaalsContact C-N 3.31Å; P403-L405 PolarHBondContact O-N 2.7Å; P403-P556 WeakPolarHBondContact O-CG 3.42Å
404	N	95.2	Very high	96.2	Very high	29 Å²	29	30.7 Å²	30.7	16%	0.155	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-0.4	-176.4	-68	-65.1	0	0	0	114.1	C368 N372 E402 R582	C368-N404 HydrophobicContact CB-CB 4.03Å; N372-N404 PolarHBondContact ND2-O 2.78Å; E402-N404 HydrophobicContact CG-CB 4.36Å; E402-N404 PolarHBondContact O-N 3.27Å; E402-N404 WeakPolarHBondContact OE1-CB 2.78Å; E402-N404 PolarHBondContact OE1-ND2 2.95Å; N404-R582 WeakPolarHBondContact OD1-CD 3.44Å; N404-R582 PolarHBondContact OD1-NE 2.98Å; N404-R582 PolarHBondContact OD1-NH1 3.17Å
405	L	97.2	Very high	95.9	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.01	14%	0.136	C	C	.	.	S	Bend	trans	-88.9	141	-179	-58.2	-176.8	0	0	0	111.9	C368 F371 F398 L399 E402 P403 I410 P556	C368-L405 HydrophobicContact CB-CD2 4.06Å; F371-L405 HydrophobicContact CB-CD2 4.23Å; F371-L405 HydrophobicContact CD1-CD2 3.67Å; F371-L405 HydrophobicContact CD1-CG 4.48Å; F371-L405 HydrophobicContact CE1-CD1 4.4Å; F371-L405 HydrophobicContact CE1-CD2 4.27Å; F371-L405 HydrophobicContact CG-CD2 4.04Å; F398-L405 HydrophobicContact CD1-CD1 4.22Å; F398-L405 HydrophobicContact CE1-CD1 3.73Å; F398-L405 HydrophobicContact CE1-CD2 4.2Å; F398-L405 HydrophobicContact CE1-CG 4.49Å; F398-L405 HydrophobicContact CZ-CD1 4.04Å; F398-L405 HydrophobicContact CZ-CD2 4.03Å; F398-L405 HydrophobicContact CZ-CG 4.4Å; L399-L405 HydrophobicContact CD2-CD1 3.71Å; E402-L405 HydrophobicContact CB-CD1 3.92Å; E402-L405 HydrophobicContact CB-CG 3.93Å; E402-L405 HydrophobicContact CG-CD1 4.28Å; E402-L405 HydrophobicContact CG-CD2 4.28Å; E402-L405 HydrophobicContact CG-CG 3.81Å; P403-L405 VanDerWaalsContact C-N 3.31Å; P403-L405 PolarHBondContact O-N 2.7Å; L405-I410 HydrophobicContact CB-CD1 4.08Å; L405-I410 HydrophobicContact CB-CG1 4.33Å; L405-I410 HydrophobicContact CD1-CD1 4.49Å; L405-P556 WeakPolarHBondContact O-CD 3.38Å
406	N	95.7	Very high	95.8	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.021	15%	0.147	C	C	.	.			trans	-83.8	132.8	174.7	-173.9	-89.5	0	0	0	110.5	N372 Q408 A409 I410 D555 S557 R579	N372-N406 HydrophobicContact CB-CB 4.4Å; N372-N406 WeakPolarHBondContact OD1-CB 3.37Å; N372-N406 PolarHBondContact OD1-N 3.44Å; N406-Q408 PolarHBondContact O-N 3.19Å; N406-Q408 WeakPolarHBondContact OD1-CB 3.33Å; N406-Q408 PolarHBondContact OD1-N 3.18Å; N406-A409 HydrophobicContact CB-CB 4.12Å; N406-A409 WeakPolarHBondContact O-CB 3.41Å; N406-A409 PolarHBondContact O-N 2.91Å; N406-A409 PolarHBondContact OD1-N 3.29Å; N406-I410 PolarHBondContact O-N 2.99Å; N406-I410 VanDerWaalsContact O-N 3.09Å; N406-D555 PolarHBondContact ND2-OD2 3.2Å; N406-S557 PolarHBondContact ND2-OG 2.9Å; N406-R579 HydrophobicContact CB-CB 4.27Å
407	R	94.3	Very high	95.5	Very high	29 Å²	29	32.7 Å²	32.7	11%	0.109	17%	0.165	C	C	.	.	H	α-helix	trans	-66.1	-27.1	-174	-62.8	-77.5	175	-154.3	-4.1	112.5	G411 H450 H452 D555	R407-G411 PolarHBondContact O-N 3.33Å; R407-H450 WeakPolarHBondContact CD-O 3.33Å; R407-H450 PolarHBondContact NH1-O 3.38Å; R407-H452 HydrophobicContact CB-CB 4.48Å; R407-H452 PolarHBondContact O-N 3.45Å; R407-D555 HydrophobicContact CB-CB 4.43Å; R407-D555 HydrophobicContact CG-CB 3.58Å; R407-D555 PolarHBondContact N-OD2 2.72Å
408	Q	93.4	Very high	95.3	Very high	88 Å²	88	36.7 Å²	36.7	41%	0.411	19%	0.188	S	C	.	.	H	α-helix	trans	-73.8	-37.7	172.3	-173.2	179.4	1.9	0	0	112.4	N406 I410 G411 E412 H452	N406-Q408 PolarHBondContact O-N 3.19Å; N406-Q408 WeakPolarHBondContact OD1-CB 3.33Å; N406-Q408 PolarHBondContact OD1-N 3.18Å; Q408-I410 VanDerWaalsContact C-N 3.3Å; Q408-I410 PolarHBondContact O-N 2.65Å; Q408-G411 PolarHBondContact O-N 3.37Å; Q408-E412 PolarHBondContact O-N 2.96Å; Q408-H452 HydrophobicContact CB-CB 4.35Å
409	A	96.1	Very high	95.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.9	-37.9	174.6	0	0	0	0	0	111.5	F371 P375 N406 E412 Y413	F371-A409 HydrophobicContact CD1-CB 3.88Å; F371-A409 HydrophobicContact CE1-CB 3.68Å; P375-A409 HydrophobicContact CG-CB 4.24Å; P375-A409 WeakPolarHBondContact CG-O 3.3Å; N406-A409 HydrophobicContact CB-CB 4.12Å; N406-A409 WeakPolarHBondContact O-CB 3.41Å; N406-A409 PolarHBondContact O-N 2.91Å; N406-A409 PolarHBondContact OD1-N 3.29Å; A409-E412 PolarHBondContact O-N 2.99Å; A409-Y413 PolarHBondContact O-N 3.11Å
410	I	97	Very high	95	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.9	-46.8	173	-61.6	172.1	0	0	0	110.9	F371 L399 L405 N406 Q408 E412 Y413 F414 F451	F371-I410 HydrophobicContact CE1-CG1 3.88Å; F371-I410 HydrophobicContact CZ-CG1 4.14Å; L399-I410 HydrophobicContact CD2-CG1 4.5Å; L399-I410 WeakPolarHBondContact O-CD1 3.42Å; L405-I410 HydrophobicContact CB-CD1 4.08Å; L405-I410 HydrophobicContact CB-CG1 4.33Å; L405-I410 HydrophobicContact CD1-CD1 4.49Å; N406-I410 PolarHBondContact O-N 2.99Å; N406-I410 VanDerWaalsContact O-N 3.09Å; Q408-I410 VanDerWaalsContact C-N 3.3Å; Q408-I410 PolarHBondContact O-N 2.65Å; I410-E412 VanDerWaalsContact C-N 3.34Å; I410-E412 PolarHBondContact O-N 2.96Å; I410-Y413 WeakPolarHBondContact O-CB 3.31Å; I410-Y413 PolarHBondContact O-N 2.77Å; I410-F414 HydrophobicContact CG2-CD2 3.88Å; I410-F414 HydrophobicContact CG2-CE2 3.3Å; I410-F414 HydrophobicContact CG2-CZ 3.7Å; I410-F414 WeakPolarHBondContact O-CG 3.26Å; I410-F414 PolarHBondContact O-N 2.72Å; I410-F451 HydrophobicContact CB-CB 3.94Å; I410-F451 HydrophobicContact CG2-CB 3.57Å; I410-F451 HydrophobicContact CG2-CG 4.26Å
411	G	94.7	Very high	95	Very high	2 Å²	2	43.5 Å²	43.5	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-67.5	-31	178.2	0	0	0	0	0	114.6	R407 Q408 G415 H452	R407-G411 PolarHBondContact O-N 3.33Å; Q408-G411 PolarHBondContact O-N 3.37Å; G411-G415 PolarHBondContact O-N 2.71Å; G411-H452 WeakPolarHBondContact CA-O 3.42Å
412	E	95	Very high	95	Very high	62 Å²	62	38.2 Å²	38.2	29%	0.29	21%	0.205	S	C	.	.	H	α-helix	trans	-65.2	-40.9	170.3	-81.7	175.8	-158.9	0	0	111.9	P375 Q408 A409 I410 G415 R579	P375-E412 HydrophobicContact CG-CB 4.06Å; Q408-E412 PolarHBondContact O-N 2.96Å; A409-E412 PolarHBondContact O-N 2.99Å; I410-E412 VanDerWaalsContact C-N 3.34Å; I410-E412 PolarHBondContact O-N 2.96Å; E412-G415 PolarHBondContact O-N 2.94Å; E412-G415 VanDerWaalsContact O-N 3.12Å; E412-R579 IonicContact OE1-CZ 3.8Å; E412-R579 VanDerWaalsContact OE1-CZ 3.27Å; E412-R579 IonicContact OE1-NH1 2.89Å; E412-R579 PolarHBondContact OE1-NH1 2.51Å; E412-R579 IonicContact OE1-NH2 3.37Å; E412-R579 PolarHBondContact OE1-NH2 3.11Å; E412-R579 IonicContact OE2-CZ 3.22Å; E412-R579 VanDerWaalsContact OE2-CZ 3.24Å; E412-R579 IonicContact OE2-NH1 3.83Å; E412-R579 PolarHBondContact OE2-NH1 3.15Å; E412-R579 IonicContact OE2-NH2 2.78Å; E412-R579 PolarHBondContact OE2-NH2 3.09Å
413	Y	97.3	Very high	95	Very high	3 Å²	3	38.7 Å²	38.7	1%	0.012	21%	0.208	C	C	.	.	H	α-helix	trans	-60.4	-47.1	174.8	-172.5	-107.7	0	0	0	111.9	F371 P375 V379 L399 A409 I410 G415 L416 A422 V425	F371-Y413 HydrophobicContact CE2-CD2 4.44Å; F371-Y413 HydrophobicContact CE2-CG 4.34Å; P375-Y413 HydrophobicContact CB-CD2 3.82Å; P375-Y413 HydrophobicContact CB-CG 4.17Å; V379-Y413 HydrophobicContact CB-CE2 4.38Å; V379-Y413 HydrophobicContact CG2-CD2 4.32Å; V379-Y413 HydrophobicContact CG2-CE2 3.79Å; L399-Y413 HydrophobicContact CD1-CD1 3.85Å; L399-Y413 HydrophobicContact CD1-CE1 4.09Å; A409-Y413 PolarHBondContact O-N 3.11Å; I410-Y413 WeakPolarHBondContact O-CB 3.31Å; I410-Y413 PolarHBondContact O-N 2.77Å; Y413-G415 PolarHBondContact O-N 3.45Å; Y413-L416 HydrophobicContact CD2-CD1 3.91Å; Y413-L416 HydrophobicContact CE2-CD1 4.36Å; Y413-L416 WeakPolarHBondContact O-CB 3.35Å; Y413-L416 WeakPolarHBondContact O-CD1 3.4Å; Y413-L416 VanDerWaalsContact O-CG 3.32Å; Y413-L416 WeakPolarHBondContact O-CG 3.35Å; Y413-L416 PolarHBondContact O-N 3.4Å; Y413-A422 HydrophobicContact CD1-CB 4.34Å; Y413-A422 HydrophobicContact CE1-CB 3.91Å; Y413-A422 HydrophobicContact CE2-CB 4.2Å; Y413-V425 HydrophobicContact CE1-CB 4.05Å; Y413-V425 HydrophobicContact CE1-CG1 3.95Å; Y413-V425 HydrophobicContact CE1-CG2 4.31Å
414	F	96.1	Very high	95.2	Very high	10 Å²	10	40.7 Å²	40.7	4%	0.044	21%	0.208	C	C	.	.	H	α-helix	trans	-67.8	-18	176	-62.7	-28.3	0	0	0	113.5	L399 I410 L416 V425 L426 F429 F451	L399-F414 HydrophobicContact CD1-CE1 3.7Å; L399-F414 HydrophobicContact CD1-CZ 3.85Å; I410-F414 HydrophobicContact CG2-CD2 3.88Å; I410-F414 HydrophobicContact CG2-CE2 3.3Å; I410-F414 HydrophobicContact CG2-CZ 3.7Å; I410-F414 WeakPolarHBondContact O-CG 3.26Å; I410-F414 PolarHBondContact O-N 2.72Å; F414-L416 VanDerWaalsContact C-N 3.27Å; F414-L416 PolarHBondContact O-N 3.07Å; F414-V425 HydrophobicContact CE1-CG1 4.11Å; F414-L426 HydrophobicContact CB-CD1 4.05Å; F414-L426 HydrophobicContact CB-CD2 4.36Å; F414-L426 HydrophobicContact CD1-CB 3.83Å; F414-L426 HydrophobicContact CD1-CD1 4.04Å; F414-L426 HydrophobicContact CD1-CG 4.47Å; F414-L426 HydrophobicContact CD2-CD1 3.82Å; F414-L426 HydrophobicContact CE1-CB 4.31Å; F414-L426 HydrophobicContact CE1-CD1 4.47Å; F414-L426 HydrophobicContact CE2-CD1 4.24Å; F414-L426 HydrophobicContact CG-CB 4.28Å; F414-L426 HydrophobicContact CG-CD1 3.72Å; F414-L426 HydrophobicContact CG-CG 4.45Å; F414-F429 HydrophobicContact CE1-CB 4.37Å; F414-F429 HydrophobicContact CE1-CG 4.43Å; F414-F429 AromaticContact CE2-CD1 3.78Å; F414-F429 HydrophobicContact CE2-CD1 3.78Å; F414-F429 HydrophobicContact CE2-CD2 4.32Å; F414-F429 AromaticContact CE2-CE1 3.89Å; F414-F429 HydrophobicContact CE2-CE1 3.89Å; F414-F429 HydrophobicContact CE2-CE2 4.37Å; F414-F429 HydrophobicContact CE2-CG 4.01Å; F414-F429 HydrophobicContact CE2-CZ 4.17Å; F414-F429 HydrophobicContact CZ-CB 3.86Å; F414-F429 AromaticContact CZ-CD1 3.77Å; F414-F429 HydrophobicContact CZ-CD1 3.77Å; F414-F429 AromaticContact CZ-CD2 3.66Å; F414-F429 HydrophobicContact CZ-CD2 3.66Å; F414-F429 HydrophobicContact CZ-CE1 4.18Å; F414-F429 HydrophobicContact CZ-CE2 4.03Å; F414-F429 AromaticContact CZ-CG 3.49Å; F414-F429 HydrophobicContact CZ-CG 3.49Å; F414-F429 VanDerWaalsContact CZ-CG 3.49Å; F414-F429 HydrophobicContact CZ-CZ 4.28Å; F414-F451 AromaticContact CD2-CD1 3.99Å; F414-F451 HydrophobicContact CD2-CD1 3.99Å; F414-F451 AromaticContact CD2-CD2 3.92Å; F414-F451 HydrophobicContact CD2-CD2 3.92Å; F414-F451 HydrophobicContact CD2-CE1 4.04Å; F414-F451 AromaticContact CD2-CE2 3.99Å; F414-F451 HydrophobicContact CD2-CE2 3.99Å; F414-F451 AromaticContact CD2-CG 3.92Å; F414-F451 HydrophobicContact CD2-CG 3.92Å; F414-F451 HydrophobicContact CD2-CZ 4.05Å; F414-F451 HydrophobicContact CE2-CB 4.48Å; F414-F451 AromaticContact CE2-CD1 3.79Å; F414-F451 HydrophobicContact CE2-CD1 3.79Å; F414-F451 HydrophobicContact CE2-CD2 4.46Å; F414-F451 HydrophobicContact CE2-CE1 4.08Å; F414-F451 AromaticContact CE2-CG 3.99Å; F414-F451 HydrophobicContact CE2-CG 3.99Å
415	G	92.7	Very high	95.3	Very high	4 Å²	4	39.3 Å²	39.3	4%	0.041	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-5.8	174.1	0	0	0	0	0	114.8	G411 E412 Y413 L417 K459	G411-G415 PolarHBondContact O-N 2.71Å; E412-G415 PolarHBondContact O-N 2.94Å; E412-G415 VanDerWaalsContact O-N 3.12Å; Y413-G415 PolarHBondContact O-N 3.45Å; G415-L417 PolarHBondContact O-N 3.02Å; G415-K459 WeakPolarHBondContact O-CD 3.05Å; G415-K459 WeakPolarHBondContact O-CE 3.42Å; G415-K459 WeakPolarHBondContact O-CG 3.26Å
416	L	94.6	Very high	95.4	Very high	44 Å²	44	39.3 Å²	39.3	23%	0.23	20%	0.2	C	C	.	.			trans	-79.9	81	-177.7	-60.2	169.6	0	0	0	111.4	V376 Y413 F414 D418 N419 A422	V376-L416 HydrophobicContact CG2-CD1 3.23Å; V376-L416 HydrophobicContact CG2-CD2 4.42Å; V376-L416 HydrophobicContact CG2-CG 4.45Å; Y413-L416 HydrophobicContact CD2-CD1 3.91Å; Y413-L416 HydrophobicContact CE2-CD1 4.36Å; Y413-L416 WeakPolarHBondContact O-CB 3.35Å; Y413-L416 WeakPolarHBondContact O-CD1 3.4Å; Y413-L416 VanDerWaalsContact O-CG 3.32Å; Y413-L416 WeakPolarHBondContact O-CG 3.35Å; Y413-L416 PolarHBondContact O-N 3.4Å; F414-L416 VanDerWaalsContact C-N 3.27Å; F414-L416 PolarHBondContact O-N 3.07Å; L416-D418 VanDerWaalsContact C-N 3.25Å; L416-D418 PolarHBondContact O-N 3.39Å; L416-N419 HydrophobicContact CB-CB 3.76Å; L416-N419 PolarHBondContact O-N 3.06Å; L416-N419 VanDerWaalsContact O-N 3.12Å; L416-A422 HydrophobicContact CB-CB 4.12Å; L416-A422 HydrophobicContact CD1-CB 4.41Å
417	L	92.5	Very high	95.5	Very high	72 Å²	72	42.4 Å²	42.4	38%	0.377	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-26.3	-173.5	-56.2	-174.8	0	0	0	114.1	G415 M423 Q458 K459 N462	G415-L417 PolarHBondContact O-N 3.02Å; L417-M423 HydrophobicContact CD2-SD 4.48Å; L417-Q458 HydrophobicContact CD1-CB 4.02Å; L417-K459 HydrophobicContact CD1-CG 4.27Å; L417-K459 HydrophobicContact CD2-CG 4.47Å; L417-K459 HydrophobicContact CG-CG 4.26Å; L417-N462 HydrophobicContact CD2-CB 3.53Å; L417-N462 VanDerWaalsContact CD2-CG 3.48Å; L417-N462 WeakPolarHBondContact CD2-ND2 3.4Å
418	D	93.4	Very high	95.6	Very high	144 Å²	144	43.9 Å²	43.9	77%	0.77	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-15.6	177.6	61.3	-30.7	0	0	0	113	L416 T420	L416-D418 VanDerWaalsContact C-N 3.25Å; L416-D418 PolarHBondContact O-N 3.39Å; D418-T420 PolarHBondContact O-N 2.89Å
419	N	93.8	Very high	95.9	Very high	44 Å²	44	39.7 Å²	39.7	24%	0.235	20%	0.202	C	C	.	.			trans	-91	106.2	-177.9	-170.4	-47.3	0	0	0	111.4	L416 L421 A422 M423	L416-N419 HydrophobicContact CB-CB 3.76Å; L416-N419 PolarHBondContact O-N 3.06Å; L416-N419 VanDerWaalsContact O-N 3.12Å; N419-L421 VanDerWaalsContact C-N 3.29Å; N419-L421 PolarHBondContact O-N 3.09Å; N419-L421 WeakPolarHBondContact OD1-CB 3.37Å; N419-L421 PolarHBondContact OD1-N 3.49Å; N419-A422 HydrophobicContact CB-CB 3.87Å; N419-A422 PolarHBondContact O-N 2.85Å; N419-A422 PolarHBondContact OD1-N 3.42Å; N419-M423 WeakPolarHBondContact O-CG 3.49Å; N419-M423 PolarHBondContact O-N 3.5Å
420	T	94.9	Very high	96	Very high	110 Å²	110	39.7 Å²	39.7	68%	0.675	20%	0.202	S	C	*	.	H	α-helix	trans	-61.2	-34.5	-178.5	58.9	0	0	0	0	113.4	D418 K424	D418-T420 PolarHBondContact O-N 2.89Å; T420-K424 WeakPolarHBondContact O-CG 3.37Å; T420-K424 PolarHBondContact O-N 2.93Å
421	L	96.1	Very high	96	Very high	39 Å²	39	42.4 Å²	42.4	20%	0.204	22%	0.217	C	C	.	.	H	α-helix	trans	-68.3	-49.9	176.3	178.4	62.5	0	0	0	110.3	P392 I395 N419 M423 K424 V425	P392-L421 HydrophobicContact CG-CD1 3.92Å; I395-L421 HydrophobicContact CD1-CD1 4.08Å; I395-L421 HydrophobicContact CD1-CD2 3.97Å; I395-L421 HydrophobicContact CD1-CG 4.23Å; N419-L421 VanDerWaalsContact C-N 3.29Å; N419-L421 PolarHBondContact O-N 3.09Å; N419-L421 WeakPolarHBondContact OD1-CB 3.37Å; N419-L421 PolarHBondContact OD1-N 3.49Å; L421-M423 PolarHBondContact O-N 2.84Å; L421-K424 PolarHBondContact O-N 3.31Å; L421-K424 VanDerWaalsContact O-N 3.1Å; L421-V425 HydrophobicContact CD1-CG2 4.19Å; L421-V425 HydrophobicContact CG-CG2 4.27Å; L421-V425 VanDerWaalsContact O-CG2 3.23Å; L421-V425 WeakPolarHBondContact O-CG2 3.37Å; L421-V425 PolarHBondContact O-N 2.74Å
422	A	96.2	Very high	96.1	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-58.3	-38.1	179.7	0	0	0	0	0	112.1	Y413 L416 N419 V425 L426	Y413-A422 HydrophobicContact CD1-CB 4.34Å; Y413-A422 HydrophobicContact CE1-CB 3.91Å; Y413-A422 HydrophobicContact CE2-CB 4.2Å; L416-A422 HydrophobicContact CB-CB 4.12Å; L416-A422 HydrophobicContact CD1-CB 4.41Å; N419-A422 HydrophobicContact CB-CB 3.87Å; N419-A422 PolarHBondContact O-N 2.85Å; N419-A422 PolarHBondContact OD1-N 3.42Å; A422-V425 PolarHBondContact O-N 3.26Å; A422-L426 PolarHBondContact O-N 2.97Å
423	M	95.9	Very high	96.2	Very high	38 Å²	38	43.1 Å²	43.1	19%	0.187	22%	0.221	C	C	.	.	H	α-helix	trans	-64.1	-42.5	175.2	-74.9	-56.4	-54.2	0	0	113.3	L417 N419 L421 L426 K427 N462 I466	L417-M423 HydrophobicContact CD2-SD 4.48Å; N419-M423 WeakPolarHBondContact O-CG 3.49Å; N419-M423 PolarHBondContact O-N 3.5Å; L421-M423 PolarHBondContact O-N 2.84Å; M423-L426 PolarHBondContact O-N 3.19Å; M423-K427 PolarHBondContact O-N 3.3Å; M423-N462 WeakPolarHBondContact CE-ND2 3.4Å; M423-N462 WeakPolarHBondContact CE-OD1 3.41Å; M423-N462 PolarHBondContact SD-ND2 3.49Å; M423-I466 HydrophobicContact CE-CD1 3.98Å; M423-I466 HydrophobicContact CE-CG1 3.99Å
424	K	97.3	Very high	96.2	Very high	130 Å²	130	48 Å²	48	57%	0.565	25%	0.248	S	C	*	.	H	α-helix	trans	-65	-44.2	173.4	-70.9	177.6	-179.9	-177	0	111	P392 T420 L421 L426 K427 E428	P392-K424 HydrophobicContact CB-CB 3.96Å; P392-K424 HydrophobicContact CG-CB 3.89Å; P392-K424 HydrophobicContact CG-CD 4.22Å; T420-K424 WeakPolarHBondContact O-CG 3.37Å; T420-K424 PolarHBondContact O-N 2.93Å; L421-K424 PolarHBondContact O-N 3.31Å; L421-K424 VanDerWaalsContact O-N 3.1Å; K424-L426 VanDerWaalsContact C-N 3.32Å; K424-L426 PolarHBondContact O-N 3.46Å; K424-K427 PolarHBondContact O-N 2.87Å; K424-E428 PolarHBondContact O-N 3.17Å
425	V	98.2	Very high	96.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.6	-42.5	177.8	177.5	0	0	0	0	111	P392 I395 A396 L399 Y413 F414 L421 A422 K427 E428 F429	P392-V425 HydrophobicContact CB-CG2 4.13Å; I395-V425 HydrophobicContact CB-CG1 4.17Å; I395-V425 HydrophobicContact CB-CG2 3.88Å; I395-V425 HydrophobicContact CD1-CG2 4.07Å; I395-V425 HydrophobicContact CG2-CB 4.49Å; I395-V425 HydrophobicContact CG2-CG1 3.73Å; I395-V425 HydrophobicContact CG2-CG2 3.86Å; A396-V425 HydrophobicContact CB-CG1 4.23Å; L399-V425 HydrophobicContact CD1-CG1 3.78Å; Y413-V425 HydrophobicContact CE1-CB 4.05Å; Y413-V425 HydrophobicContact CE1-CG1 3.95Å; Y413-V425 HydrophobicContact CE1-CG2 4.31Å; F414-V425 HydrophobicContact CE1-CG1 4.11Å; L421-V425 HydrophobicContact CD1-CG2 4.19Å; L421-V425 HydrophobicContact CG-CG2 4.27Å; L421-V425 VanDerWaalsContact O-CG2 3.23Å; L421-V425 WeakPolarHBondContact O-CG2 3.37Å; L421-V425 PolarHBondContact O-N 2.74Å; A422-V425 PolarHBondContact O-N 3.26Å; V425-K427 VanDerWaalsContact C-N 3.33Å; V425-K427 PolarHBondContact O-N 3.23Å; V425-E428 PolarHBondContact O-N 2.92Å; V425-F429 WeakPolarHBondContact O-CB 3.3Å; V425-F429 PolarHBondContact O-N 3.47Å
426	L	97.8	Very high	96.3	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-58.1	-44.9	176.3	172.5	59.3	0	0	0	111.5	F414 A422 M423 K424 F429 L430 L463 I466	F414-L426 HydrophobicContact CB-CD1 4.05Å; F414-L426 HydrophobicContact CB-CD2 4.36Å; F414-L426 HydrophobicContact CD1-CB 3.83Å; F414-L426 HydrophobicContact CD1-CD1 4.04Å; F414-L426 HydrophobicContact CD1-CG 4.47Å; F414-L426 HydrophobicContact CD2-CD1 3.82Å; F414-L426 HydrophobicContact CE1-CB 4.31Å; F414-L426 HydrophobicContact CE1-CD1 4.47Å; F414-L426 HydrophobicContact CE2-CD1 4.24Å; F414-L426 HydrophobicContact CG-CB 4.28Å; F414-L426 HydrophobicContact CG-CD1 3.72Å; F414-L426 HydrophobicContact CG-CG 4.45Å; A422-L426 PolarHBondContact O-N 2.97Å; M423-L426 PolarHBondContact O-N 3.19Å; K424-L426 VanDerWaalsContact C-N 3.32Å; K424-L426 PolarHBondContact O-N 3.46Å; L426-F429 PolarHBondContact O-N 3.42Å; L426-L430 HydrophobicContact CD1-CD1 4.47Å; L426-L430 HydrophobicContact CD1-CD2 4.41Å; L426-L430 HydrophobicContact CD1-CG 4.14Å; L426-L430 WeakPolarHBondContact O-CG 3.36Å; L426-L430 PolarHBondContact O-N 3.42Å; L426-L463 HydrophobicContact CD1-CD1 3.92Å; L426-L463 HydrophobicContact CD2-CD1 4.29Å; L426-I466 HydrophobicContact CD2-CB 4.26Å; L426-I466 HydrophobicContact CD2-CG1 4.11Å; L426-I466 HydrophobicContact CD2-CG2 4.42Å; L426-I466 HydrophobicContact CG-CB 4.48Å; L426-I466 HydrophobicContact CG-CG2 4.11Å
427	K	97.8	Very high	96.3	Very high	69 Å²	69	58.3 Å²	58.3	30%	0.3	30%	0.296	S	S	.	.	H	α-helix	trans	-63	-47.8	178.5	-174.6	167.5	-177.6	155.7	0	111.9	M423 K424 V425 F429 L430 L431 I466 E469 V470	M423-K427 PolarHBondContact O-N 3.3Å; K424-K427 PolarHBondContact O-N 2.87Å; V425-K427 VanDerWaalsContact C-N 3.33Å; V425-K427 PolarHBondContact O-N 3.23Å; K427-F429 VanDerWaalsContact C-N 3.31Å; K427-F429 PolarHBondContact O-N 2.86Å; K427-L430 PolarHBondContact O-N 3.22Å; K427-L431 HydrophobicContact CG-CD1 4.43Å; K427-L431 WeakPolarHBondContact O-CG 3.2Å; K427-L431 PolarHBondContact O-N 2.8Å; K427-L431 VanDerWaalsContact O-N 3.09Å; K427-I466 HydrophobicContact CB-CG2 4.02Å; K427-I466 HydrophobicContact CG-CG2 4.37Å; K427-E469 IonicContact NZ-OE2 2.85Å; K427-E469 PolarHBondContact NZ-OE2 3.18Å; K427-V470 HydrophobicContact CG-CG2 4.2Å
428	E	98	Very high	96.5	Very high	61 Å²	61	57 Å²	57	29%	0.285	29%	0.289	S	S	.	.	H	α-helix	trans	-62.2	-39	175.5	-65.1	-54.6	149.9	0	0	112	P392 I393 A396 K424 V425 L430 L431 L432	P392-E428 HydrophobicContact CB-CG 4.07Å; I393-E428 HydrophobicContact CG1-CG 3.93Å; A396-E428 HydrophobicContact CB-CB 3.81Å; K424-E428 PolarHBondContact O-N 3.17Å; V425-E428 PolarHBondContact O-N 2.92Å; E428-L430 PolarHBondContact O-N 3.34Å; E428-L431 WeakPolarHBondContact O-CB 3.45Å; E428-L431 PolarHBondContact O-N 2.96Å; E428-L432 WeakPolarHBondContact O-CG 3.36Å; E428-L432 PolarHBondContact O-N 3.36Å
429	F	98.3	Very high	96.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.4	-44.5	177.4	-176.8	-86.2	0	0	0	112.1	A396 L399 I400 F414 V425 L426 K427 L431 L432 I433 H450 F451	A396-F429 HydrophobicContact CB-CB 4.01Å; L399-F429 HydrophobicContact CB-CD2 3.98Å; L399-F429 HydrophobicContact CB-CE2 3.87Å; I400-F429 HydrophobicContact CB-CD2 4.18Å; I400-F429 HydrophobicContact CB-CE2 3.66Å; I400-F429 HydrophobicContact CB-CZ 4.32Å; I400-F429 HydrophobicContact CG1-CE2 4.19Å; I400-F429 HydrophobicContact CG1-CZ 4.36Å; F414-F429 HydrophobicContact CE1-CB 4.37Å; F414-F429 HydrophobicContact CE1-CG 4.43Å; F414-F429 AromaticContact CE2-CD1 3.78Å; F414-F429 HydrophobicContact CE2-CD1 3.78Å; F414-F429 HydrophobicContact CE2-CD2 4.32Å; F414-F429 AromaticContact CE2-CE1 3.89Å; F414-F429 HydrophobicContact CE2-CE1 3.89Å; F414-F429 HydrophobicContact CE2-CE2 4.37Å; F414-F429 HydrophobicContact CE2-CG 4.01Å; F414-F429 HydrophobicContact CE2-CZ 4.17Å; F414-F429 HydrophobicContact CZ-CB 3.86Å; F414-F429 AromaticContact CZ-CD1 3.77Å; F414-F429 HydrophobicContact CZ-CD1 3.77Å; F414-F429 AromaticContact CZ-CD2 3.66Å; F414-F429 HydrophobicContact CZ-CD2 3.66Å; F414-F429 HydrophobicContact CZ-CE1 4.18Å; F414-F429 HydrophobicContact CZ-CE2 4.03Å; F414-F429 AromaticContact CZ-CG 3.49Å; F414-F429 HydrophobicContact CZ-CG 3.49Å; F414-F429 VanDerWaalsContact CZ-CG 3.49Å; F414-F429 HydrophobicContact CZ-CZ 4.28Å; V425-F429 WeakPolarHBondContact O-CB 3.3Å; V425-F429 PolarHBondContact O-N 3.47Å; L426-F429 PolarHBondContact O-N 3.42Å; K427-F429 VanDerWaalsContact C-N 3.31Å; K427-F429 PolarHBondContact O-N 2.86Å; F429-L431 VanDerWaalsContact C-N 3.31Å; F429-L431 PolarHBondContact O-N 3.02Å; F429-L432 PolarHBondContact O-N 2.9Å; F429-I433 HydrophobicContact CD1-CD1 4.23Å; F429-I433 HydrophobicContact CE1-CD1 3.88Å; F429-H450 HydrophobicContact CE1-CB 3.94Å; F429-H450 HydrophobicContact CZ-CB 3.82Å; F429-F451 AromaticContact CE1-CD1 3.82Å; F429-F451 HydrophobicContact CE1-CD1 3.82Å; F429-F451 HydrophobicContact CE1-CE1 4.22Å; F429-F451 HydrophobicContact CZ-CD1 4.41Å
430	L	97.9	Very high	96.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-67.6	-31.3	175.9	-64.8	-165.6	0	0	0	112.3	L426 K427 E428 L432 I433 V447 F451 L463 I466 F467 V470	L426-L430 HydrophobicContact CD1-CD1 4.47Å; L426-L430 HydrophobicContact CD1-CD2 4.41Å; L426-L430 HydrophobicContact CD1-CG 4.14Å; L426-L430 WeakPolarHBondContact O-CG 3.36Å; L426-L430 PolarHBondContact O-N 3.42Å; K427-L430 PolarHBondContact O-N 3.22Å; E428-L430 PolarHBondContact O-N 3.34Å; L430-L432 VanDerWaalsContact C-N 3.25Å; L430-L432 PolarHBondContact O-N 3.26Å; L430-I433 HydrophobicContact CD2-CD1 4.22Å; L430-I433 PolarHBondContact O-N 3.49Å; L430-V447 HydrophobicContact CD2-CB 4.33Å; L430-V447 HydrophobicContact CD2-CG1 3.44Å; L430-V447 VanDerWaalsContact CD2-CG1 3.44Å; L430-V447 HydrophobicContact CD2-CG2 3.97Å; L430-F451 HydrophobicContact CD2-CE1 4.38Å; L430-L463 HydrophobicContact CD1-CD1 4.37Å; L430-I466 HydrophobicContact CD1-CG2 4.03Å; L430-F467 HydrophobicContact CD1-CB 4.18Å; L430-V470 HydrophobicContact CB-CB 4.21Å; L430-V470 HydrophobicContact CB-CG1 4.04Å; L430-V470 HydrophobicContact CB-CG2 4.02Å
431	L	97.6	Very high	96.9	Very high	57 Å²	57	45.1 Å²	45.1	30%	0.298	22%	0.22	S	C	.	.	H	α-helix	trans	-64.8	-29	175.4	-77.4	164.6	0	0	0	112.7	K427 E428 F429 I433 V470 I473 Q474	K427-L431 HydrophobicContact CG-CD1 4.43Å; K427-L431 WeakPolarHBondContact O-CG 3.2Å; K427-L431 PolarHBondContact O-N 2.8Å; K427-L431 VanDerWaalsContact O-N 3.09Å; E428-L431 WeakPolarHBondContact O-CB 3.45Å; E428-L431 PolarHBondContact O-N 2.96Å; F429-L431 VanDerWaalsContact C-N 3.31Å; F429-L431 PolarHBondContact O-N 3.02Å; L431-I433 VanDerWaalsContact C-N 3.29Å; L431-V470 HydrophobicContact CD2-CG1 3.87Å; L431-V470 HydrophobicContact CD2-CG2 4.48Å; L431-V470 HydrophobicContact CG-CG1 4.06Å; L431-V470 HydrophobicContact CG-CG2 4.22Å; L431-I473 HydrophobicContact CD2-CG2 4.45Å; L431-Q474 PolarHBondContact O-NE2 2.87Å
432	L	97.1	Very high	97	Very high	73 Å²	73	45.5 Å²	45.5	38%	0.382	22%	0.224	S	C	.	.	H	α-helix	trans	-72.6	-21.1	175.3	-64.6	173.9	0	0	0	113.1	A396 Q397 I400 E428 F429 L430	A396-L432 HydrophobicContact CB-CD1 4.01Å; Q397-L432 HydrophobicContact CG-CD1 3.94Å; I400-L432 HydrophobicContact CD1-CB 4.12Å; I400-L432 HydrophobicContact CG2-CD1 4.09Å; E428-L432 WeakPolarHBondContact O-CG 3.36Å; E428-L432 PolarHBondContact O-N 3.36Å; F429-L432 PolarHBondContact O-N 2.9Å; L430-L432 VanDerWaalsContact C-N 3.25Å; L430-L432 PolarHBondContact O-N 3.26Å
433	I	97	Very high	97.1	Very high	5 Å²	5	45.5 Å²	45.5	3%	0.026	22%	0.223	C	C	.	.	S	Bend	trans	-83	121.6	178.9	-59.4	175.8	0	0	0	108.5	I400 F429 L430 L431 M435 S446 V447 H450 Q474	I400-I433 HydrophobicContact CD1-CG1 4.23Å; F429-I433 HydrophobicContact CD1-CD1 4.23Å; F429-I433 HydrophobicContact CE1-CD1 3.88Å; L430-I433 HydrophobicContact CD2-CD1 4.22Å; L430-I433 PolarHBondContact O-N 3.49Å; L431-I433 VanDerWaalsContact C-N 3.29Å; I433-M435 HydrophobicContact CG2-CG 4.15Å; I433-M435 PolarHBondContact O-N 2.97Å; I433-S446 VanDerWaalsContact CG2-OG 3.31Å; I433-S446 WeakPolarHBondContact CG2-OG 3.35Å; I433-V447 HydrophobicContact CD1-CG2 4.18Å; I433-V447 HydrophobicContact CG2-CG2 4.45Å; I433-H450 HydrophobicContact CD1-CB 4.16Å; I433-Q474 PolarHBondContact O-NE2 3.42Å; I433-Q474 PolarHBondContact O-OE1 3.08Å
434	N	96.1	Very high	97.1	Very high	106 Å²	106	43.7 Å²	43.7	57%	0.567	22%	0.215	S	C	*	.			trans	-73	108.9	177	-177	21.1	0	0	0	110.4	K436 M438	N434-K436 WeakPolarHBondContact OD1-CB 3.41Å; N434-K436 WeakPolarHBondContact OD1-CG 3.37Å; N434-K436 PolarHBondContact OD1-N 3.27Å; N434-M438 VanDerWaalsContact O-SD 3.36Å
435	M	96.5	Very high	97.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.198	C	C	.	.			trans	-113.1	9	175	-57.6	178.2	-76.4	0	0	112.5	I433 N437 M438 A443 V447 F467 V470 Q474 N475	I433-M435 HydrophobicContact CG2-CG 4.15Å; I433-M435 PolarHBondContact O-N 2.97Å; M435-N437 PolarHBondContact O-N 2.81Å; M435-M438 WeakPolarHBondContact O-CB 3.43Å; M435-M438 PolarHBondContact O-N 3.07Å; M435-A443 HydrophobicContact CB-CB 3.9Å; M435-A443 HydrophobicContact CG-CB 3.94Å; M435-A443 HydrophobicContact SD-CB 3.99Å; M435-V447 HydrophobicContact SD-CG2 3.66Å; M435-F467 HydrophobicContact SD-CD2 4.2Å; M435-F467 HydrophobicContact SD-CE2 3.7Å; M435-V470 HydrophobicContact CE-CB 4.24Å; M435-V470 HydrophobicContact CE-CG1 3.5Å; M435-V470 VanDerWaalsContact CE-CG1 3.5Å; M435-Q474 VanDerWaalsContact CB-OE1 3.26Å; M435-N475 PolarHBondContact O-ND2 2.86Å; M435-N475 PolarHBondContact O-OD1 2.94Å
436	K	95.8	Very high	97	Very high	131 Å²	131	41.9 Å²	41.9	57%	0.57	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	133.9	-177.4	-64.3	-179.9	-179.8	-179.4	0	110.9	N434 M438 Q474 N475	N434-K436 WeakPolarHBondContact OD1-CB 3.41Å; N434-K436 WeakPolarHBondContact OD1-CG 3.37Å; N434-K436 PolarHBondContact OD1-N 3.27Å; K436-M438 PolarHBondContact O-N 3.28Å; K436-Q474 HydrophobicContact CG-CB 4.23Å; K436-N475 WeakPolarHBondContact CA-OD1 3.49Å
437	N	94.9	Very high	96.9	Very high	143 Å²	143	41.8 Å²	41.8	77%	0.765	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.1	20.2	-179.6	-54.1	-39.8	0	0	0	114.6	M435 N475 R478	M435-N437 PolarHBondContact O-N 2.81Å; N437-N475 PolarHBondContact N-OD1 3.46Å; N437-R478 PolarHBondContact O-NH1 3.01Å
438	M	96.6	Very high	96.7	Very high	45 Å²	45	38.6 Å²	38.6	22%	0.222	20%	0.195	C	C	.	.			trans	-99.1	151.7	178.2	-60.5	178.3	73.6	0	0	111.3	N434 M435 K436 V442 A443 Y471 R478	N434-M438 VanDerWaalsContact O-SD 3.36Å; M435-M438 WeakPolarHBondContact O-CB 3.43Å; M435-M438 PolarHBondContact O-N 3.07Å; K436-M438 PolarHBondContact O-N 3.28Å; M438-V442 HydrophobicContact CB-CB 4.45Å; M438-V442 HydrophobicContact CE-CB 4.15Å; M438-V442 HydrophobicContact CE-CG1 3.43Å; M438-V442 VanDerWaalsContact CE-CG1 3.43Å; M438-V442 WeakPolarHBondContact CE-O 3.34Å; M438-A443 HydrophobicContact CB-CB 4.1Å; M438-Y471 PolarHBondContact O-OH 2.99Å; M438-R478 PolarHBondContact O-NH1 2.85Å
439	E	96.4	Very high	96.5	Very high	46 Å²	46	36.1 Å²	36.1	22%	0.215	19%	0.186	C	C	.	.			trans	-76.8	160.7	170.9	-69.8	-172.7	166.7	0	0	110.1	D441 V442 A443 R478 L537 R544	E439-D441 VanDerWaalsContact C-N 3.29Å; E439-D441 WeakPolarHBondContact CB-OD1 3.47Å; E439-D441 PolarHBondContact O-N 3.24Å; E439-V442 HydrophobicContact CB-CG2 4.09Å; E439-V442 PolarHBondContact O-N 2.96Å; E439-A443 WeakPolarHBondContact O-CB 2.87Å; E439-A443 PolarHBondContact O-N 3.41Å; E439-R478 IonicContact OE1-NH2 2.86Å; E439-R478 PolarHBondContact OE1-NH2 3.47Å; E439-L537 HydrophobicContact CG-CD1 4.45Å; E439-R544 IonicContact OE2-CZ 3.89Å; E439-R544 IonicContact OE2-NH1 2.88Å; E439-R544 PolarHBondContact OE2-NH1 2.81Å; E439-R544 IonicContact OE2-NH2 3.61Å; E439-R544 PolarHBondContact OE2-NH2 3.28Å
440	V	96.9	Very high	96.4	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.018	19%	0.194	C	C	.	.	H	α-helix	trans	-54.2	-44.9	-173.9	176.9	0	0	0	0	111.6	L444 F467 Y471 F483 V489 L492 A493	V440-L444 WeakPolarHBondContact O-CB 3.41Å; V440-L444 PolarHBondContact O-N 2.9Å; V440-F467 HydrophobicContact CG1-CE1 4.18Å; V440-Y471 HydrophobicContact CG2-CE1 3.99Å; V440-Y471 PolarHBondContact N-OH 3.44Å; V440-F483 HydrophobicContact CG2-CE2 4.27Å; V440-F483 HydrophobicContact CG2-CZ 4.16Å; V440-V489 HydrophobicContact CG1-CG1 4.45Å; V440-V489 HydrophobicContact CG2-CG1 4.29Å; V440-L492 HydrophobicContact CB-CD2 4.37Å; V440-L492 HydrophobicContact CG1-CD2 4.49Å; V440-L492 HydrophobicContact CG1-CG 4.48Å; V440-L492 HydrophobicContact CG2-CD2 4.25Å; V440-A493 HydrophobicContact CG1-CB 4.07Å
441	D	96.8	Very high	96.2	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-70.5	-34.3	178.9	67.4	-57.7	0	0	0	113.2	E439 R445 V496 I541 R544 I545	E439-D441 VanDerWaalsContact C-N 3.29Å; E439-D441 WeakPolarHBondContact CB-OD1 3.47Å; E439-D441 PolarHBondContact O-N 3.24Å; D441-R445 VanDerWaalsContact O-CB 3.29Å; D441-R445 WeakPolarHBondContact O-CB 3.41Å; D441-R445 PolarHBondContact O-N 3.22Å; D441-V496 HydrophobicContact CB-CG1 3.98Å; D441-V496 HydrophobicContact CB-CG2 4.38Å; D441-I541 HydrophobicContact CB-CG1 4.19Å; D441-I541 HydrophobicContact CB-CG2 4.13Å; D441-R544 VanDerWaalsContact CG-NH2 3.27Å; D441-R544 IonicContact OD1-CZ 3.75Å; D441-R544 IonicContact OD1-NE 2.86Å; D441-R544 IonicContact OD1-NH2 2.77Å; D441-R544 PolarHBondContact OD1-NH2 3.03Å; D441-R544 IonicContact OD2-CZ 3.11Å; D441-R544 IonicContact OD2-NE 3.43Å; D441-R544 PolarHBondContact OD2-NE 2.91Å; D441-R544 IonicContact OD2-NH2 2.7Å; D441-R544 PolarHBondContact OD2-NH2 3.24Å; D441-I545 HydrophobicContact CB-CD1 4.31Å
442	V	97.5	Very high	95.8	Very high	47 Å²	47	36.3 Å²	36.3	29%	0.285	19%	0.185	S	C	.	.	H	α-helix	trans	-73.8	-40.9	179.2	-167	0	0	0	0	110.1	M438 E439 R445 S446	M438-V442 HydrophobicContact CB-CB 4.45Å; M438-V442 HydrophobicContact CE-CB 4.15Å; M438-V442 HydrophobicContact CE-CG1 3.43Å; M438-V442 VanDerWaalsContact CE-CG1 3.43Å; M438-V442 WeakPolarHBondContact CE-O 3.34Å; E439-V442 HydrophobicContact CB-CG2 4.09Å; E439-V442 PolarHBondContact O-N 2.96Å; V442-R445 WeakPolarHBondContact O-CB 3.4Å; V442-R445 PolarHBondContact O-N 3.35Å; V442-S446 PolarHBondContact O-N 3.11Å; V442-S446 VanDerWaalsContact O-N 3.08Å
443	A	97.9	Very high	95.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.2	-45.8	172.1	0	0	0	0	0	111.2	M435 M438 E439 R445 S446 V447 F467 Y471	M435-A443 HydrophobicContact CB-CB 3.9Å; M435-A443 HydrophobicContact CG-CB 3.94Å; M435-A443 HydrophobicContact SD-CB 3.99Å; M438-A443 HydrophobicContact CB-CB 4.1Å; E439-A443 WeakPolarHBondContact O-CB 2.87Å; E439-A443 PolarHBondContact O-N 3.41Å; A443-R445 VanDerWaalsContact C-N 3.29Å; A443-R445 PolarHBondContact O-N 2.91Å; A443-S446 WeakPolarHBondContact O-CA 3.4Å; A443-S446 VanDerWaalsContact O-CB 3.28Å; A443-S446 WeakPolarHBondContact O-CB 3.41Å; A443-S446 PolarHBondContact O-N 3.04Å; A443-V447 PolarHBondContact O-N 3Å; A443-F467 HydrophobicContact CB-CE2 4.2Å; A443-F467 HydrophobicContact CB-CZ 4.09Å; A443-Y471 HydrophobicContact CB-CD2 3.69Å; A443-Y471 HydrophobicContact CB-CE2 3.55Å
444	L	96.9	Very high	94.6	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-60.5	-39.7	176.2	-176.9	61.7	0	0	0	111.6	V440 S446 V447 I448 M464 F467 A493 V496 F550	V440-L444 WeakPolarHBondContact O-CB 3.41Å; V440-L444 PolarHBondContact O-N 2.9Å; L444-S446 VanDerWaalsContact C-N 3.32Å; L444-S446 PolarHBondContact O-N 2.66Å; L444-V447 PolarHBondContact O-N 2.74Å; L444-I448 HydrophobicContact CD1-CD1 3.95Å; L444-I448 HydrophobicContact CD1-CG1 4.23Å; L444-I448 HydrophobicContact CD2-CD1 4.41Å; L444-I448 HydrophobicContact CG-CD1 3.8Å; L444-I448 HydrophobicContact CG-CG1 4.42Å; L444-I448 WeakPolarHBondContact O-CB 3.44Å; L444-I448 WeakPolarHBondContact O-CG1 3.3Å; L444-I448 PolarHBondContact O-N 3.48Å; L444-M464 HydrophobicContact CD1-CE 4.16Å; L444-M464 HydrophobicContact CD1-SD 4.14Å; L444-F467 HydrophobicContact CB-CE2 4.26Å; L444-F467 HydrophobicContact CB-CZ 4Å; L444-F467 HydrophobicContact CD1-CD2 4.4Å; L444-F467 HydrophobicContact CD1-CE2 4.35Å; L444-F467 HydrophobicContact CD1-CZ 4.48Å; L444-A493 HydrophobicContact CD2-CB 4.35Å; L444-V496 HydrophobicContact CD2-CB 4.2Å; L444-V496 HydrophobicContact CD2-CG1 3.97Å; L444-F550 HydrophobicContact CD2-CE2 4.14Å; L444-F550 HydrophobicContact CD2-CZ 4.23Å; L444-F550 HydrophobicContact CG-CE2 4.38Å; L444-F550 HydrophobicContact CG-CZ 4.36Å
445	R	96.2	Very high	93.6	Very high	58 Å²	58	30 Å²	30	22%	0.219	16%	0.159	C	C	.	.	H	α-helix	trans	-59	-42.5	172.4	-174.4	-178.7	-62	-85.1	0.7	111.9	D441 V442 A443 G449 R544 S548 E549 F550	D441-R445 VanDerWaalsContact O-CB 3.29Å; D441-R445 WeakPolarHBondContact O-CB 3.41Å; D441-R445 PolarHBondContact O-N 3.22Å; V442-R445 WeakPolarHBondContact O-CB 3.4Å; V442-R445 PolarHBondContact O-N 3.35Å; A443-R445 VanDerWaalsContact C-N 3.29Å; A443-R445 PolarHBondContact O-N 2.91Å; R445-G449 PolarHBondContact O-N 2.61Å; R445-R544 PolarHBondContact NH2-O 2.85Å; R445-S548 PolarHBondContact NH1-O 3.03Å; R445-S548 PolarHBondContact NH1-OG 3.42Å; R445-S548 PolarHBondContact NH2-O 3.18Å; R445-E549 PolarHBondContact NH1-O 2.95Å; R445-F550 HydrophobicContact CB-CD1 3.99Å; R445-F550 HydrophobicContact CB-CE1 3.7Å; R445-F550 HydrophobicContact CG-CD1 3.93Å; R445-F550 HydrophobicContact CG-CE1 4.11Å
446	S	96.2	Very high	92.8	Very high	33 Å²	33	34.7 Å²	34.7	23%	0.231	18%	0.181	C	C	.	.	H	α-helix	trans	-60.7	-46.2	175.9	-169.1	0	0	0	0	111.2	I433 V442 A443 L444 G449 H450	I433-S446 VanDerWaalsContact CG2-OG 3.31Å; I433-S446 WeakPolarHBondContact CG2-OG 3.35Å; V442-S446 PolarHBondContact O-N 3.11Å; V442-S446 VanDerWaalsContact O-N 3.08Å; A443-S446 WeakPolarHBondContact O-CA 3.4Å; A443-S446 VanDerWaalsContact O-CB 3.28Å; A443-S446 WeakPolarHBondContact O-CB 3.41Å; A443-S446 PolarHBondContact O-N 3.04Å; L444-S446 VanDerWaalsContact C-N 3.32Å; L444-S446 PolarHBondContact O-N 2.66Å; S446-G449 PolarHBondContact O-N 2.76Å; S446-H450 PolarHBondContact O-ND1 2.88Å
447	V	96.2	Very high	92.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.7	-51.3	178	171.2	0	0	0	0	112.1	L430 I433 M435 A443 L444 G449 H450 F451 F467	L430-V447 HydrophobicContact CD2-CB 4.33Å; L430-V447 HydrophobicContact CD2-CG1 3.44Å; L430-V447 VanDerWaalsContact CD2-CG1 3.44Å; L430-V447 HydrophobicContact CD2-CG2 3.97Å; I433-V447 HydrophobicContact CD1-CG2 4.18Å; I433-V447 HydrophobicContact CG2-CG2 4.45Å; M435-V447 HydrophobicContact SD-CG2 3.66Å; A443-V447 PolarHBondContact O-N 3Å; L444-V447 PolarHBondContact O-N 2.74Å; V447-G449 PolarHBondContact O-N 2.94Å; V447-H450 PolarHBondContact O-N 3.13Å; V447-F451 HydrophobicContact CG1-CE1 3.79Å; V447-F451 HydrophobicContact CG1-CZ 4.19Å; V447-F467 HydrophobicContact CG2-CD2 3.93Å; V447-F467 HydrophobicContact CG2-CE2 4.02Å
448	I	93.9	Very high	92	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-64.6	-24.5	178.6	-68.7	174.7	0	0	0	111.7	I233 L444 H450 L497 F550 T552	I233-I448 HydrophobicContact CD1-CG2 3.18Å; I233-I448 HydrophobicContact CG1-CG2 4.5Å; L444-I448 HydrophobicContact CD1-CD1 3.95Å; L444-I448 HydrophobicContact CD1-CG1 4.23Å; L444-I448 HydrophobicContact CD2-CD1 4.41Å; L444-I448 HydrophobicContact CG-CD1 3.8Å; L444-I448 HydrophobicContact CG-CG1 4.42Å; L444-I448 WeakPolarHBondContact O-CB 3.44Å; L444-I448 WeakPolarHBondContact O-CG1 3.3Å; L444-I448 PolarHBondContact O-N 3.48Å; I448-H450 PolarHBondContact O-N 3.45Å; I448-L497 HydrophobicContact CD1-CD1 4.07Å; I448-F550 HydrophobicContact CD1-CD2 3.51Å; I448-F550 HydrophobicContact CD1-CE2 3.69Å; I448-F550 HydrophobicContact CD1-CG 4.23Å; I448-F550 HydrophobicContact CG2-CB 3.97Å; I448-F550 HydrophobicContact CG2-CG 4.47Å; I448-T552 WeakPolarHBondContact O-CG2 3.29Å
449	G	93.7	Very high	91.6	Very high	9 Å²	9	28.4 Å²	28.4	9%	0.093	15%	0.149	C	C	.	.	H	α-helix	trans	-56.6	-34.7	170.1	0	0	0	0	0	112.8	R445 S446 V447 T552 L553	R445-G449 PolarHBondContact O-N 2.61Å; S446-G449 PolarHBondContact O-N 2.76Å; V447-G449 PolarHBondContact O-N 2.94Å; G449-T552 CarbonylContact O-C 3.57Å; G449-T552 WeakPolarHBondContact O-CA 3.39Å; G449-L553 WeakPolarHBondContact O-CB 3.43Å; G449-L553 VanDerWaalsContact O-CG 3.25Å; G449-L553 WeakPolarHBondContact O-CG 3.33Å; G449-L553 PolarHBondContact O-N 3.42Å
450	H	95.6	Very high	91.3	Very high	38 Å²	38	26.9 Å²	26.9	18%	0.176	14%	0.143	C	C	.	.	H	α-helix	trans	-89.5	-18.7	-169.8	-69.1	81.4	0	0	0	115	R407 F429 I433 S446 V447 I448	R407-H450 WeakPolarHBondContact CD-O 3.33Å; R407-H450 PolarHBondContact NH1-O 3.38Å; F429-H450 HydrophobicContact CE1-CB 3.94Å; F429-H450 HydrophobicContact CZ-CB 3.82Å; I433-H450 HydrophobicContact CD1-CB 4.16Å; S446-H450 PolarHBondContact O-ND1 2.88Å; V447-H450 PolarHBondContact O-N 3.13Å; I448-H450 PolarHBondContact O-N 3.45Å
451	F	94.6	Very high	91	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.009	15%	0.149	C	C	.	.			trans	-157.7	162	176.9	69.1	-87.2	0	0	0	111.7	I410 F414 F429 L430 V447 P453 L463	I410-F451 HydrophobicContact CB-CB 3.94Å; I410-F451 HydrophobicContact CG2-CB 3.57Å; I410-F451 HydrophobicContact CG2-CG 4.26Å; F414-F451 AromaticContact CD2-CD1 3.99Å; F414-F451 HydrophobicContact CD2-CD1 3.99Å; F414-F451 AromaticContact CD2-CD2 3.92Å; F414-F451 HydrophobicContact CD2-CD2 3.92Å; F414-F451 HydrophobicContact CD2-CE1 4.04Å; F414-F451 AromaticContact CD2-CE2 3.99Å; F414-F451 HydrophobicContact CD2-CE2 3.99Å; F414-F451 AromaticContact CD2-CG 3.92Å; F414-F451 HydrophobicContact CD2-CG 3.92Å; F414-F451 HydrophobicContact CD2-CZ 4.05Å; F414-F451 HydrophobicContact CE2-CB 4.48Å; F414-F451 AromaticContact CE2-CD1 3.79Å; F414-F451 HydrophobicContact CE2-CD1 3.79Å; F414-F451 HydrophobicContact CE2-CD2 4.46Å; F414-F451 HydrophobicContact CE2-CE1 4.08Å; F414-F451 AromaticContact CE2-CG 3.99Å; F414-F451 HydrophobicContact CE2-CG 3.99Å; F429-F451 AromaticContact CE1-CD1 3.82Å; F429-F451 HydrophobicContact CE1-CD1 3.82Å; F429-F451 HydrophobicContact CE1-CE1 4.22Å; F429-F451 HydrophobicContact CZ-CD1 4.41Å; L430-F451 HydrophobicContact CD2-CE1 4.38Å; V447-F451 HydrophobicContact CG1-CE1 3.79Å; V447-F451 HydrophobicContact CG1-CZ 4.19Å; F451-P453 HydrophobicContact CE2-CB 4.03Å; F451-P453 WeakPolarHBondContact O-CD 3.25Å; F451-L463 HydrophobicContact CE2-CD1 4.48Å; F451-L463 HydrophobicContact CE2-CD2 3.88Å; F451-L463 HydrophobicContact CZ-CD1 3.69Å; F451-L463 HydrophobicContact CZ-CD2 3.69Å; F451-L463 HydrophobicContact CZ-CG 4.35Å
452	H	89.3	Confident	90.8	Very high	21 Å²	21	29.2 Å²	29.2	10%	0.097	16%	0.158	C	C	.	.			trans	-98.5	105.2	-179.9	-176.2	72.9	0	0	0	110.5	S232 I236 R407 Q408 G411 T552	S232-H452 VanDerWaalsContact CB-CE1 3.49Å; S232-H452 WeakPolarHBondContact CB-CE1 3.42Å; S232-H452 PolarHBondContact O-CE1 2.91Å; I236-H452 WeakPolarHBondContact CD1-CE1 3.44Å; I236-H452 WeakPolarHBondContact CD1-NE2 3.2Å; I236-H452 WeakPolarHBondContact CG1-CE1 3.23Å; I236-H452 WeakPolarHBondContact CG1-NE2 3.44Å; R407-H452 HydrophobicContact CB-CB 4.48Å; R407-H452 PolarHBondContact O-N 3.45Å; Q408-H452 HydrophobicContact CB-CB 4.35Å; G411-H452 WeakPolarHBondContact CA-O 3.42Å; H452-T552 HydrophobicContact CB-CG2 4.05Å
453	P	86.6	Confident	90.6	Very high	5 Å²	5	27.4 Å²	27.4	3%	0.032	15%	0.147	C	C	.	.			trans	-63.9	147.6	-174.6	22.3	-29.7	0	0	0	112.6	I236 F451 L463	I236-P453 HydrophobicContact CD1-CG 3.83Å; I236-P453 WeakPolarHBondContact CD1-O 3.47Å; F451-P453 HydrophobicContact CE2-CB 4.03Å; F451-P453 WeakPolarHBondContact O-CD 3.25Å; P453-L463 HydrophobicContact CB-CD2 3.94Å
454	S	82.4	Confident	90.5	Very high	25 Å²	25	27.5 Å²	27.5	18%	0.175	15%	0.147	C	C	.	.			trans	-66.5	140.8	174	-176.5	0	0	0	0	111.1	E456 K459 I460	S454-E456 VanDerWaalsContact C-N 3.32Å; S454-E456 PolarHBondContact O-N 2.7Å; S454-K459 VanDerWaalsContact OG-CD 3.26Å; S454-K459 WeakPolarHBondContact OG-CD 3.46Å; S454-I460 WeakPolarHBondContact O-CG1 3.36Å
455	G	75.1	Confident	90.4	Very high	22 Å²	22	32.2 Å²	32.2	23%	0.227	17%	0.167	C	C	.	.	S	Bend	trans	-76.9	-7.7	-176.3	0	0	0	0	0	117.2	S457	G455-S457 PolarHBondContact O-N 2.88Å
456	E	80.1	Confident	90.4	Very high	99 Å²	99	30 Å²	30	46%	0.463	16%	0.16	S	C	.	.	S	Bend	trans	-67.4	127.7	174.6	-63.8	168.4	-145.9	0	0	111.1	S454 Q458 K459 I460	S454-E456 VanDerWaalsContact C-N 3.32Å; S454-E456 PolarHBondContact O-N 2.7Å; E456-Q458 VanDerWaalsContact C-N 3.27Å; E456-Q458 PolarHBondContact O-N 3.27Å; E456-K459 HydrophobicContact CB-CB 4.43Å; E456-K459 HydrophobicContact CB-CD 4.06Å; E456-K459 HydrophobicContact CB-CG 4.21Å; E456-K459 HydrophobicContact CG-CD 4.44Å; E456-K459 PolarHBondContact O-N 2.91Å; E456-K459 IonicContact OE1-NZ 3.65Å; E456-K459 PolarHBondContact OE1-NZ 3.48Å; E456-K459 WeakPolarHBondContact OE2-CD 3.33Å; E456-K459 WeakPolarHBondContact OE2-CE 3.25Å; E456-K459 IonicContact OE2-NZ 3.49Å; E456-K459 PolarHBondContact OE2-NZ 2.87Å; E456-I460 PolarHBondContact O-N 2.85Å; E456-I460 VanDerWaalsContact O-N 3.12Å
457	S	83.9	Confident	90.4	Very high	15 Å²	15	28.4 Å²	28.4	11%	0.105	15%	0.149	C	C	.	.	H	α-helix	trans	-53.8	-40.1	-176.6	42.9	0	0	0	0	114.1	F31 G455 K459 I460 A461	F31-S457 WeakPolarHBondContact CE1-OG 3.45Å; G455-S457 PolarHBondContact O-N 2.88Å; S457-K459 VanDerWaalsContact C-N 3.32Å; S457-K459 PolarHBondContact O-N 2.86Å; S457-I460 PolarHBondContact O-N 3.03Å; S457-A461 WeakPolarHBondContact O-CB 2.94Å; S457-A461 PolarHBondContact O-N 3.4Å
458	Q	88.6	Confident	90.4	Very high	127 Å²	127	29.4 Å²	29.4	59%	0.593	15%	0.153	S	C	*	.	H	α-helix	trans	-62.5	-40.2	179.5	-97.7	70.9	1.1	0	0	111.5	L417 E456 N462	L417-Q458 HydrophobicContact CD1-CB 4.02Å; E456-Q458 VanDerWaalsContact C-N 3.27Å; E456-Q458 PolarHBondContact O-N 3.27Å; Q458-N462 WeakPolarHBondContact O-CB 3.45Å; Q458-N462 PolarHBondContact O-N 3.01Å
459	K	89.8	Confident	90.6	Very high	44 Å²	44	32.2 Å²	32.2	19%	0.191	17%	0.166	C	C	.	.	H	α-helix	trans	-69.9	-41.8	179.3	-65.6	176.6	177.3	163.3	0	111.2	G415 L417 S454 E456 S457 N462 L463	G415-K459 WeakPolarHBondContact O-CD 3.05Å; G415-K459 WeakPolarHBondContact O-CE 3.42Å; G415-K459 WeakPolarHBondContact O-CG 3.26Å; L417-K459 HydrophobicContact CD1-CG 4.27Å; L417-K459 HydrophobicContact CD2-CG 4.47Å; L417-K459 HydrophobicContact CG-CG 4.26Å; S454-K459 VanDerWaalsContact OG-CD 3.26Å; S454-K459 WeakPolarHBondContact OG-CD 3.46Å; E456-K459 HydrophobicContact CB-CB 4.43Å; E456-K459 HydrophobicContact CB-CD 4.06Å; E456-K459 HydrophobicContact CB-CG 4.21Å; E456-K459 HydrophobicContact CG-CD 4.44Å; E456-K459 PolarHBondContact O-N 2.91Å; E456-K459 IonicContact OE1-NZ 3.65Å; E456-K459 PolarHBondContact OE1-NZ 3.48Å; E456-K459 WeakPolarHBondContact OE2-CD 3.33Å; E456-K459 WeakPolarHBondContact OE2-CE 3.25Å; E456-K459 IonicContact OE2-NZ 3.49Å; E456-K459 PolarHBondContact OE2-NZ 2.87Å; S457-K459 VanDerWaalsContact C-N 3.32Å; S457-K459 PolarHBondContact O-N 2.86Å; K459-N462 PolarHBondContact O-N 3.4Å; K459-L463 PolarHBondContact O-N 3.35Å
460	I	90.1	Very high	90.8	Very high	14 Å²	14	31.8 Å²	31.8	7%	0.072	16%	0.162	C	C	.	.	H	α-helix	trans	-63.1	-45.8	174.8	-62.1	177.7	0	0	0	111	I236 S454 E456 S457 N462 L463 M464 Y494 L497	I236-I460 HydrophobicContact CG2-CD1 4.25Å; S454-I460 WeakPolarHBondContact O-CG1 3.36Å; E456-I460 PolarHBondContact O-N 2.85Å; E456-I460 VanDerWaalsContact O-N 3.12Å; S457-I460 PolarHBondContact O-N 3.03Å; I460-N462 VanDerWaalsContact C-N 3.32Å; I460-N462 PolarHBondContact O-N 3.48Å; I460-L463 WeakPolarHBondContact O-CB 3.42Å; I460-L463 PolarHBondContact O-N 2.97Å; I460-M464 HydrophobicContact CG2-CE 4.15Å; I460-M464 HydrophobicContact CG2-CG 4.46Å; I460-M464 WeakPolarHBondContact O-CG 3.5Å; I460-M464 PolarHBondContact O-N 2.94Å; I460-Y494 HydrophobicContact CG2-CD2 4.15Å; I460-Y494 HydrophobicContact CG2-CE2 3.79Å; I460-L497 HydrophobicContact CD1-CD2 4.43Å; I460-L497 HydrophobicContact CG2-CD2 3.54Å
461	A	89.5	Confident	90.9	Very high	19 Å²	19	30.1 Å²	30.1	16%	0.157	15%	0.154	C	C	.	.	H	α-helix	trans	-59.9	-44.3	178.8	0	0	0	0	0	111.4	F15 S457 L463 M464 K465	F15-A461 HydrophobicContact CE2-CB 4.47Å; S457-A461 WeakPolarHBondContact O-CB 2.94Å; S457-A461 PolarHBondContact O-N 3.4Å; A461-L463 PolarHBondContact O-N 3.37Å; A461-M464 PolarHBondContact O-N 3.28Å; A461-K465 PolarHBondContact O-N 3.37Å
462	N	92.2	Very high	91	Very high	33 Å²	33	32.1 Å²	32.1	18%	0.176	17%	0.165	C	C	.	.	H	α-helix	trans	-62.6	-41	174.8	-178.9	67.4	0	0	0	112.4	L417 M423 Q458 K459 I460 M464 K465 I466	L417-N462 HydrophobicContact CD2-CB 3.53Å; L417-N462 VanDerWaalsContact CD2-CG 3.48Å; L417-N462 WeakPolarHBondContact CD2-ND2 3.4Å; M423-N462 WeakPolarHBondContact CE-ND2 3.4Å; M423-N462 WeakPolarHBondContact CE-OD1 3.41Å; M423-N462 PolarHBondContact SD-ND2 3.49Å; Q458-N462 WeakPolarHBondContact O-CB 3.45Å; Q458-N462 PolarHBondContact O-N 3.01Å; K459-N462 PolarHBondContact O-N 3.4Å; I460-N462 VanDerWaalsContact C-N 3.32Å; I460-N462 PolarHBondContact O-N 3.48Å; N462-M464 PolarHBondContact O-N 3.22Å; N462-K465 WeakPolarHBondContact O-CB 3.41Å; N462-K465 PolarHBondContact O-N 3.02Å; N462-I466 WeakPolarHBondContact O-CG1 3.21Å; N462-I466 PolarHBondContact O-N 3.04Å; N462-I466 VanDerWaalsContact O-N 3.09Å
463	L	94.7	Very high	91.4	Very high	10 Å²	10	36 Å²	36	5%	0.052	19%	0.185	C	C	.	.	H	α-helix	trans	-59.9	-44.8	173.7	173.7	61.5	0	0	0	111.8	L426 L430 F451 P453 K459 I460 A461 K465 I466 F467	L426-L463 HydrophobicContact CD1-CD1 3.92Å; L426-L463 HydrophobicContact CD2-CD1 4.29Å; L430-L463 HydrophobicContact CD1-CD1 4.37Å; F451-L463 HydrophobicContact CE2-CD1 4.48Å; F451-L463 HydrophobicContact CE2-CD2 3.88Å; F451-L463 HydrophobicContact CZ-CD1 3.69Å; F451-L463 HydrophobicContact CZ-CD2 3.69Å; F451-L463 HydrophobicContact CZ-CG 4.35Å; P453-L463 HydrophobicContact CB-CD2 3.94Å; K459-L463 PolarHBondContact O-N 3.35Å; I460-L463 WeakPolarHBondContact O-CB 3.42Å; I460-L463 PolarHBondContact O-N 2.97Å; A461-L463 PolarHBondContact O-N 3.37Å; L463-K465 VanDerWaalsContact C-N 3.29Å; L463-K465 PolarHBondContact O-N 3.4Å; L463-I466 PolarHBondContact O-N 3.44Å; L463-F467 VanDerWaalsContact O-CB 3.3Å; L463-F467 WeakPolarHBondContact O-CB 3.37Å; L463-F467 PolarHBondContact O-N 3.18Å
464	M	94.5	Very high	91.9	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-63.2	-36.8	178.6	-65.7	-49.7	120.9	0	0	112.1	L444 I460 A461 N462 F467 H468 E490 A493 Y494 L497	L444-M464 HydrophobicContact CD1-CE 4.16Å; L444-M464 HydrophobicContact CD1-SD 4.14Å; I460-M464 HydrophobicContact CG2-CE 4.15Å; I460-M464 HydrophobicContact CG2-CG 4.46Å; I460-M464 WeakPolarHBondContact O-CG 3.5Å; I460-M464 PolarHBondContact O-N 2.94Å; A461-M464 PolarHBondContact O-N 3.28Å; N462-M464 PolarHBondContact O-N 3.22Å; M464-F467 PolarHBondContact O-N 3.06Å; M464-H468 VanDerWaalsContact O-CB 3.29Å; M464-H468 WeakPolarHBondContact O-CB 3.21Å; M464-H468 PolarHBondContact O-N 3.02Å; M464-E490 HydrophobicContact CB-CG 4.23Å; M464-A493 HydrophobicContact SD-CB 3.86Å; M464-Y494 HydrophobicContact CG-CD2 3.94Å; M464-L497 HydrophobicContact CE-CD2 4.13Å
465	K	94.7	Very high	92.6	Very high	99 Å²	99	36.2 Å²	36.2	43%	0.43	18%	0.183	S	C	.	.	H	α-helix	trans	-60.1	-50.3	173.4	-175	-174.2	173.4	-172.9	0	112	A461 N462 L463 H468 E469 E490	A461-K465 PolarHBondContact O-N 3.37Å; N462-K465 WeakPolarHBondContact O-CB 3.41Å; N462-K465 PolarHBondContact O-N 3.02Å; L463-K465 VanDerWaalsContact C-N 3.29Å; L463-K465 PolarHBondContact O-N 3.4Å; K465-H468 WeakPolarHBondContact O-CB 2.74Å; K465-H468 PolarHBondContact O-N 3.19Å; K465-E469 PolarHBondContact O-N 3.45Å; K465-E469 VanDerWaalsContact O-N 3.08Å; K465-E490 WeakPolarHBondContact CB-OE1 3.46Å
466	I	96.5	Very high	93.6	Very high	12 Å²	12	37.9 Å²	37.9	6%	0.062	19%	0.19	C	C	.	.	H	α-helix	trans	-67.7	-38	179.4	-57.5	-60.8	0	0	0	111.1	M423 L426 K427 L430 N462 L463 H468 E469 V470	M423-I466 HydrophobicContact CE-CD1 3.98Å; M423-I466 HydrophobicContact CE-CG1 3.99Å; L426-I466 HydrophobicContact CD2-CB 4.26Å; L426-I466 HydrophobicContact CD2-CG1 4.11Å; L426-I466 HydrophobicContact CD2-CG2 4.42Å; L426-I466 HydrophobicContact CG-CB 4.48Å; L426-I466 HydrophobicContact CG-CG2 4.11Å; K427-I466 HydrophobicContact CB-CG2 4.02Å; K427-I466 HydrophobicContact CG-CG2 4.37Å; L430-I466 HydrophobicContact CD1-CG2 4.03Å; N462-I466 WeakPolarHBondContact O-CG1 3.21Å; N462-I466 PolarHBondContact O-N 3.04Å; N462-I466 VanDerWaalsContact O-N 3.09Å; L463-I466 PolarHBondContact O-N 3.44Å; I466-H468 VanDerWaalsContact C-N 3.34Å; I466-H468 PolarHBondContact O-N 3.17Å; I466-E469 PolarHBondContact O-N 2.81Å; I466-V470 HydrophobicContact CG2-CG2 4.47Å; I466-V470 WeakPolarHBondContact O-CG2 3.49Å; I466-V470 PolarHBondContact O-N 3.4Å; I466-V470 VanDerWaalsContact O-N 3.09Å
467	F	97.3	Very high	94.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.4	-47	172.6	170.5	-97.2	0	0	0	111.6	L430 M435 V440 A443 L444 V447 L463 M464 V470 Y471 V489 A493	L430-F467 HydrophobicContact CD1-CB 4.18Å; M435-F467 HydrophobicContact SD-CD2 4.2Å; M435-F467 HydrophobicContact SD-CE2 3.7Å; V440-F467 HydrophobicContact CG1-CE1 4.18Å; A443-F467 HydrophobicContact CB-CE2 4.2Å; A443-F467 HydrophobicContact CB-CZ 4.09Å; L444-F467 HydrophobicContact CB-CE2 4.26Å; L444-F467 HydrophobicContact CB-CZ 4Å; L444-F467 HydrophobicContact CD1-CD2 4.4Å; L444-F467 HydrophobicContact CD1-CE2 4.35Å; L444-F467 HydrophobicContact CD1-CZ 4.48Å; V447-F467 HydrophobicContact CG2-CD2 3.93Å; V447-F467 HydrophobicContact CG2-CE2 4.02Å; L463-F467 VanDerWaalsContact O-CB 3.3Å; L463-F467 WeakPolarHBondContact O-CB 3.37Å; L463-F467 PolarHBondContact O-N 3.18Å; M464-F467 PolarHBondContact O-N 3.06Å; F467-V470 PolarHBondContact O-N 3.09Å; F467-Y471 AromaticContact CZ-CD2 4Å; F467-Y471 HydrophobicContact CZ-CD2 4Å; F467-Y471 HydrophobicContact CZ-CG 4.38Å; F467-Y471 WeakPolarHBondContact O-CB 3.49Å; F467-Y471 PolarHBondContact O-N 3.37Å; F467-V489 HydrophobicContact CE1-CG1 4.33Å; F467-A493 HydrophobicContact CD1-CB 3.85Å; F467-A493 HydrophobicContact CE1-CB 3.75Å
468	H	96.3	Very high	94.9	Very high	21 Å²	21	40.7 Å²	40.7	10%	0.097	20%	0.202	C	C	.	.	H	α-helix	trans	-56.3	-52.2	175.8	157	-148.6	0	0	0	111.5	M464 K465 I466 V470 Y471 I472 P486 E490	M464-H468 VanDerWaalsContact O-CB 3.29Å; M464-H468 WeakPolarHBondContact O-CB 3.21Å; M464-H468 PolarHBondContact O-N 3.02Å; K465-H468 WeakPolarHBondContact O-CB 2.74Å; K465-H468 PolarHBondContact O-N 3.19Å; I466-H468 VanDerWaalsContact C-N 3.34Å; I466-H468 PolarHBondContact O-N 3.17Å; H468-V470 VanDerWaalsContact C-N 3.3Å; H468-V470 PolarHBondContact O-N 3.27Å; H468-Y471 PolarHBondContact O-N 3Å; H468-I472 WeakPolarHBondContact CD2-CD1 3.16Å; H468-I472 WeakPolarHBondContact NE2-CD1 3.41Å; H468-I472 WeakPolarHBondContact O-CG1 3.25Å; H468-I472 PolarHBondContact O-N 3.4Å; H468-I472 VanDerWaalsContact O-N 3.16Å; H468-P486 PolarHBondContact CD2-O 3.19Å; H468-P486 PolarHBondContact NE2-O 2.85Å; H468-E490 HydrophobicContact CB-CB 3.7Å; H468-E490 HydrophobicContact CB-CG 4.2Å; H468-E490 IonicContact CE1-OE2 3.6Å; H468-E490 IonicContact CG-OE2 3.43Å; H468-E490 IonicContact ND1-OE2 3.05Å; H468-E490 PolarHBondContact ND1-OE2 2.95Å
469	E	97	Very high	95.2	Very high	59 Å²	59	35.1 Å²	35.1	28%	0.276	18%	0.176	S	C	.	.	H	α-helix	trans	-54.7	-46.1	178.6	-71.1	179.9	-159.1	0	0	111.9	K427 K465 I466 I473	K427-E469 IonicContact NZ-OE2 2.85Å; K427-E469 PolarHBondContact NZ-OE2 3.18Å; K465-E469 PolarHBondContact O-N 3.45Å; K465-E469 VanDerWaalsContact O-N 3.08Å; I466-E469 PolarHBondContact O-N 2.81Å; E469-I473 WeakPolarHBondContact O-CD1 3.38Å; E469-I473 WeakPolarHBondContact O-CG1 3.41Å; E469-I473 PolarHBondContact O-N 3.49Å
470	V	97.7	Very high	95.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-74.9	-38.3	-176.9	178.7	0	0	0	0	112.1	K427 L430 L431 M435 I466 F467 H468 I472 I473 Q474	K427-V470 HydrophobicContact CG-CG2 4.2Å; L430-V470 HydrophobicContact CB-CB 4.21Å; L430-V470 HydrophobicContact CB-CG1 4.04Å; L430-V470 HydrophobicContact CB-CG2 4.02Å; L431-V470 HydrophobicContact CD2-CG1 3.87Å; L431-V470 HydrophobicContact CD2-CG2 4.48Å; L431-V470 HydrophobicContact CG-CG1 4.06Å; L431-V470 HydrophobicContact CG-CG2 4.22Å; M435-V470 HydrophobicContact CE-CB 4.24Å; M435-V470 HydrophobicContact CE-CG1 3.5Å; M435-V470 VanDerWaalsContact CE-CG1 3.5Å; I466-V470 HydrophobicContact CG2-CG2 4.47Å; I466-V470 WeakPolarHBondContact O-CG2 3.49Å; I466-V470 PolarHBondContact O-N 3.4Å; I466-V470 VanDerWaalsContact O-N 3.09Å; F467-V470 PolarHBondContact O-N 3.09Å; H468-V470 VanDerWaalsContact C-N 3.3Å; H468-V470 PolarHBondContact O-N 3.27Å; V470-I472 VanDerWaalsContact C-N 3.31Å; V470-I472 PolarHBondContact O-N 3.28Å; V470-I473 PolarHBondContact O-N 2.84Å; V470-Q474 PolarHBondContact O-N 3.35Å; V470-Q474 VanDerWaalsContact O-N 3.14Å
471	Y	98.3	Very high	95.7	Very high	3 Å²	3	49.1 Å²	49.1	1%	0.012	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-40	179.3	-178.9	-91.3	0	0	0	111.6	M438 V440 A443 F467 H468 Q474 N475 V479 V489	M438-Y471 PolarHBondContact O-OH 2.99Å; V440-Y471 HydrophobicContact CG2-CE1 3.99Å; V440-Y471 PolarHBondContact N-OH 3.44Å; A443-Y471 HydrophobicContact CB-CD2 3.69Å; A443-Y471 HydrophobicContact CB-CE2 3.55Å; F467-Y471 AromaticContact CZ-CD2 4Å; F467-Y471 HydrophobicContact CZ-CD2 4Å; F467-Y471 HydrophobicContact CZ-CG 4.38Å; F467-Y471 WeakPolarHBondContact O-CB 3.49Å; F467-Y471 PolarHBondContact O-N 3.37Å; H468-Y471 PolarHBondContact O-N 3Å; Y471-Q474 PolarHBondContact O-N 3.12Å; Y471-N475 HydrophobicContact CE1-CB 4.24Å; Y471-N475 WeakPolarHBondContact O-CB 3.24Å; Y471-N475 PolarHBondContact O-N 3.22Å; Y471-N475 PolarHBondContact O-ND2 3.46Å; Y471-V479 HydrophobicContact CD1-CG2 3.97Å; Y471-V479 HydrophobicContact CE1-CG2 3.75Å; Y471-V489 HydrophobicContact CD1-CG1 3.66Å; Y471-V489 HydrophobicContact CD1-CG2 4.28Å; Y471-V489 HydrophobicContact CE1-CG1 4.18Å; Y471-V489 HydrophobicContact CE1-CG2 4.36Å; Y471-V489 HydrophobicContact CG-CG1 4.19Å
472	I	97.2	Very high	95.9	Very high	45 Å²	45	50.6 Å²	50.6	23%	0.231	24%	0.237	C	C	.	.	H	α-helix	trans	-63.9	-44.2	176	-68.8	174.8	0	0	0	111.4	H468 V470 Q474 N475 P476 V479 P486	H468-I472 WeakPolarHBondContact CD2-CD1 3.16Å; H468-I472 WeakPolarHBondContact NE2-CD1 3.41Å; H468-I472 WeakPolarHBondContact O-CG1 3.25Å; H468-I472 PolarHBondContact O-N 3.4Å; H468-I472 VanDerWaalsContact O-N 3.16Å; V470-I472 VanDerWaalsContact C-N 3.31Å; V470-I472 PolarHBondContact O-N 3.28Å; I472-Q474 PolarHBondContact O-N 2.99Å; I472-N475 CarbonylContact O-C 3.59Å; I472-N475 PolarHBondContact O-N 2.77Å; I472-P476 WeakPolarHBondContact O-CA 3.44Å; I472-P476 WeakPolarHBondContact O-CD 3.48Å; I472-P476 VanDerWaalsContact O-N 3.12Å; I472-V479 HydrophobicContact CG1-CG1 4.33Å; I472-V479 HydrophobicContact CG1-CG2 4.14Å; I472-P486 HydrophobicContact CD1-CB 3.3Å; I472-P486 HydrophobicContact CG1-CB 4.43Å
473	I	96.7	Very high	96	Very high	103 Å²	103	49.7 Å²	49.7	53%	0.528	23%	0.232	S	C	.	.	H	α-helix	trans	-58.1	-40.3	179	-68.8	166.4	0	0	0	110.6	L431 E469 V470	L431-I473 HydrophobicContact CD2-CG2 4.45Å; E469-I473 WeakPolarHBondContact O-CD1 3.38Å; E469-I473 WeakPolarHBondContact O-CG1 3.41Å; E469-I473 PolarHBondContact O-N 3.49Å; V470-I473 PolarHBondContact O-N 2.84Å
474	Q	97.6	Very high	96	Very high	27 Å²	27	55.4 Å²	55.4	13%	0.126	26%	0.258	C	S	.	.	H	α-helix	trans	-85.3	-18.6	-178.9	-63.9	-169.5	5.2	0	0	114.2	L431 I433 M435 K436 V470 Y471 I472	L431-Q474 PolarHBondContact O-NE2 2.87Å; I433-Q474 PolarHBondContact O-NE2 3.42Å; I433-Q474 PolarHBondContact O-OE1 3.08Å; M435-Q474 VanDerWaalsContact CB-OE1 3.26Å; K436-Q474 HydrophobicContact CG-CB 4.23Å; V470-Q474 PolarHBondContact O-N 3.35Å; V470-Q474 VanDerWaalsContact O-N 3.14Å; Y471-Q474 PolarHBondContact O-N 3.12Å; I472-Q474 PolarHBondContact O-N 2.99Å
475	N	97.2	Very high	95.9	Very high	6 Å²	6	56 Å²	56	3%	0.032	26%	0.263	C	S	.	.			trans	-135.2	48.1	-174.9	-61.8	-81.8	0	0	0	114.2	M435 K436 N437 Y471 I472 D477 R478 V479	M435-N475 PolarHBondContact O-ND2 2.86Å; M435-N475 PolarHBondContact O-OD1 2.94Å; K436-N475 WeakPolarHBondContact CA-OD1 3.49Å; N437-N475 PolarHBondContact N-OD1 3.46Å; Y471-N475 HydrophobicContact CE1-CB 4.24Å; Y471-N475 WeakPolarHBondContact O-CB 3.24Å; Y471-N475 PolarHBondContact O-N 3.22Å; Y471-N475 PolarHBondContact O-ND2 3.46Å; I472-N475 CarbonylContact O-C 3.59Å; I472-N475 PolarHBondContact O-N 2.77Å; N475-D477 PolarHBondContact O-N 3.3Å; N475-R478 HydrophobicContact CB-CB 4.29Å; N475-R478 PolarHBondContact O-N 3.25Å; N475-V479 WeakPolarHBondContact O-CG2 3.23Å; N475-V479 PolarHBondContact O-N 3.06Å; N475-V479 VanDerWaalsContact O-N 3.1Å
476	P	96.2	Very high	95.8	Very high	58 Å²	58	54.4 Å²	54.4	38%	0.377	26%	0.262	S	S	.	.	H	α-helix	trans	-61.2	-41.9	-171.2	24.6	-34.5	0	0	0	113	I472 V479 R480	I472-P476 WeakPolarHBondContact O-CA 3.44Å; I472-P476 WeakPolarHBondContact O-CD 3.48Å; I472-P476 VanDerWaalsContact O-N 3.12Å; P476-V479 PolarHBondContact O-N 3Å; P476-R480 PolarHBondContact O-N 3.09Å; P476-R480 VanDerWaalsContact O-N 3.09Å
477	D	95.8	Very high	95.6	Very high	107 Å²	107	59.7 Å²	59.7	57%	0.572	29%	0.287	S	S	*	.	H	α-helix	trans	-72.4	-35.4	-177.1	-60.6	-47.6	0	0	0	112.5	N475 R480 K481	N475-D477 PolarHBondContact O-N 3.3Å; D477-R480 IonicContact OD1-CZ 3.75Å; D477-R480 IonicContact OD1-NH1 3.95Å; D477-R480 PolarHBondContact OD1-NH1 3.37Å; D477-R480 IonicContact OD1-NH2 2.9Å; D477-K481 VanDerWaalsContact O-CB 3.3Å; D477-K481 WeakPolarHBondContact O-CB 3.33Å; D477-K481 PolarHBondContact O-N 2.73Å
478	R	95	Very high	95.4	Very high	66 Å²	66	59.8 Å²	59.8	25%	0.249	29%	0.287	C	S	.	.	H	α-helix	trans	-67.4	-41.5	176.4	-167.1	179.9	-163	143.7	16.3	111.3	N437 M438 E439 N475 K481 N482	N437-R478 PolarHBondContact O-NH1 3.01Å; M438-R478 PolarHBondContact O-NH1 2.85Å; E439-R478 IonicContact OE1-NH2 2.86Å; E439-R478 PolarHBondContact OE1-NH2 3.47Å; N475-R478 HydrophobicContact CB-CB 4.29Å; N475-R478 PolarHBondContact O-N 3.25Å; R478-K481 PolarHBondContact O-N 3.39Å; R478-N482 WeakPolarHBondContact O-CB 3.35Å; R478-N482 PolarHBondContact O-N 2.78Å
479	V	95.8	Very high	95.4	Very high	9 Å²	9	58.8 Å²	58.8	6%	0.055	28%	0.283	C	S	.	.	H	α-helix	trans	-63	-47.7	177.6	173.1	0	0	0	0	110.1	Y471 I472 N475 P476 K481 N482 F483 P486 V489	Y471-V479 HydrophobicContact CD1-CG2 3.97Å; Y471-V479 HydrophobicContact CE1-CG2 3.75Å; I472-V479 HydrophobicContact CG1-CG1 4.33Å; I472-V479 HydrophobicContact CG1-CG2 4.14Å; N475-V479 WeakPolarHBondContact O-CG2 3.23Å; N475-V479 PolarHBondContact O-N 3.06Å; N475-V479 VanDerWaalsContact O-N 3.1Å; P476-V479 PolarHBondContact O-N 3Å; V479-K481 VanDerWaalsContact C-N 3.26Å; V479-K481 PolarHBondContact O-N 3.2Å; V479-N482 PolarHBondContact O-N 3.01Å; V479-F483 HydrophobicContact CG1-CD2 4.33Å; V479-F483 PolarHBondContact O-N 3.29Å; V479-P486 HydrophobicContact CG1-CB 4.36Å; V479-V489 HydrophobicContact CG1-CG2 4.35Å; V479-V489 HydrophobicContact CG2-CG2 4.13Å
480	R	94.8	Very high	95.2	Very high	175 Å²	175	57.2 Å²	57.2	66%	0.66	28%	0.275	S	S	*	.	H	α-helix	trans	-60.7	-34.1	176.9	-165.9	-171.6	-54	124.2	8.3	113.2	P476 D477	P476-R480 PolarHBondContact O-N 3.09Å; P476-R480 VanDerWaalsContact O-N 3.09Å; D477-R480 IonicContact OD1-CZ 3.75Å; D477-R480 IonicContact OD1-NH1 3.95Å; D477-R480 PolarHBondContact OD1-NH1 3.37Å; D477-R480 IonicContact OD1-NH2 2.9Å
481	K	94.5	Very high	95	Very high	178 Å²	178	57.8 Å²	57.8	77%	0.774	28%	0.279	S	S	*	.	H	α-helix	trans	-75.6	-38.4	-179.8	-176.3	179.9	176.5	-179.5	0	112.8	D477 R478 V479	D477-K481 VanDerWaalsContact O-CB 3.3Å; D477-K481 WeakPolarHBondContact O-CB 3.33Å; D477-K481 PolarHBondContact O-N 2.73Å; R478-K481 PolarHBondContact O-N 3.39Å; V479-K481 VanDerWaalsContact C-N 3.26Å; V479-K481 PolarHBondContact O-N 3.2Å
482	N	93.5	Very high	94.8	Very high	49 Å²	49	57.7 Å²	57.7	26%	0.262	28%	0.278	S	S	.	.	H	α-helix	trans	-102.1	-17.2	-167.7	-68.7	1.4	0	0	0	114.1	R478 V479	R478-N482 WeakPolarHBondContact O-CB 3.35Å; R478-N482 PolarHBondContact O-N 2.78Å; V479-N482 PolarHBondContact O-N 3.01Å
483	F	95.4	Very high	94.7	Very high	14 Å²	14	55.5 Å²	55.5	6%	0.061	27%	0.267	C	S	.	.			trans	-136.1	142.3	-175	-52.3	-67.8	0	0	0	111.4	V440 V479 T488 V489 L492 D528 V533 L537	V440-F483 HydrophobicContact CG2-CE2 4.27Å; V440-F483 HydrophobicContact CG2-CZ 4.16Å; V479-F483 HydrophobicContact CG1-CD2 4.33Å; V479-F483 PolarHBondContact O-N 3.29Å; F483-T488 HydrophobicContact CD1-CG2 3.63Å; F483-T488 HydrophobicContact CE1-CG2 4.09Å; F483-T488 HydrophobicContact CG-CG2 4.31Å; F483-V489 HydrophobicContact CD2-CG2 3.95Å; F483-V489 HydrophobicContact CE2-CG2 3.92Å; F483-L492 HydrophobicContact CE1-CD2 3.91Å; F483-L492 HydrophobicContact CZ-CD2 3.83Å; F483-D528 WeakPolarHBondContact CA-OD2 3.29Å; F483-V533 HydrophobicContact CD1-CG2 4.21Å; F483-V533 HydrophobicContact CE1-CG1 3.98Å; F483-V533 HydrophobicContact CE1-CG2 4.11Å; F483-L537 HydrophobicContact CE1-CD2 4.02Å; F483-L537 HydrophobicContact CZ-CD2 3.9Å
484	H	93.9	Very high	94.5	Very high	131 Å²	131	51.7 Å²	51.7	61%	0.606	25%	0.246	S	C	*	.	S	Bend	trans	-75	-35.1	173	-61.9	80.2	0	0	0	111.2	D528	H484-D528 IonicContact CE1-OD2 3.89Å; H484-D528 IonicContact CG-OD2 3.55Å; H484-D528 VanDerWaalsContact N-CG 3.3Å; H484-D528 PolarHBondContact N-OD1 3.08Å; H484-D528 PolarHBondContact N-OD2 2.99Å; H484-D528 IonicContact ND1-OD2 2.78Å; H484-D528 PolarHBondContact ND1-OD2 3.1Å
485	S	92.7	Very high	94.3	Very high	15 Å²	15	50.7 Å²	50.7	11%	0.105	24%	0.242	C	C	.	.			trans	-119.1	136.1	174.7	179.7	0	0	0	0	112.3	E487 T488 D528 S529	S485-E487 PolarHBondContact O-N 3.06Å; S485-E487 WeakPolarHBondContact OG-CB 3.36Å; S485-E487 PolarHBondContact OG-N 2.91Å; S485-T488 VanDerWaalsContact O-CB 3.22Å; S485-T488 WeakPolarHBondContact O-CB 3.5Å; S485-T488 PolarHBondContact O-N 3.15Å; S485-T488 PolarHBondContact O-OG1 3.27Å; S485-D528 PolarHBondContact N-OD1 2.99Å; S485-S529 VanDerWaalsContact CB-OG 3.23Å; S485-S529 WeakPolarHBondContact CB-OG 3.42Å
486	P	93.2	Very high	94.2	Very high	64 Å²	64	50.4 Å²	50.4	42%	0.416	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-32.9	170.7	21.1	-30.1	0	0	0	112.8	H468 I472 V479 T488 V489	H468-P486 PolarHBondContact CD2-O 3.19Å; H468-P486 PolarHBondContact NE2-O 2.85Å; I472-P486 HydrophobicContact CD1-CB 3.3Å; I472-P486 HydrophobicContact CG1-CB 4.43Å; V479-P486 HydrophobicContact CG1-CB 4.36Å; P486-T488 PolarHBondContact O-N 2.78Å; P486-T488 VanDerWaalsContact O-N 3.12Å; P486-V489 WeakPolarHBondContact O-CB 3.43Å; P486-V489 WeakPolarHBondContact O-CG2 3.35Å; P486-V489 PolarHBondContact O-N 2.91Å; P486-V489 VanDerWaalsContact O-N 3.08Å
487	E	91.4	Very high	93.9	Very high	124 Å²	124	48.4 Å²	48.4	58%	0.579	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.1	-179.2	-60.4	178.7	169.6	0	0	112.7	S485 V489 E490 V491	S485-E487 PolarHBondContact O-N 3.06Å; S485-E487 WeakPolarHBondContact OG-CB 3.36Å; S485-E487 PolarHBondContact OG-N 2.91Å; E487-V489 PolarHBondContact O-N 3.23Å; E487-E490 WeakPolarHBondContact O-CB 3.34Å; E487-E490 PolarHBondContact O-N 2.8Å; E487-E490 VanDerWaalsContact O-N 3.13Å; E487-V491 PolarHBondContact O-N 3.25Å
488	T	93.6	Very high	93.6	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.012	21%	0.205	C	C	.	.	H	α-helix	trans	-57.1	-31.1	176.1	-53.6	0	0	0	0	112	F483 S485 P486 E490 V491 L492 I527 D528 V533	F483-T488 HydrophobicContact CD1-CG2 3.63Å; F483-T488 HydrophobicContact CE1-CG2 4.09Å; F483-T488 HydrophobicContact CG-CG2 4.31Å; S485-T488 VanDerWaalsContact O-CB 3.22Å; S485-T488 WeakPolarHBondContact O-CB 3.5Å; S485-T488 PolarHBondContact O-N 3.15Å; S485-T488 PolarHBondContact O-OG1 3.27Å; P486-T488 PolarHBondContact O-N 2.78Å; P486-T488 VanDerWaalsContact O-N 3.12Å; T488-E490 PolarHBondContact O-N 3.03Å; T488-V491 PolarHBondContact O-N 3.03Å; T488-L492 WeakPolarHBondContact O-CB 3.39Å; T488-L492 PolarHBondContact O-N 2.92Å; T488-I527 HydrophobicContact CG2-CD1 4.22Å; T488-I527 HydrophobicContact CG2-CG1 4.1Å; T488-D528 WeakPolarHBondContact CB-OD1 3.19Å; T488-D528 HydrophobicContact CG2-CB 3.75Å; T488-D528 WeakPolarHBondContact OG1-CA 3.45Å; T488-D528 PolarHBondContact OG1-OD1 3.28Å; T488-V533 HydrophobicContact CG2-CG2 3.84Å
489	V	95.7	Very high	93.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.6	-43.4	177.8	177.3	0	0	0	0	111.6	V440 F467 Y471 V479 F483 P486 E487 A493	V440-V489 HydrophobicContact CG1-CG1 4.45Å; V440-V489 HydrophobicContact CG2-CG1 4.29Å; F467-V489 HydrophobicContact CE1-CG1 4.33Å; Y471-V489 HydrophobicContact CD1-CG1 3.66Å; Y471-V489 HydrophobicContact CD1-CG2 4.28Å; Y471-V489 HydrophobicContact CE1-CG1 4.18Å; Y471-V489 HydrophobicContact CE1-CG2 4.36Å; Y471-V489 HydrophobicContact CG-CG1 4.19Å; V479-V489 HydrophobicContact CG1-CG2 4.35Å; V479-V489 HydrophobicContact CG2-CG2 4.13Å; F483-V489 HydrophobicContact CD2-CG2 3.95Å; F483-V489 HydrophobicContact CE2-CG2 3.92Å; P486-V489 WeakPolarHBondContact O-CB 3.43Å; P486-V489 WeakPolarHBondContact O-CG2 3.35Å; P486-V489 PolarHBondContact O-N 2.91Å; P486-V489 VanDerWaalsContact O-N 3.08Å; E487-V489 PolarHBondContact O-N 3.23Å; V489-A493 VanDerWaalsContact O-CB 3.25Å; V489-A493 WeakPolarHBondContact O-CB 3.34Å; V489-A493 PolarHBondContact O-N 2.73Å
490	E	93.9	Very high	93.3	Very high	25 Å²	25	41 Å²	41	12%	0.117	19%	0.191	C	C	.	.	H	α-helix	trans	-62.6	-47.6	179.6	-171.7	171.7	167.4	0	0	111.3	M14 M464 K465 H468 E487 T488 A493 Y494	M14-E490 HydrophobicContact CE-CG 3.81Å; M14-E490 WeakPolarHBondContact CE-OE1 3.49Å; M14-E490 HydrophobicContact SD-CB 4.35Å; M14-E490 VanDerWaalsContact SD-CD 3.54Å; M14-E490 HydrophobicContact SD-CG 3.68Å; M14-E490 VanDerWaalsContact SD-OE1 3.41Å; M464-E490 HydrophobicContact CB-CG 4.23Å; K465-E490 WeakPolarHBondContact CB-OE1 3.46Å; H468-E490 HydrophobicContact CB-CB 3.7Å; H468-E490 HydrophobicContact CB-CG 4.2Å; H468-E490 IonicContact CE1-OE2 3.6Å; H468-E490 IonicContact CG-OE2 3.43Å; H468-E490 IonicContact ND1-OE2 3.05Å; H468-E490 PolarHBondContact ND1-OE2 2.95Å; E487-E490 WeakPolarHBondContact O-CB 3.34Å; E487-E490 PolarHBondContact O-N 2.8Å; E487-E490 VanDerWaalsContact O-N 3.13Å; T488-E490 PolarHBondContact O-N 3.03Å; E490-A493 PolarHBondContact O-N 3.12Å; E490-Y494 PolarHBondContact O-N 3.42Å; E490-Y494 VanDerWaalsContact O-N 3.09Å
491	V	92.1	Very high	92.9	Very high	13 Å²	13	32.9 Å²	32.9	8%	0.079	16%	0.161	C	C	.	.	H	α-helix	trans	-64.3	-45.5	-179.4	-179	0	0	0	0	110.6	M14 V18 E487 T488 Y494 S495 I527	M14-V491 HydrophobicContact SD-CG2 4Å; V18-V491 HydrophobicContact CG2-CB 4.48Å; V18-V491 HydrophobicContact CG2-CG1 3.17Å; E487-V491 PolarHBondContact O-N 3.25Å; T488-V491 PolarHBondContact O-N 3.03Å; V491-Y494 PolarHBondContact O-N 3.44Å; V491-S495 PolarHBondContact O-N 2.83Å; V491-I527 HydrophobicContact CG1-CB 4.16Å; V491-I527 HydrophobicContact CG1-CG2 4.28Å
492	L	95.4	Very high	92.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-66	-43.5	178	-177.6	61.1	0	0	0	111.6	V440 F483 T488 Y494 S495 V496 I527 L538 I541	V440-L492 HydrophobicContact CB-CD2 4.37Å; V440-L492 HydrophobicContact CG1-CD2 4.49Å; V440-L492 HydrophobicContact CG1-CG 4.48Å; V440-L492 HydrophobicContact CG2-CD2 4.25Å; F483-L492 HydrophobicContact CE1-CD2 3.91Å; F483-L492 HydrophobicContact CZ-CD2 3.83Å; T488-L492 WeakPolarHBondContact O-CB 3.39Å; T488-L492 PolarHBondContact O-N 2.92Å; L492-Y494 VanDerWaalsContact C-N 3.3Å; L492-Y494 PolarHBondContact O-N 3.33Å; L492-S495 WeakPolarHBondContact O-CA 3.42Å; L492-S495 WeakPolarHBondContact O-CB 3.45Å; L492-S495 PolarHBondContact O-N 3Å; L492-S495 VanDerWaalsContact O-N 3.12Å; L492-V496 WeakPolarHBondContact O-CG2 3.46Å; L492-V496 PolarHBondContact O-N 3.14Å; L492-I527 HydrophobicContact CB-CD1 4.35Å; L492-I527 HydrophobicContact CD1-CD1 4.26Å; L492-L538 HydrophobicContact CD1-CD2 3.83Å; L492-I541 HydrophobicContact CD1-CD1 4.37Å; L492-I541 HydrophobicContact CD2-CD1 4.08Å; L492-I541 HydrophobicContact CG-CD1 4.47Å
493	A	95	Very high	92.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.8	-41.4	176.9	0	0	0	0	0	111.8	V440 L444 M464 F467 V489 E490 V496 L497	V440-A493 HydrophobicContact CG1-CB 4.07Å; L444-A493 HydrophobicContact CD2-CB 4.35Å; M464-A493 HydrophobicContact SD-CB 3.86Å; F467-A493 HydrophobicContact CD1-CB 3.85Å; F467-A493 HydrophobicContact CE1-CB 3.75Å; V489-A493 VanDerWaalsContact O-CB 3.25Å; V489-A493 WeakPolarHBondContact O-CB 3.34Å; V489-A493 PolarHBondContact O-N 2.73Å; E490-A493 PolarHBondContact O-N 3.12Å; A493-V496 PolarHBondContact O-N 3Å; A493-L497 PolarHBondContact O-N 2.96Å; A493-L497 VanDerWaalsContact O-N 3.16Å
494	Y	91	Very high	92.3	Very high	23 Å²	23	24.1 Å²	24.1	9%	0.09	12%	0.122	C	C	.	.	H	α-helix	trans	-62.5	-43.9	173.5	-164.7	-93	0	0	0	111.8	F15 I460 M464 E490 V491 L492 V496 L497 L498	F15-Y494 HydrophobicContact CE1-CE1 4.07Å; F15-Y494 AromaticContact CE1-CZ 3.71Å; F15-Y494 WeakPolarHBondContact CE1-OH 3.23Å; F15-Y494 HydrophobicContact CZ-CE1 4.43Å; F15-Y494 HydrophobicContact CZ-CE2 4.28Å; F15-Y494 AromaticContact CZ-CZ 3.75Å; F15-Y494 VanDerWaalsContact CZ-OH 3.24Å; F15-Y494 WeakPolarHBondContact CZ-OH 3.42Å; I460-Y494 HydrophobicContact CG2-CD2 4.15Å; I460-Y494 HydrophobicContact CG2-CE2 3.79Å; M464-Y494 HydrophobicContact CG-CD2 3.94Å; E490-Y494 PolarHBondContact O-N 3.42Å; E490-Y494 VanDerWaalsContact O-N 3.09Å; V491-Y494 PolarHBondContact O-N 3.44Å; L492-Y494 VanDerWaalsContact C-N 3.3Å; L492-Y494 PolarHBondContact O-N 3.33Å; Y494-V496 VanDerWaalsContact C-N 3.34Å; Y494-V496 PolarHBondContact O-N 3.31Å; Y494-L497 PolarHBondContact O-N 3.49Å; Y494-L498 HydrophobicContact CD1-CD1 3.9Å; Y494-L498 HydrophobicContact CD1-CG 4.2Å; Y494-L498 HydrophobicContact CE1-CD1 3.74Å; Y494-L498 HydrophobicContact CE1-CD2 4.23Å; Y494-L498 HydrophobicContact CE1-CG 4.01Å; Y494-L498 WeakPolarHBondContact O-CG 3.4Å; Y494-L498 PolarHBondContact O-N 2.73Å; Y494-L498 VanDerWaalsContact O-N 3.11Å
495	S	93.7	Very high	91.7	Very high	6 Å²	6	18 Å²	18	4%	0.042	9%	0.094	C	C	.	.	H	α-helix	trans	-59.5	-41.3	175.7	-169.3	0	0	0	0	112.6	V491 L492 L497 L498 L499 F520 N524	V491-S495 PolarHBondContact O-N 2.83Å; L492-S495 WeakPolarHBondContact O-CA 3.42Å; L492-S495 WeakPolarHBondContact O-CB 3.45Å; L492-S495 PolarHBondContact O-N 3Å; L492-S495 VanDerWaalsContact O-N 3.12Å; S495-L497 PolarHBondContact O-N 2.84Å; S495-L498 PolarHBondContact O-N 3.38Å; S495-L499 PolarHBondContact O-N 2.95Å; S495-F520 WeakPolarHBondContact OG-CE2 3.44Å; S495-N524 VanDerWaalsContact CB-OD1 3.24Å; S495-N524 WeakPolarHBondContact CB-OD1 3.18Å; S495-N524 VanDerWaalsContact OG-CG 3.31Å; S495-N524 PolarHBondContact OG-ND2 3.47Å; S495-N524 VanDerWaalsContact OG-ND2 3.12Å; S495-N524 PolarHBondContact OG-OD1 2.99Å
496	V	94.8	Very high	91.3	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.6	-41	175.5	171.2	0	0	0	0	111.8	D441 L444 L492 A493 Y494 L499 H500 I541 I545 F550	D441-V496 HydrophobicContact CB-CG1 3.98Å; D441-V496 HydrophobicContact CB-CG2 4.38Å; L444-V496 HydrophobicContact CD2-CB 4.2Å; L444-V496 HydrophobicContact CD2-CG1 3.97Å; L492-V496 WeakPolarHBondContact O-CG2 3.46Å; L492-V496 PolarHBondContact O-N 3.14Å; A493-V496 PolarHBondContact O-N 3Å; Y494-V496 VanDerWaalsContact C-N 3.34Å; Y494-V496 PolarHBondContact O-N 3.31Å; V496-L499 WeakPolarHBondContact O-CB 3.49Å; V496-L499 PolarHBondContact O-N 3.45Å; V496-H500 PolarHBondContact O-N 2.75Å; V496-I541 HydrophobicContact CG2-CG2 3.62Å; V496-I545 HydrophobicContact CG1-CD1 3.73Å; V496-I545 HydrophobicContact CG1-CG1 4.07Å; V496-F550 HydrophobicContact CG1-CE2 4.17Å; V496-F550 HydrophobicContact CG1-CZ 3.79Å
497	L	90.7	Very high	90.5	Very high	15 Å²	15	18.7 Å²	18.7	8%	0.079	10%	0.096	C	C	.	.	H	α-helix	trans	-68	-35.7	178	-172.4	62.2	0	0	0	112.4	I448 I460 M464 A493 Y494 S495 T501 F550	I448-L497 HydrophobicContact CD1-CD1 4.07Å; I460-L497 HydrophobicContact CD1-CD2 4.43Å; I460-L497 HydrophobicContact CG2-CD2 3.54Å; M464-L497 HydrophobicContact CE-CD2 4.13Å; A493-L497 PolarHBondContact O-N 2.96Å; A493-L497 VanDerWaalsContact O-N 3.16Å; Y494-L497 PolarHBondContact O-N 3.49Å; S495-L497 PolarHBondContact O-N 2.84Å; L497-T501 PolarHBondContact O-N 3.42Å; L497-T501 VanDerWaalsContact O-N 3.1Å; L497-T501 PolarHBondContact O-OG1 2.92Å; L497-F550 HydrophobicContact CD1-CD2 4.29Å; L497-F550 HydrophobicContact CD1-CE2 4.4Å
498	L	89.7	Confident	89.7	Confident	24 Å²	24	13.6 Å²	13.6	13%	0.126	7%	0.073	C	C	.	.	H	α-helix	trans	-66.2	-41.8	171.9	-66.6	178.3	0	0	0	111.7	L19 F28 Y494 S495 T501 D502	L19-L498 HydrophobicContact CD1-CD1 3.81Å; L19-L498 HydrophobicContact CD2-CD1 3.84Å; L19-L498 HydrophobicContact CG-CD1 4.13Å; F28-L498 HydrophobicContact CZ-CD2 4.44Å; Y494-L498 HydrophobicContact CD1-CD1 3.9Å; Y494-L498 HydrophobicContact CD1-CG 4.2Å; Y494-L498 HydrophobicContact CE1-CD1 3.74Å; Y494-L498 HydrophobicContact CE1-CD2 4.23Å; Y494-L498 HydrophobicContact CE1-CG 4.01Å; Y494-L498 WeakPolarHBondContact O-CG 3.4Å; Y494-L498 PolarHBondContact O-N 2.73Å; Y494-L498 VanDerWaalsContact O-N 3.11Å; S495-L498 PolarHBondContact O-N 3.38Å; L498-T501 WeakPolarHBondContact O-CB 3.41Å; L498-T501 PolarHBondContact O-N 2.69Å; L498-D502 PolarHBondContact O-N 3.42Å
499	L	93.7	Very high	88.6	Confident	1 Å²	1	15.3 Å²	15.3	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-60.5	-47.5	174.9	178.5	66.8	0	0	0	111.3	S495 V496 T501 D502 L503 M515 F520 Y542 I545	S495-L499 PolarHBondContact O-N 2.95Å; V496-L499 WeakPolarHBondContact O-CB 3.49Å; V496-L499 PolarHBondContact O-N 3.45Å; L499-T501 PolarHBondContact O-N 3.35Å; L499-D502 PolarHBondContact O-N 3.49Å; L499-D502 VanDerWaalsContact O-N 3.15Å; L499-L503 HydrophobicContact CD1-CD1 3.75Å; L499-L503 HydrophobicContact CD1-CD2 4.45Å; L499-L503 HydrophobicContact CD1-CG 3.86Å; L499-L503 HydrophobicContact CD2-CD1 4.38Å; L499-L503 HydrophobicContact CG-CD1 3.85Å; L499-L503 HydrophobicContact CG-CG 4.25Å; L499-L503 WeakPolarHBondContact O-CB 3.45Å; L499-L503 WeakPolarHBondContact O-CG 3.43Å; L499-L503 PolarHBondContact O-N 3.36Å; L499-M515 HydrophobicContact CD1-CB 4.37Å; L499-M515 HydrophobicContact CD1-CG 4.49Å; L499-M515 HydrophobicContact CD1-SD 4.01Å; L499-F520 HydrophobicContact CB-CD2 4.07Å; L499-F520 HydrophobicContact CB-CE2 3.93Å; L499-F520 HydrophobicContact CD1-CB 4.42Å; L499-F520 HydrophobicContact CD1-CD2 4Å; L499-F520 HydrophobicContact CD1-CG 4.34Å; L499-F520 HydrophobicContact CD2-CD1 4.28Å; L499-F520 HydrophobicContact CD2-CD2 3.82Å; L499-F520 HydrophobicContact CD2-CE1 4.28Å; L499-F520 HydrophobicContact CD2-CE2 3.82Å; L499-F520 HydrophobicContact CD2-CG 4.06Å; L499-F520 HydrophobicContact CD2-CZ 4.05Å; L499-F520 HydrophobicContact CG-CD2 4.17Å; L499-F520 HydrophobicContact CG-CE2 4.33Å; L499-Y542 HydrophobicContact CD1-CD2 3.76Å; L499-Y542 HydrophobicContact CD1-CE2 3.74Å; L499-Y542 HydrophobicContact CD2-CD2 3.79Å; L499-Y542 HydrophobicContact CD2-CG 4.41Å; L499-Y542 HydrophobicContact CG-CD2 4.4Å; L499-I545 HydrophobicContact CD2-CB 4.13Å; L499-I545 HydrophobicContact CD2-CG1 4.41Å; L499-I545 HydrophobicContact CD2-CG2 4.2Å; L499-I545 HydrophobicContact CG-CG2 4.17Å
500	H	91.4	Very high	87.6	Confident	1 Å²	1	23.3 Å²	23.3	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-51.9	-47.5	174.7	166.9	-83.1	0	0	0	111.2	I233 V496 L503 H504 I545 F550	I233-H500 WeakPolarHBondContact CG2-CE1 3.43Å; V496-H500 PolarHBondContact O-N 2.75Å; H500-L503 PolarHBondContact O-N 2.6Å; H500-H504 AromaticContact CD2-CD2 3.69Å; H500-H504 AromaticContact NE2-CD2 3.99Å; H500-H504 WeakPolarHBondContact O-CB 3.48Å; H500-H504 PolarHBondContact O-CD2 3.01Å; H500-H504 PolarHBondContact O-N 3.24Å; H500-I545 HydrophobicContact CB-CG2 4.1Å; H500-F550 HydrophobicContact CB-CD2 4.01Å; H500-F550 HydrophobicContact CB-CE2 4.13Å; H500-F550 AromaticContact CD2-CD2 3.64Å; H500-F550 AromaticContact CD2-CG 3.62Å; H500-F550 PolarHBondContact CD2-N 3.47Å; H500-F550 AromaticContact CG-CD2 3.72Å; H500-F550 PolarHBondContact NE2-N 3.27Å
501	T	86.5	Confident	86.4	Confident	5 Å²	5	28 Å²	28	3%	0.031	15%	0.15	C	C	.	.	H	α-helix	trans	-63	-45.8	179.1	-57.9	0	0	0	0	111.7	V237 L497 L498 L499 L503 N505	V237-T501 HydrophobicContact CB-CG2 3.49Å; V237-T501 VanDerWaalsContact CB-CG2 3.49Å; V237-T501 HydrophobicContact CG1-CG2 3.62Å; V237-T501 HydrophobicContact CG2-CG2 3.58Å; V237-T501 WeakPolarHBondContact CG2-OG1 3.43Å; L497-T501 PolarHBondContact O-N 3.42Å; L497-T501 VanDerWaalsContact O-N 3.1Å; L497-T501 PolarHBondContact O-OG1 2.92Å; L498-T501 WeakPolarHBondContact O-CB 3.41Å; L498-T501 PolarHBondContact O-N 2.69Å; L499-T501 PolarHBondContact O-N 3.35Å; T501-L503 VanDerWaalsContact C-N 3.34Å; T501-L503 PolarHBondContact O-N 3.46Å; T501-N505 HydrophobicContact CG2-CB 4.22Å; T501-N505 WeakPolarHBondContact O-CB 3.43Å; T501-N505 PolarHBondContact O-N 2.6Å
502	D	89.3	Confident	85.6	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61	-43	179.2	179.6	86.7	0	0	0	112.5	Y27 L498 L499 V508 R514 M515	Y27-D502 HydrophobicContact CE1-CB 4.1Å; Y27-D502 VanDerWaalsContact OH-CG 3.28Å; Y27-D502 PolarHBondContact OH-OD1 3.29Å; L498-D502 PolarHBondContact O-N 3.42Å; L499-D502 PolarHBondContact O-N 3.49Å; L499-D502 VanDerWaalsContact O-N 3.15Å; D502-V508 VanDerWaalsContact OD1-CG1 3.25Å; D502-V508 WeakPolarHBondContact OD1-CG1 3.28Å; D502-R514 WeakPolarHBondContact OD2-CA 3.49Å; D502-M515 VanDerWaalsContact OD2-CB 3.26Å; D502-M515 WeakPolarHBondContact OD2-CB 3.49Å; D502-M515 PolarHBondContact OD2-N 2.96Å
503	L	91.2	Very high	85.1	Confident	13 Å²	13	36.9 Å²	36.9	7%	0.068	20%	0.196	C	C	.	.	H	α-helix	trans	-77.7	-34.1	-176	-65.5	-176.7	0	0	0	113.4	L499 H500 T501 R514 Y542 I545 A546	L499-L503 HydrophobicContact CD1-CD1 3.75Å; L499-L503 HydrophobicContact CD1-CD2 4.45Å; L499-L503 HydrophobicContact CD1-CG 3.86Å; L499-L503 HydrophobicContact CD2-CD1 4.38Å; L499-L503 HydrophobicContact CG-CD1 3.85Å; L499-L503 HydrophobicContact CG-CG 4.25Å; L499-L503 WeakPolarHBondContact O-CB 3.45Å; L499-L503 WeakPolarHBondContact O-CG 3.43Å; L499-L503 PolarHBondContact O-N 3.36Å; H500-L503 PolarHBondContact O-N 2.6Å; T501-L503 VanDerWaalsContact C-N 3.34Å; T501-L503 PolarHBondContact O-N 3.46Å; L503-R514 HydrophobicContact CD2-CB 4.4Å; L503-R514 PolarHBondContact O-NH1 2.96Å; L503-R514 PolarHBondContact O-NH2 2.91Å; L503-Y542 HydrophobicContact CD1-CE2 4.23Å; L503-Y542 HydrophobicContact CD2-CE2 4.44Å; L503-I545 HydrophobicContact CD1-CG2 4.18Å; L503-A546 HydrophobicContact CD1-CB 3.9Å
504	H	88.6	Confident	84.8	Confident	45 Å²	45	42 Å²	42	21%	0.208	22%	0.216	C	C	.	.	H	α-helix	trans	-110.7	-13.5	-171.2	-62	-62.2	0	0	0	114.6	H500 P506 I545 E549	H500-H504 AromaticContact CD2-CD2 3.69Å; H500-H504 AromaticContact NE2-CD2 3.99Å; H500-H504 WeakPolarHBondContact O-CB 3.48Å; H500-H504 PolarHBondContact O-CD2 3.01Å; H500-H504 PolarHBondContact O-N 3.24Å; H504-P506 WeakPolarHBondContact O-CD 3.48Å; H504-I545 PolarHBondContact NE2-O 3.38Å; H504-E549 HydrophobicContact CB-CB 4.11Å; H504-E549 WeakPolarHBondContact NE2-CA 3.28Å
505	N	83.2	Confident	84.7	Confident	3 Å²	3	42 Å²	42	2%	0.016	22%	0.217	C	C	.	.			trans	-76.1	120.3	174.4	-171.4	-24.9	0	0	0	110.7	T501 N507 V508	T501-N505 HydrophobicContact CG2-CB 4.22Å; T501-N505 WeakPolarHBondContact O-CB 3.43Å; T501-N505 PolarHBondContact O-N 2.6Å; N505-N507 PolarHBondContact O-N 3.05Å; N505-N507 WeakPolarHBondContact OD1-CB 3.35Å; N505-N507 PolarHBondContact OD1-N 3.48Å; N505-V508 HydrophobicContact CB-CG2 3.92Å; N505-V508 PolarHBondContact O-N 2.9Å
506	P	82.4	Confident	84.8	Confident	56 Å²	56	44.5 Å²	44.5	36%	0.364	23%	0.232	S	C	.	.	H	α-helix	trans	-64.1	-23.6	179.6	26.1	-34.9	0	0	0	113.4	H504	H504-P506 WeakPolarHBondContact O-CD 3.48Å
507	N	77.9	Confident	84.8	Confident	36 Å²	36	47.5 Å²	47.5	19%	0.193	25%	0.245	C	C	.	.	H	α-helix	trans	-74.6	-30.3	-179.7	-64.4	-27.1	0	0	0	112.5	N505 G509 K510 M511	N505-N507 PolarHBondContact O-N 3.05Å; N505-N507 WeakPolarHBondContact OD1-CB 3.35Å; N505-N507 PolarHBondContact OD1-N 3.48Å; N507-G509 PolarHBondContact O-N 2.9Å; N507-K510 WeakPolarHBondContact O-CB 3.45Å; N507-K510 PolarHBondContact O-N 3.29Å; N507-M511 PolarHBondContact O-N 3.22Å
508	V	74.4	Confident	85.1	Confident	17 Å²	17	51.4 Å²	51.4	10%	0.103	26%	0.263	C	S	.	.	H	α-helix	trans	-66	-40.8	179.2	176.1	0	0	0	0	111	D502 N505 K510 M511 G512	D502-V508 VanDerWaalsContact OD1-CG1 3.25Å; D502-V508 WeakPolarHBondContact OD1-CG1 3.28Å; N505-V508 HydrophobicContact CB-CG2 3.92Å; N505-V508 PolarHBondContact O-N 2.9Å; V508-K510 PolarHBondContact O-N 3.24Å; V508-M511 PolarHBondContact O-N 3.2Å; V508-M511 VanDerWaalsContact O-N 3.11Å; V508-G512 PolarHBondContact O-N 3.02Å; V508-G512 VanDerWaalsContact O-N 3.15Å
509	G	71.2	Confident	85.3	Confident	39 Å²	39	51.1 Å²	51.1	40%	0.402	27%	0.266	S	S	.	.	H	α-helix	trans	-63.1	-26.3	176.5	0	0	0	0	0	113.6	N507	N507-G509 PolarHBondContact O-N 2.9Å
510	K	72.9	Confident	85.4	Confident	167 Å²	167	51.1 Å²	51.1	73%	0.726	27%	0.266	S	S	*	.	H	α-helix	trans	-77.8	-31.8	175.1	-63.5	175.4	-175.9	170.5	0	112.5	N507 V508	N507-K510 WeakPolarHBondContact O-CB 3.45Å; N507-K510 PolarHBondContact O-N 3.29Å; V508-K510 PolarHBondContact O-N 3.24Å
511	M	69.7	Low	85.6	Confident	124 Å²	124	51.6 Å²	51.6	61%	0.611	27%	0.268	S	S	*	.	H	α-helix	trans	-85.6	-11.2	-178.6	-67.3	-174.6	174	0	0	113.4	T241 N507 V508	T241-M511 HydrophobicContact CG2-CE 4.31Å; N507-M511 PolarHBondContact O-N 3.22Å; V508-M511 PolarHBondContact O-N 3.2Å; V508-M511 VanDerWaalsContact O-N 3.11Å
512	G	75.7	Confident	86	Confident	32 Å²	32	54.8 Å²	54.8	33%	0.33	29%	0.285	S	S	.	.	S	Bend	trans	158.6	-166.6	170.7	0	0	0	0	0	113.5	V508 R514	V508-G512 PolarHBondContact O-N 3.02Å; V508-G512 VanDerWaalsContact O-N 3.15Å; G512-R514 PolarHBondContact O-N 3.38Å
513	K	84.3	Confident	86.1	Confident	167 Å²	167	56.4 Å²	56.4	73%	0.726	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-64	133	178	-164	179.2	178.7	177	0	110.5	K26	K26-K513 PolarHBondContact NZ-O 3.5Å
514	R	88.7	Confident	86.3	Confident	109 Å²	109	55.9 Å²	55.9	41%	0.411	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-65	154.1	168.8	-66.8	-178.2	173.1	-175.8	-8.9	110.6	D502 L503 G512 T516	D502-R514 WeakPolarHBondContact OD2-CA 3.49Å; L503-R514 HydrophobicContact CD2-CB 4.4Å; L503-R514 PolarHBondContact O-NH1 2.96Å; L503-R514 PolarHBondContact O-NH2 2.91Å; G512-R514 PolarHBondContact O-N 3.38Å; R514-T516 PolarHBondContact O-N 3.03Å
515	M	89.8	Confident	86.5	Confident	21 Å²	21	60.6 Å²	60.6	10%	0.103	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-61.3	121.5	178.1	-167.4	176.1	-49.7	0	0	109.7	L23 L499 D502 F520 N523 Y542	L23-M515 HydrophobicContact CD2-CE 3.75Å; L499-M515 HydrophobicContact CD1-CB 4.37Å; L499-M515 HydrophobicContact CD1-CG 4.49Å; L499-M515 HydrophobicContact CD1-SD 4.01Å; D502-M515 VanDerWaalsContact OD2-CB 3.26Å; D502-M515 WeakPolarHBondContact OD2-CB 3.49Å; D502-M515 PolarHBondContact OD2-N 2.96Å; M515-F520 HydrophobicContact CG-CB 4.28Å; M515-F520 HydrophobicContact SD-CB 3.83Å; M515-F520 HydrophobicContact SD-CD2 3.96Å; M515-F520 HydrophobicContact SD-CG 4.42Å; M515-N523 WeakPolarHBondContact CE-ND2 3.36Å; M515-N523 PolarHBondContact SD-ND2 3.4Å; M515-Y542 WeakPolarHBondContact O-CE2 3.47Å; M515-Y542 PolarHBondContact O-OH 3.03Å
516	T	94.5	Very high	86.8	Confident	60 Å²	60	61.9 Å²	61.9	37%	0.368	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-75.7	161.1	172.6	58.9	0	0	0	0	110	R514 Q518 G519 F520	R514-T516 PolarHBondContact O-N 3.03Å; T516-Q518 VanDerWaalsContact C-N 3.29Å; T516-Q518 PolarHBondContact O-N 3.18Å; T516-G519 CarbonylContact O-C 3.53Å; T516-G519 WeakPolarHBondContact O-CA 3.37Å; T516-G519 PolarHBondContact O-N 3.3Å; T516-G519 PolarHBondContact OG1-N 2.93Å; T516-G519 VanDerWaalsContact OG1-N 3.12Å; T516-F520 PolarHBondContact O-N 2.98Å
517	K	96.3	Very high	87.3	Confident	62 Å²	62	59.8 Å²	59.8	27%	0.27	31%	0.306	S	S	.	.	H	α-helix	trans	-49	-50.1	172.3	-178.4	-176.6	-78.7	-159.6	0	111.9	G519 F520 I521 E539 Y542 D543	K517-G519 VanDerWaalsContact C-N 3.29Å; K517-G519 PolarHBondContact O-N 2.9Å; K517-F520 WeakPolarHBondContact O-CB 3.29Å; K517-F520 PolarHBondContact O-N 3.21Å; K517-F520 VanDerWaalsContact O-N 3.13Å; K517-I521 HydrophobicContact CG-CD1 4.34Å; K517-I521 PolarHBondContact O-N 3.43Å; K517-E539 HydrophobicContact CD-CB 4.22Å; K517-E539 HydrophobicContact CD-CG 3.81Å; K517-E539 HydrophobicContact CG-CG 4.16Å; K517-E539 IonicContact NZ-OE2 2.71Å; K517-Y542 HydrophobicContact CB-CD1 3.75Å; K517-Y542 HydrophobicContact CB-CD2 4.39Å; K517-Y542 HydrophobicContact CB-CE1 3.8Å; K517-Y542 HydrophobicContact CB-CE2 4.42Å; K517-Y542 HydrophobicContact CB-CG 4.07Å; K517-Y542 HydrophobicContact CG-CD1 4.05Å; K517-Y542 HydrophobicContact CG-CG 4.16Å; K517-Y542 VanDerWaalsContact N-CZ 3.29Å; K517-Y542 PolarHBondContact N-OH 3.21Å; K517-D543 WeakPolarHBondContact CE-OD1 3.49Å; K517-D543 IonicContact NZ-OD1 3.64Å; K517-D543 PolarHBondContact NZ-OD1 2.67Å; K517-D543 IonicContact NZ-OD2 2.89Å; K517-D543 PolarHBondContact NZ-OD2 2.94Å
518	Q	95.9	Very high	88	Confident	98 Å²	98	58.1 Å²	58.1	46%	0.458	30%	0.297	S	S	.	.	H	α-helix	trans	-61.5	-36.4	175.1	-169.6	61	49.6	0	0	113	T516 F520 I521 N522	T516-Q518 VanDerWaalsContact C-N 3.29Å; T516-Q518 PolarHBondContact O-N 3.18Å; Q518-F520 VanDerWaalsContact C-N 3.34Å; Q518-I521 PolarHBondContact O-N 2.72Å; Q518-N522 PolarHBondContact NE2-OD1 3.43Å; Q518-N522 WeakPolarHBondContact O-CB 3.41Å; Q518-N522 PolarHBondContact O-N 2.99Å; Q518-N522 PolarHBondContact O-ND2 2.71Å; Q518-N522 PolarHBondContact O-OD1 3Å
519	G	94	Very high	88.7	Confident	18 Å²	18	60.5 Å²	60.5	19%	0.186	32%	0.315	C	S	.	.	H	α-helix	trans	-62.3	-42.1	174.8	0	0	0	0	0	112	T516 K517 N522 N523	T516-G519 CarbonylContact O-C 3.53Å; T516-G519 WeakPolarHBondContact O-CA 3.37Å; T516-G519 PolarHBondContact O-N 3.3Å; T516-G519 PolarHBondContact OG1-N 2.93Å; T516-G519 VanDerWaalsContact OG1-N 3.12Å; K517-G519 VanDerWaalsContact C-N 3.29Å; K517-G519 PolarHBondContact O-N 2.9Å; G519-N522 PolarHBondContact O-N 3.1Å; G519-N523 WeakPolarHBondContact O-CB 3.33Å; G519-N523 PolarHBondContact O-N 3.29Å; G519-N523 PolarHBondContact O-ND2 3.06Å; G519-N523 PolarHBondContact O-OD1 3.04Å
520	F	95.5	Very high	89.5	Confident	1 Å²	1	66 Å²	66	0%	0.004	34%	0.335	C	S	.	.	H	α-helix	trans	-64	-43.8	175.2	-179.1	-110.9	0	0	0	112	S495 L499 M515 T516 K517 Q518 N522 N523 N524 L538 I541 Y542	S495-F520 WeakPolarHBondContact OG-CE2 3.44Å; L499-F520 HydrophobicContact CB-CD2 4.07Å; L499-F520 HydrophobicContact CB-CE2 3.93Å; L499-F520 HydrophobicContact CD1-CB 4.42Å; L499-F520 HydrophobicContact CD1-CD2 4Å; L499-F520 HydrophobicContact CD1-CG 4.34Å; L499-F520 HydrophobicContact CD2-CD1 4.28Å; L499-F520 HydrophobicContact CD2-CD2 3.82Å; L499-F520 HydrophobicContact CD2-CE1 4.28Å; L499-F520 HydrophobicContact CD2-CE2 3.82Å; L499-F520 HydrophobicContact CD2-CG 4.06Å; L499-F520 HydrophobicContact CD2-CZ 4.05Å; L499-F520 HydrophobicContact CG-CD2 4.17Å; L499-F520 HydrophobicContact CG-CE2 4.33Å; M515-F520 HydrophobicContact CG-CB 4.28Å; M515-F520 HydrophobicContact SD-CB 3.83Å; M515-F520 HydrophobicContact SD-CD2 3.96Å; M515-F520 HydrophobicContact SD-CG 4.42Å; T516-F520 PolarHBondContact O-N 2.98Å; K517-F520 WeakPolarHBondContact O-CB 3.29Å; K517-F520 PolarHBondContact O-N 3.21Å; K517-F520 VanDerWaalsContact O-N 3.13Å; Q518-F520 VanDerWaalsContact C-N 3.34Å; F520-N522 PolarHBondContact O-N 3.37Å; F520-N523 PolarHBondContact O-N 3.25Å; F520-N524 WeakPolarHBondContact CD2-ND2 3.43Å; F520-N524 WeakPolarHBondContact CE2-ND2 3.4Å; F520-N524 WeakPolarHBondContact CZ-ND2 3.32Å; F520-N524 PolarHBondContact O-N 3.18Å; F520-N524 PolarHBondContact O-ND2 3.45Å; F520-L538 HydrophobicContact CD1-CB 4.42Å; F520-L538 HydrophobicContact CE1-CB 4.25Å; F520-L538 HydrophobicContact CE1-CD2 3.99Å; F520-L538 HydrophobicContact CZ-CD2 4.5Å; F520-I541 HydrophobicContact CE1-CB 4.42Å; F520-I541 HydrophobicContact CE1-CG2 3.95Å; F520-I541 HydrophobicContact CZ-CG2 3.98Å; F520-Y542 HydrophobicContact CB-CD2 3.75Å; F520-Y542 HydrophobicContact CB-CE2 4.28Å; F520-Y542 HydrophobicContact CD1-CD2 4.31Å; F520-Y542 HydrophobicContact CG-CD2 4.14Å
521	I	96	Very high	90.4	Very high	11 Å²	11	62.8 Å²	62.8	6%	0.056	32%	0.322	C	S	.	.	H	α-helix	trans	-59	-48.9	174.8	-65	160	0	0	0	110.5	K517 Q518 N523 N524 R525 T535 L538 E539	K517-I521 HydrophobicContact CG-CD1 4.34Å; K517-I521 PolarHBondContact O-N 3.43Å; Q518-I521 PolarHBondContact O-N 2.72Å; I521-N523 VanDerWaalsContact C-N 3.31Å; I521-N523 PolarHBondContact O-N 3.19Å; I521-N524 CarbonylContact O-C 3.54Å; I521-N524 PolarHBondContact O-N 3.21Å; I521-N524 VanDerWaalsContact O-N 3.12Å; I521-R525 PolarHBondContact O-N 3.29Å; I521-T535 HydrophobicContact CD1-CG2 3.82Å; I521-T535 HydrophobicContact CG1-CG2 4.46Å; I521-L538 HydrophobicContact CG1-CB 4.1Å; I521-L538 HydrophobicContact CG1-CD1 4.46Å; I521-L538 HydrophobicContact CG2-CD1 4.35Å; I521-E539 HydrophobicContact CD1-CG 3.87Å
522	N	94.5	Very high	91.5	Very high	71 Å²	71	61.3 Å²	61.3	38%	0.38	32%	0.317	S	S	.	.	H	α-helix	trans	-63.4	-36.3	-178.7	-69.7	-10.5	0	0	0	112.8	Q518 G519 F520 N524 R525	Q518-N522 PolarHBondContact NE2-OD1 3.43Å; Q518-N522 WeakPolarHBondContact O-CB 3.41Å; Q518-N522 PolarHBondContact O-N 2.99Å; Q518-N522 PolarHBondContact O-ND2 2.71Å; Q518-N522 PolarHBondContact O-OD1 3Å; G519-N522 PolarHBondContact O-N 3.1Å; F520-N522 PolarHBondContact O-N 3.37Å; N522-N524 PolarHBondContact O-N 2.91Å; N522-R525 PolarHBondContact O-N 3.27Å; N522-R525 PolarHBondContact OD1-NE 2.91Å
523	N	92.4	Very high	92.4	Very high	35 Å²	35	60 Å²	60	19%	0.187	30%	0.302	C	S	.	.	H	α-helix	trans	-68.1	-23.4	177.2	-70.2	-19.9	0	0	0	113	L23 M515 G519 F520 I521	L23-N523 VanDerWaalsContact CD2-ND2 3.34Å; L23-N523 WeakPolarHBondContact CD2-ND2 3.43Å; M515-N523 WeakPolarHBondContact CE-ND2 3.36Å; M515-N523 PolarHBondContact SD-ND2 3.4Å; G519-N523 WeakPolarHBondContact O-CB 3.33Å; G519-N523 PolarHBondContact O-N 3.29Å; G519-N523 PolarHBondContact O-ND2 3.06Å; G519-N523 PolarHBondContact O-OD1 3.04Å; F520-N523 PolarHBondContact O-N 3.25Å; I521-N523 VanDerWaalsContact C-N 3.31Å; I521-N523 PolarHBondContact O-N 3.19Å
524	N	94	Very high	92.9	Very high	1 Å²	1	55 Å²	55	1%	0.005	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	18	-179.7	-68.6	-74.3	0	0	0	112.8	S495 F520 I521 N522 I527 L538	S495-N524 VanDerWaalsContact CB-OD1 3.24Å; S495-N524 WeakPolarHBondContact CB-OD1 3.18Å; S495-N524 VanDerWaalsContact OG-CG 3.31Å; S495-N524 PolarHBondContact OG-ND2 3.47Å; S495-N524 VanDerWaalsContact OG-ND2 3.12Å; S495-N524 PolarHBondContact OG-OD1 2.99Å; F520-N524 WeakPolarHBondContact CD2-ND2 3.43Å; F520-N524 WeakPolarHBondContact CE2-ND2 3.4Å; F520-N524 WeakPolarHBondContact CZ-ND2 3.32Å; F520-N524 PolarHBondContact O-N 3.18Å; F520-N524 PolarHBondContact O-ND2 3.45Å; I521-N524 CarbonylContact O-C 3.54Å; I521-N524 PolarHBondContact O-N 3.21Å; I521-N524 VanDerWaalsContact O-N 3.12Å; N522-N524 PolarHBondContact O-N 2.91Å; N524-I527 HydrophobicContact CB-CD1 3.92Å; N524-I527 HydrophobicContact CB-CG2 4.48Å; N524-I527 WeakPolarHBondContact O-CG1 3.48Å; N524-L538 HydrophobicContact CB-CD1 4.11Å; N524-L538 HydrophobicContact CB-CD2 4.25Å
525	R	92.7	Very high	93.3	Very high	145 Å²	145	53.2 Å²	53.2	55%	0.547	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	139.3	173.1	-73.7	-179.7	179	-132.5	0.6	111.4	I521 N522 I527 D532	I521-R525 PolarHBondContact O-N 3.29Å; N522-R525 PolarHBondContact O-N 3.27Å; N522-R525 PolarHBondContact OD1-NE 2.91Å; R525-I527 PolarHBondContact O-N 2.9Å; R525-D532 WeakPolarHBondContact CA-OD1 2.88Å; R525-D532 WeakPolarHBondContact CB-OD1 3.27Å
526	G	91.2	Very high	93.6	Very high	29 Å²	29	58.7 Å²	58.7	30%	0.299	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	10.5	176.7	0	0	0	0	0	115.5	D528 D530 H531 D532	G526-D528 PolarHBondContact O-N 3.37Å; G526-D530 PolarHBondContact O-N 3.26Å; G526-H531 CarbonylContact C-O 3.57Å; G526-H531 VanDerWaalsContact CA-O 3.25Å; G526-H531 WeakPolarHBondContact CA-O 3.28Å; G526-D532 PolarHBondContact N-OD1 3.19Å
527	I	91.7	Very high	93.7	Very high	12 Å²	12	56.6 Å²	56.6	6%	0.062	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-19.7	-177.5	67.8	170.7	0	0	0	112.9	T488 V491 L492 N524 R525 S529 H531 V533	T488-I527 HydrophobicContact CG2-CD1 4.22Å; T488-I527 HydrophobicContact CG2-CG1 4.1Å; V491-I527 HydrophobicContact CG1-CB 4.16Å; V491-I527 HydrophobicContact CG1-CG2 4.28Å; L492-I527 HydrophobicContact CB-CD1 4.35Å; L492-I527 HydrophobicContact CD1-CD1 4.26Å; N524-I527 HydrophobicContact CB-CD1 3.92Å; N524-I527 HydrophobicContact CB-CG2 4.48Å; N524-I527 WeakPolarHBondContact O-CG1 3.48Å; R525-I527 PolarHBondContact O-N 2.9Å; I527-S529 PolarHBondContact O-N 2.99Å; I527-H531 PolarHBondContact N-O 2.82Å; I527-V533 HydrophobicContact CD1-CG2 3.81Å; I527-V533 HydrophobicContact CG1-CG2 3.72Å
528	D	92.4	Very high	93.7	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.011	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-100.4	70.1	-174.8	-168.9	29.3	0	0	0	111.5	F483 H484 S485 T488 G526 D530 H531 V533	F483-D528 WeakPolarHBondContact CA-OD2 3.29Å; H484-D528 IonicContact CE1-OD2 3.89Å; H484-D528 IonicContact CG-OD2 3.55Å; H484-D528 VanDerWaalsContact N-CG 3.3Å; H484-D528 PolarHBondContact N-OD1 3.08Å; H484-D528 PolarHBondContact N-OD2 2.99Å; H484-D528 IonicContact ND1-OD2 2.78Å; H484-D528 PolarHBondContact ND1-OD2 3.1Å; S485-D528 PolarHBondContact N-OD1 2.99Å; T488-D528 WeakPolarHBondContact CB-OD1 3.19Å; T488-D528 HydrophobicContact CG2-CB 3.75Å; T488-D528 WeakPolarHBondContact OG1-CA 3.45Å; T488-D528 PolarHBondContact OG1-OD1 3.28Å; G526-D528 PolarHBondContact O-N 3.37Å; D528-D530 PolarHBondContact O-N 2.94Å; D528-H531 PolarHBondContact N-O 2.76Å; D528-H531 VanDerWaalsContact N-O 3.09Å; D528-H531 VanDerWaalsContact O-CB 3.27Å; D528-H531 WeakPolarHBondContact O-CB 3.24Å; D528-H531 PolarHBondContact O-N 3.44Å; D528-H531 PolarHBondContact O-ND1 3.45Å; D528-V533 HydrophobicContact CB-CG2 4.05Å
529	S	89.2	Confident	93.8	Very high	67 Å²	67	52.3 Å²	52.3	47%	0.469	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	53.6	-175	-64	0	0	0	0	112.7	S485 I527 H531	S485-S529 VanDerWaalsContact CB-OG 3.23Å; S485-S529 WeakPolarHBondContact CB-OG 3.42Å; I527-S529 PolarHBondContact O-N 2.99Å; S529-H531 PolarHBondContact O-N 3.3Å; S529-H531 VanDerWaalsContact O-N 3.16Å; S529-H531 PolarHBondContact O-ND1 3.46Å
530	D	88.1	Confident	94	Very high	155 Å²	155	52.4 Å²	52.4	83%	0.829	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	5.2	-176.4	-51.7	-47	0	0	0	114.8	G526 D528	G526-D530 PolarHBondContact O-N 3.26Å; D528-D530 PolarHBondContact O-N 2.94Å
531	H	92.1	Very high	94.1	Very high	99 Å²	99	52.3 Å²	52.3	46%	0.458	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-99	159.5	169	-56.5	70.6	0	0	0	110.9	G526 I527 D528 S529	G526-H531 CarbonylContact C-O 3.57Å; G526-H531 VanDerWaalsContact CA-O 3.25Å; G526-H531 WeakPolarHBondContact CA-O 3.28Å; I527-H531 PolarHBondContact N-O 2.82Å; D528-H531 PolarHBondContact N-O 2.76Å; D528-H531 VanDerWaalsContact N-O 3.09Å; D528-H531 VanDerWaalsContact O-CB 3.27Å; D528-H531 WeakPolarHBondContact O-CB 3.24Å; D528-H531 PolarHBondContact O-N 3.44Å; D528-H531 PolarHBondContact O-ND1 3.45Å; S529-H531 PolarHBondContact O-N 3.3Å; S529-H531 VanDerWaalsContact O-N 3.16Å; S529-H531 PolarHBondContact O-ND1 3.46Å
532	D	92.7	Very high	94.2	Very high	93 Å²	93	53.4 Å²	53.4	50%	0.497	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-87.7	136	175.3	-71.2	-20.2	0	0	0	110.4	R525 G526	R525-D532 WeakPolarHBondContact CA-OD1 2.88Å; R525-D532 WeakPolarHBondContact CB-OD1 3.27Å; G526-D532 PolarHBondContact N-OD1 3.19Å
533	V	94.1	Very high	94.4	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.024	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-66	139.4	166.8	176.3	0	0	0	0	108.7	F483 T488 I527 D528 T535 L537 L538	F483-V533 HydrophobicContact CD1-CG2 4.21Å; F483-V533 HydrophobicContact CE1-CG1 3.98Å; F483-V533 HydrophobicContact CE1-CG2 4.11Å; T488-V533 HydrophobicContact CG2-CG2 3.84Å; I527-V533 HydrophobicContact CD1-CG2 3.81Å; I527-V533 HydrophobicContact CG1-CG2 3.72Å; D528-V533 HydrophobicContact CB-CG2 4.05Å; V533-T535 PolarHBondContact O-N 2.85Å; V533-L537 HydrophobicContact CG1-CB 4.47Å; V533-L537 HydrophobicContact CG1-CD2 3.77Å; V533-L537 HydrophobicContact CG1-CG 4.43Å; V533-L538 HydrophobicContact CB-CD1 4.22Å; V533-L538 HydrophobicContact CB-CD2 4.26Å; V533-L538 HydrophobicContact CB-CG 4.23Å; V533-L538 HydrophobicContact CG1-CD2 4.01Å; V533-L538 HydrophobicContact CG1-CG 4.02Å
534	S	95.6	Very high	94.7	Very high	62 Å²	62	55.9 Å²	55.9	43%	0.434	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-49.1	131	-177.4	63.3	0	0	0	0	111.9	D536 L537 L538	S534-D536 VanDerWaalsContact C-N 3.3Å; S534-D536 PolarHBondContact O-N 3.18Å; S534-L537 WeakPolarHBondContact O-CB 3.39Å; S534-L537 PolarHBondContact O-N 3.17Å; S534-L537 VanDerWaalsContact O-N 3.13Å; S534-L537 WeakPolarHBondContact OG-CB 3.41Å; S534-L538 PolarHBondContact O-N 3.36Å
535	T	95.9	Very high	94.8	Very high	71 Å²	71	55.8 Å²	55.8	44%	0.436	30%	0.298	S	S	.	.	H	α-helix	trans	-57.2	-43.2	-176.8	-51.9	0	0	0	0	111.9	I521 V533 L537 L538 E539	I521-T535 HydrophobicContact CD1-CG2 3.82Å; I521-T535 HydrophobicContact CG1-CG2 4.46Å; V533-T535 PolarHBondContact O-N 2.85Å; T535-L537 VanDerWaalsContact C-N 3.29Å; T535-L537 PolarHBondContact O-N 3.01Å; T535-L538 PolarHBondContact O-N 3Å; T535-L538 VanDerWaalsContact O-N 3.08Å; T535-E539 HydrophobicContact CG2-CG 4.17Å; T535-E539 WeakPolarHBondContact O-CG 3.43Å; T535-E539 PolarHBondContact O-N 3.47Å
536	D	96.5	Very high	94.9	Very high	137 Å²	137	51 Å²	51	73%	0.733	29%	0.289	S	S	*	.	H	α-helix	trans	-56.1	-40.8	178.6	-59.9	-19.5	0	0	0	112.9	S534 G540	S534-D536 VanDerWaalsContact C-N 3.3Å; S534-D536 PolarHBondContact O-N 3.18Å; D536-G540 PolarHBondContact O-N 3.41Å
537	L	96.5	Very high	95.2	Very high	16 Å²	16	53.8 Å²	53.8	8%	0.084	31%	0.31	C	S	.	.	H	α-helix	trans	-65.7	-45	176.8	-179.5	63.2	0	0	0	111.3	E439 F483 V533 S534 T535 G540 I541	E439-L537 HydrophobicContact CG-CD1 4.45Å; F483-L537 HydrophobicContact CE1-CD2 4.02Å; F483-L537 HydrophobicContact CZ-CD2 3.9Å; V533-L537 HydrophobicContact CG1-CB 4.47Å; V533-L537 HydrophobicContact CG1-CD2 3.77Å; V533-L537 HydrophobicContact CG1-CG 4.43Å; S534-L537 WeakPolarHBondContact O-CB 3.39Å; S534-L537 PolarHBondContact O-N 3.17Å; S534-L537 VanDerWaalsContact O-N 3.13Å; S534-L537 WeakPolarHBondContact OG-CB 3.41Å; T535-L537 VanDerWaalsContact C-N 3.29Å; T535-L537 PolarHBondContact O-N 3.01Å; L537-G540 PolarHBondContact O-N 3.3Å; L537-I541 HydrophobicContact CD1-CD1 4.27Å; L537-I541 HydrophobicContact CG-CD1 4.05Å; L537-I541 WeakPolarHBondContact O-CB 3.3Å; L537-I541 VanDerWaalsContact O-CG1 3.23Å; L537-I541 WeakPolarHBondContact O-CG1 3.36Å; L537-I541 PolarHBondContact O-N 3.18Å
538	L	97.6	Very high	95.3	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.016	33%	0.327	C	S	.	.	H	α-helix	trans	-67.1	-37.6	179.7	-65.4	177.7	0	0	0	112	L492 F520 I521 N524 V533 S534 T535 Y542	L492-L538 HydrophobicContact CD1-CD2 3.83Å; F520-L538 HydrophobicContact CD1-CB 4.42Å; F520-L538 HydrophobicContact CE1-CB 4.25Å; F520-L538 HydrophobicContact CE1-CD2 3.99Å; F520-L538 HydrophobicContact CZ-CD2 4.5Å; I521-L538 HydrophobicContact CG1-CB 4.1Å; I521-L538 HydrophobicContact CG1-CD1 4.46Å; I521-L538 HydrophobicContact CG2-CD1 4.35Å; N524-L538 HydrophobicContact CB-CD1 4.11Å; N524-L538 HydrophobicContact CB-CD2 4.25Å; V533-L538 HydrophobicContact CB-CD1 4.22Å; V533-L538 HydrophobicContact CB-CD2 4.26Å; V533-L538 HydrophobicContact CB-CG 4.23Å; V533-L538 HydrophobicContact CG1-CD2 4.01Å; V533-L538 HydrophobicContact CG1-CG 4.02Å; S534-L538 PolarHBondContact O-N 3.36Å; T535-L538 PolarHBondContact O-N 3Å; T535-L538 VanDerWaalsContact O-N 3.08Å; L538-Y542 WeakPolarHBondContact O-CB 3.44Å; L538-Y542 PolarHBondContact O-N 3.43Å
539	E	97.8	Very high	95.3	Very high	66 Å²	66	58.3 Å²	58.3	31%	0.308	34%	0.337	S	S	.	.	H	α-helix	trans	-64.9	-46.5	174.2	-69.2	-161	-177.9	0	0	111.9	K517 I521 T535 I541 Y542 D543	K517-E539 HydrophobicContact CD-CB 4.22Å; K517-E539 HydrophobicContact CD-CG 3.81Å; K517-E539 HydrophobicContact CG-CG 4.16Å; K517-E539 IonicContact NZ-OE2 2.71Å; I521-E539 HydrophobicContact CD1-CG 3.87Å; T535-E539 HydrophobicContact CG2-CG 4.17Å; T535-E539 WeakPolarHBondContact O-CG 3.43Å; T535-E539 PolarHBondContact O-N 3.47Å; E539-I541 VanDerWaalsContact C-N 3.34Å; E539-I541 PolarHBondContact O-N 2.87Å; E539-Y542 PolarHBondContact O-N 3.04Å; E539-Y542 VanDerWaalsContact O-N 3.16Å; E539-D543 PolarHBondContact O-N 3.44Å
540	G	97.5	Very high	95.4	Very high	20 Å²	20	55.1 Å²	55.1	21%	0.206	32%	0.315	C	S	.	.	H	α-helix	trans	-60.2	-42.5	176.7	0	0	0	0	0	112.7	D536 L537 R544	D536-G540 PolarHBondContact O-N 3.41Å; L537-G540 PolarHBondContact O-N 3.3Å; G540-R544 WeakPolarHBondContact O-CG 3.34Å; G540-R544 VanDerWaalsContact O-CZ 3.31Å; G540-R544 PolarHBondContact O-N 3.1Å; G540-R544 VanDerWaalsContact O-N 3.12Å
541	I	98	Very high	95.5	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-59.1	-49.8	172.8	-73.1	169.2	0	0	0	110.3	D441 L492 V496 F520 L537 E539 D543 R544 I545	D441-I541 HydrophobicContact CB-CG1 4.19Å; D441-I541 HydrophobicContact CB-CG2 4.13Å; L492-I541 HydrophobicContact CD1-CD1 4.37Å; L492-I541 HydrophobicContact CD2-CD1 4.08Å; L492-I541 HydrophobicContact CG-CD1 4.47Å; V496-I541 HydrophobicContact CG2-CG2 3.62Å; F520-I541 HydrophobicContact CE1-CB 4.42Å; F520-I541 HydrophobicContact CE1-CG2 3.95Å; F520-I541 HydrophobicContact CZ-CG2 3.98Å; L537-I541 HydrophobicContact CD1-CD1 4.27Å; L537-I541 HydrophobicContact CG-CD1 4.05Å; L537-I541 WeakPolarHBondContact O-CB 3.3Å; L537-I541 VanDerWaalsContact O-CG1 3.23Å; L537-I541 WeakPolarHBondContact O-CG1 3.36Å; L537-I541 PolarHBondContact O-N 3.18Å; E539-I541 VanDerWaalsContact C-N 3.34Å; E539-I541 PolarHBondContact O-N 2.87Å; I541-D543 PolarHBondContact O-N 3.48Å; I541-R544 PolarHBondContact O-N 3.36Å; I541-I545 HydrophobicContact CG2-CG1 4.41Å; I541-I545 VanDerWaalsContact O-CG1 3.25Å; I541-I545 WeakPolarHBondContact O-CG1 2.96Å; I541-I545 PolarHBondContact O-N 3.01Å
542	Y	98.3	Very high	95.5	Very high	34 Å²	34	50.2 Å²	50.2	13%	0.133	29%	0.288	C	S	.	.	H	α-helix	trans	-59	-48.3	-178.8	-177.3	-84.5	0	0	0	111.7	L499 L503 M515 K517 F520 L538 E539 R544 I545 A546	L499-Y542 HydrophobicContact CD1-CD2 3.76Å; L499-Y542 HydrophobicContact CD1-CE2 3.74Å; L499-Y542 HydrophobicContact CD2-CD2 3.79Å; L499-Y542 HydrophobicContact CD2-CG 4.41Å; L499-Y542 HydrophobicContact CG-CD2 4.4Å; L503-Y542 HydrophobicContact CD1-CE2 4.23Å; L503-Y542 HydrophobicContact CD2-CE2 4.44Å; M515-Y542 WeakPolarHBondContact O-CE2 3.47Å; M515-Y542 PolarHBondContact O-OH 3.03Å; K517-Y542 HydrophobicContact CB-CD1 3.75Å; K517-Y542 HydrophobicContact CB-CD2 4.39Å; K517-Y542 HydrophobicContact CB-CE1 3.8Å; K517-Y542 HydrophobicContact CB-CE2 4.42Å; K517-Y542 HydrophobicContact CB-CG 4.07Å; K517-Y542 HydrophobicContact CG-CD1 4.05Å; K517-Y542 HydrophobicContact CG-CG 4.16Å; K517-Y542 VanDerWaalsContact N-CZ 3.29Å; K517-Y542 PolarHBondContact N-OH 3.21Å; F520-Y542 HydrophobicContact CB-CD2 3.75Å; F520-Y542 HydrophobicContact CB-CE2 4.28Å; F520-Y542 HydrophobicContact CD1-CD2 4.31Å; F520-Y542 HydrophobicContact CG-CD2 4.14Å; L538-Y542 WeakPolarHBondContact O-CB 3.44Å; L538-Y542 PolarHBondContact O-N 3.43Å; E539-Y542 PolarHBondContact O-N 3.04Å; E539-Y542 VanDerWaalsContact O-N 3.16Å; Y542-R544 PolarHBondContact O-N 2.98Å; Y542-I545 PolarHBondContact O-N 3.26Å; Y542-A546 HydrophobicContact CD1-CB 4.46Å; Y542-A546 HydrophobicContact CE1-CB 4.26Å; Y542-A546 VanDerWaalsContact O-CB 3.27Å; Y542-A546 WeakPolarHBondContact O-CB 3.36Å; Y542-A546 PolarHBondContact O-N 3.06Å
543	D	98.1	Very high	95.4	Very high	76 Å²	76	49.5 Å²	49.5	41%	0.406	28%	0.283	S	S	.	.	H	α-helix	trans	-63.8	-40.8	-176.6	-70.7	-21.3	0	0	0	111.7	K517 E539 I541 A546 A547	K517-D543 WeakPolarHBondContact CE-OD1 3.49Å; K517-D543 IonicContact NZ-OD1 3.64Å; K517-D543 PolarHBondContact NZ-OD1 2.67Å; K517-D543 IonicContact NZ-OD2 2.89Å; K517-D543 PolarHBondContact NZ-OD2 2.94Å; E539-D543 PolarHBondContact O-N 3.44Å; I541-D543 PolarHBondContact O-N 3.48Å; D543-A546 PolarHBondContact O-N 3.2Å; D543-A547 WeakPolarHBondContact O-CB 3.35Å; D543-A547 PolarHBondContact O-N 3.45Å
544	R	98	Very high	95.3	Very high	81 Å²	81	54.2 Å²	54.2	31%	0.306	31%	0.314	S	S	.	.	H	α-helix	trans	-68.7	-39.3	176.9	-71.7	-174.1	-58.8	-98.4	-2	113.1	E439 D441 R445 G540 I541 Y542 S548	E439-R544 IonicContact OE2-CZ 3.89Å; E439-R544 IonicContact OE2-NH1 2.88Å; E439-R544 PolarHBondContact OE2-NH1 2.81Å; E439-R544 IonicContact OE2-NH2 3.61Å; E439-R544 PolarHBondContact OE2-NH2 3.28Å; D441-R544 VanDerWaalsContact CG-NH2 3.27Å; D441-R544 IonicContact OD1-CZ 3.75Å; D441-R544 IonicContact OD1-NE 2.86Å; D441-R544 IonicContact OD1-NH2 2.77Å; D441-R544 PolarHBondContact OD1-NH2 3.03Å; D441-R544 IonicContact OD2-CZ 3.11Å; D441-R544 IonicContact OD2-NE 3.43Å; D441-R544 PolarHBondContact OD2-NE 2.91Å; D441-R544 IonicContact OD2-NH2 2.7Å; D441-R544 PolarHBondContact OD2-NH2 3.24Å; R445-R544 PolarHBondContact NH2-O 2.85Å; G540-R544 WeakPolarHBondContact O-CG 3.34Å; G540-R544 VanDerWaalsContact O-CZ 3.31Å; G540-R544 PolarHBondContact O-N 3.1Å; G540-R544 VanDerWaalsContact O-N 3.12Å; I541-R544 PolarHBondContact O-N 3.36Å; Y542-R544 PolarHBondContact O-N 2.98Å; R544-S548 PolarHBondContact O-N 3.27Å; R544-S548 VanDerWaalsContact O-N 3.11Å
545	I	96.5	Very high	95.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-68.8	-42.3	176	-62.2	-66.6	0	0	0	110.2	D441 V496 L499 H500 L503 H504 I541 Y542 A547 S548 F550	D441-I545 HydrophobicContact CB-CD1 4.31Å; V496-I545 HydrophobicContact CG1-CD1 3.73Å; V496-I545 HydrophobicContact CG1-CG1 4.07Å; L499-I545 HydrophobicContact CD2-CB 4.13Å; L499-I545 HydrophobicContact CD2-CG1 4.41Å; L499-I545 HydrophobicContact CD2-CG2 4.2Å; L499-I545 HydrophobicContact CG-CG2 4.17Å; H500-I545 HydrophobicContact CB-CG2 4.1Å; L503-I545 HydrophobicContact CD1-CG2 4.18Å; H504-I545 PolarHBondContact NE2-O 3.38Å; I541-I545 HydrophobicContact CG2-CG1 4.41Å; I541-I545 VanDerWaalsContact O-CG1 3.25Å; I541-I545 WeakPolarHBondContact O-CG1 2.96Å; I541-I545 PolarHBondContact O-N 3.01Å; Y542-I545 PolarHBondContact O-N 3.26Å; I545-A547 VanDerWaalsContact C-N 3.34Å; I545-A547 PolarHBondContact O-N 3.19Å; I545-S548 CarbonylContact O-C 3.6Å; I545-S548 PolarHBondContact O-N 3.38Å; I545-F550 HydrophobicContact CD1-CD1 4.29Å; I545-F550 HydrophobicContact CD1-CE1 3.35Å; I545-F550 HydrophobicContact CD1-CE2 4.2Å; I545-F550 HydrophobicContact CD1-CZ 3.32Å
546	A	95.7	Very high	95	Very high	44 Å²	44	49.7 Å²	49.7	36%	0.364	28%	0.283	S	S	.	.	H	α-helix	trans	-62.6	-40.4	176.3	0	0	0	0	0	112.3	L503 Y542 D543	L503-A546 HydrophobicContact CD1-CB 3.9Å; Y542-A546 HydrophobicContact CD1-CB 4.46Å; Y542-A546 HydrophobicContact CE1-CB 4.26Å; Y542-A546 VanDerWaalsContact O-CB 3.27Å; Y542-A546 WeakPolarHBondContact O-CB 3.36Å; Y542-A546 PolarHBondContact O-N 3.06Å; D543-A546 PolarHBondContact O-N 3.2Å
547	A	96.6	Very high	94.8	Very high	88 Å²	88	43.5 Å²	43.5	73%	0.727	25%	0.251	S	S	*	.	H	α-helix	trans	-68.8	-34.5	179	0	0	0	0	0	113.3	D543 I545	D543-A547 WeakPolarHBondContact O-CB 3.35Å; D543-A547 PolarHBondContact O-N 3.45Å; I545-A547 VanDerWaalsContact C-N 3.34Å; I545-A547 PolarHBondContact O-N 3.19Å
548	S	93.5	Very high	94.5	Very high	61 Å²	61	45 Å²	45	43%	0.427	26%	0.259	S	S	.	.	S	Bend	trans	-145.3	117.4	-175.2	-174.8	0	0	0	0	112.2	R445 R544 I545	R445-S548 PolarHBondContact NH1-O 3.03Å; R445-S548 PolarHBondContact NH1-OG 3.42Å; R445-S548 PolarHBondContact NH2-O 3.18Å; R544-S548 PolarHBondContact O-N 3.27Å; R544-S548 VanDerWaalsContact O-N 3.11Å; I545-S548 CarbonylContact O-C 3.6Å; I545-S548 PolarHBondContact O-N 3.38Å
549	E	92.7	Very high	94.2	Very high	47 Å²	47	48.4 Å²	48.4	22%	0.22	27%	0.274	C	S	.	.			trans	-61.3	157.6	170.7	69.3	-174.6	157.7	0	0	112.2	S231 R445 H504 K551	S231-E549 WeakPolarHBondContact CB-OE2 3.49Å; S231-E549 PolarHBondContact OG-OE1 2.78Å; S231-E549 PolarHBondContact OG-OE2 3.06Å; R445-E549 PolarHBondContact NH1-O 2.95Å; H504-E549 HydrophobicContact CB-CB 4.11Å; H504-E549 WeakPolarHBondContact NE2-CA 3.28Å; E549-K551 HydrophobicContact CG-CD 4.4Å; E549-K551 HydrophobicContact CG-CG 4.03Å; E549-K551 WeakPolarHBondContact OE1-CE 3.27Å; E549-K551 IonicContact OE1-NZ 2.81Å; E549-K551 PolarHBondContact OE1-NZ 2.6Å
550	F	92.1	Very high	94	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	26%	0.259	C	S	.	.			trans	-74.8	134.3	171.5	-67.3	-28.6	0	0	0	109.7	I233 L444 R445 I448 V496 L497 H500 I545	I233-F550 HydrophobicContact CD1-CB 3.69Å; L444-F550 HydrophobicContact CD2-CE2 4.14Å; L444-F550 HydrophobicContact CD2-CZ 4.23Å; L444-F550 HydrophobicContact CG-CE2 4.38Å; L444-F550 HydrophobicContact CG-CZ 4.36Å; R445-F550 HydrophobicContact CB-CD1 3.99Å; R445-F550 HydrophobicContact CB-CE1 3.7Å; R445-F550 HydrophobicContact CG-CD1 3.93Å; R445-F550 HydrophobicContact CG-CE1 4.11Å; I448-F550 HydrophobicContact CD1-CD2 3.51Å; I448-F550 HydrophobicContact CD1-CE2 3.69Å; I448-F550 HydrophobicContact CD1-CG 4.23Å; I448-F550 HydrophobicContact CG2-CB 3.97Å; I448-F550 HydrophobicContact CG2-CG 4.47Å; V496-F550 HydrophobicContact CG1-CE2 4.17Å; V496-F550 HydrophobicContact CG1-CZ 3.79Å; L497-F550 HydrophobicContact CD1-CD2 4.29Å; L497-F550 HydrophobicContact CD1-CE2 4.4Å; H500-F550 HydrophobicContact CB-CD2 4.01Å; H500-F550 HydrophobicContact CB-CE2 4.13Å; H500-F550 AromaticContact CD2-CD2 3.64Å; H500-F550 AromaticContact CD2-CG 3.62Å; H500-F550 PolarHBondContact CD2-N 3.47Å; H500-F550 AromaticContact CG-CD2 3.72Å; H500-F550 PolarHBondContact NE2-N 3.27Å; I545-F550 HydrophobicContact CD1-CD1 4.29Å; I545-F550 HydrophobicContact CD1-CE1 3.35Å; I545-F550 HydrophobicContact CD1-CE2 4.2Å; I545-F550 HydrophobicContact CD1-CZ 3.32Å
551	K	89.8	Confident	93.7	Very high	117 Å²	117	48.5 Å²	48.5	51%	0.509	27%	0.265	S	S	.	.			trans	-133.2	140.8	177.2	-63.7	-170.2	-180	-168.7	0	109.7	E549	E549-K551 HydrophobicContact CG-CD 4.4Å; E549-K551 HydrophobicContact CG-CG 4.03Å; E549-K551 WeakPolarHBondContact OE1-CE 3.27Å; E549-K551 IonicContact OE1-NZ 2.81Å; E549-K551 PolarHBondContact OE1-NZ 2.6Å
552	T	91.5	Very high	93.2	Very high	34 Å²	34	50.8 Å²	50.8	21%	0.209	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-76.2	152.7	167.3	54	0	0	0	0	109.7	I448 G449 H452	I448-T552 WeakPolarHBondContact O-CG2 3.29Å; G449-T552 CarbonylContact O-C 3.57Å; G449-T552 WeakPolarHBondContact O-CA 3.39Å; H452-T552 HydrophobicContact CB-CG2 4.05Å
553	L	91.2	Very high	92.9	Very high	78 Å²	78	49.2 Å²	49.2	41%	0.408	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-60.2	151.8	168.2	-69.4	170.4	0	0	0	110.1	G449	G449-L553 WeakPolarHBondContact O-CB 3.43Å; G449-L553 VanDerWaalsContact O-CG 3.25Å; G449-L553 WeakPolarHBondContact O-CG 3.33Å; G449-L553 PolarHBondContact O-N 3.42Å
554	P	91.7	Very high	92.6	Very high	102 Å²	102	47.8 Å²	47.8	66%	0.662	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-55.6	145.3	175.9	-24.8	34.3	0	0	0	112.5	D558	P554-D558 VanDerWaalsContact CA-OD2 3.3Å; P554-D558 WeakPolarHBondContact CA-OD2 3.32Å
555	D	92.8	Very high	92.1	Very high	21 Å²	21	46.9 Å²	46.9	11%	0.112	29%	0.286	C	S	.	.			trans	-135.2	173.7	177.8	85.2	5.5	0	0	0	111.1	N406 R407 S557 D558 R561	N406-D555 PolarHBondContact ND2-OD2 3.2Å; R407-D555 HydrophobicContact CB-CB 4.43Å; R407-D555 HydrophobicContact CG-CB 3.58Å; R407-D555 PolarHBondContact N-OD2 2.72Å; D555-S557 PolarHBondContact O-N 2.89Å; D555-S557 WeakPolarHBondContact OD1-CA 3.46Å; D555-S557 WeakPolarHBondContact OD1-CB 3.34Å; D555-S557 PolarHBondContact OD1-N 2.89Å; D555-D558 PolarHBondContact N-OD2 3.01Å; D555-D558 WeakPolarHBondContact O-CB 3.37Å; D555-D558 PolarHBondContact O-N 3.03Å; D555-D558 PolarHBondContact OD1-N 3.36Å; D555-R561 IonicContact OD1-NH2 3.49Å
556	P	91.9	Very high	91.8	Very high	17 Å²	17	47.2 Å²	47.2	11%	0.11	29%	0.288	C	S	.	.	H	α-helix	trans	-55.8	-26	-178.6	-28.8	36.6	0	0	0	114.8	P403 L405 R582	P403-P556 WeakPolarHBondContact O-CG 3.42Å; L405-P556 WeakPolarHBondContact O-CD 3.38Å; P556-R582 HydrophobicContact CB-CG 4.47Å
557	S	92.6	Very high	91.6	Very high	7 Å²	7	45.3 Å²	45.3	5%	0.049	27%	0.272	C	S	.	.	H	α-helix	trans	-76.6	-19.4	-180	-63.8	0	0	0	0	112.9	N406 D555 K559 L560 R561	N406-S557 PolarHBondContact ND2-OG 2.9Å; D555-S557 PolarHBondContact O-N 2.89Å; D555-S557 WeakPolarHBondContact OD1-CA 3.46Å; D555-S557 WeakPolarHBondContact OD1-CB 3.34Å; D555-S557 PolarHBondContact OD1-N 2.89Å; S557-K559 VanDerWaalsContact C-N 3.35Å; S557-L560 WeakPolarHBondContact O-CB 3.32Å; S557-L560 PolarHBondContact O-N 3.43Å; S557-L560 VanDerWaalsContact O-N 3.16Å; S557-R561 PolarHBondContact O-N 2.98Å
558	D	91.6	Very high	91.4	Very high	48 Å²	48	44.6 Å²	44.6	26%	0.257	26%	0.255	S	S	.	.	H	α-helix	trans	-61.1	-43.4	174.4	-73	-74.6	0	0	0	111.6	P554 D555 L560 R561 A562	P554-D558 VanDerWaalsContact CA-OD2 3.3Å; P554-D558 WeakPolarHBondContact CA-OD2 3.32Å; D555-D558 PolarHBondContact N-OD2 3.01Å; D555-D558 WeakPolarHBondContact O-CB 3.37Å; D555-D558 PolarHBondContact O-N 3.03Å; D555-D558 PolarHBondContact OD1-N 3.36Å; D558-L560 VanDerWaalsContact C-N 3.27Å; D558-L560 PolarHBondContact O-N 2.98Å; D558-R561 PolarHBondContact O-N 2.98Å; D558-R561 IonicContact OD1-CZ 3.53Å; D558-R561 IonicContact OD1-NH1 2.86Å; D558-R561 PolarHBondContact OD1-NH1 3.44Å; D558-R561 IonicContact OD1-NH2 2.73Å; D558-R561 PolarHBondContact OD1-NH2 3.44Å; D558-R561 IonicContact OD2-NH2 2.95Å; D558-R561 PolarHBondContact OD2-NH2 2.83Å; D558-A562 PolarHBondContact O-N 3.15Å
559	K	91	Very high	91.2	Very high	75 Å²	75	43.1 Å²	43.1	33%	0.326	25%	0.25	S	C	.	.	H	α-helix	trans	-62.3	-35.9	174.3	-65.5	-166	-177.9	-154.1	0	111.6	S557 L563 F583 E683	S557-K559 VanDerWaalsContact C-N 3.35Å; K559-L563 WeakPolarHBondContact O-CG 3.21Å; K559-L563 PolarHBondContact O-N 3.3Å; K559-L563 VanDerWaalsContact O-N 3.12Å; K559-F583 HydrophobicContact CB-CB 4.44Å; K559-F583 HydrophobicContact CD-CD1 4.49Å; K559-E683 IonicContact NZ-OE1 3.7Å; K559-E683 PolarHBondContact NZ-OE1 3.11Å; K559-E683 IonicContact NZ-OE2 3.67Å; K559-E683 PolarHBondContact NZ-OE2 3.42Å
560	L	93.2	Very high	91	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-68	-41.8	175.7	-57.7	-172.8	0	0	0	112.2	S557 D558 A562 L563 D564 V577 R581 F583 F614	S557-L560 WeakPolarHBondContact O-CB 3.32Å; S557-L560 PolarHBondContact O-N 3.43Å; S557-L560 VanDerWaalsContact O-N 3.16Å; D558-L560 VanDerWaalsContact C-N 3.27Å; D558-L560 PolarHBondContact O-N 2.98Å; L560-A562 VanDerWaalsContact C-N 3.32Å; L560-A562 PolarHBondContact O-N 2.93Å; L560-L563 PolarHBondContact O-N 3.29Å; L560-D564 WeakPolarHBondContact O-CB 3.31Å; L560-D564 PolarHBondContact O-N 2.87Å; L560-V577 HydrophobicContact CB-CB 4.5Å; L560-V577 HydrophobicContact CB-CG1 4.17Å; L560-V577 HydrophobicContact CB-CG2 4.12Å; L560-V577 HydrophobicContact CD1-CG1 4.44Å; L560-R581 HydrophobicContact CD1-CB 3.79Å; L560-R581 HydrophobicContact CD1-CG 3.94Å; L560-R581 WeakPolarHBondContact CD1-O 3.35Å; L560-R581 HydrophobicContact CD2-CG 4.11Å; L560-F583 HydrophobicContact CD2-CB 4.3Å; L560-F614 HydrophobicContact CD2-CD1 3.72Å; L560-F614 HydrophobicContact CD2-CE1 3.42Å; L560-F614 VanDerWaalsContact CD2-CE1 3.42Å
561	R	91	Very high	90.9	Very high	87 Å²	87	49.4 Å²	49.4	33%	0.328	29%	0.29	S	S	.	.	H	α-helix	trans	-61.9	-40.6	176.7	-77.9	-176.6	-96.2	125	-0.6	111.4	D555 S557 D558 D564 G565 V577	D555-R561 IonicContact OD1-NH2 3.49Å; S557-R561 PolarHBondContact O-N 2.98Å; D558-R561 PolarHBondContact O-N 2.98Å; D558-R561 IonicContact OD1-CZ 3.53Å; D558-R561 IonicContact OD1-NH1 2.86Å; D558-R561 PolarHBondContact OD1-NH1 3.44Å; D558-R561 IonicContact OD1-NH2 2.73Å; D558-R561 PolarHBondContact OD1-NH2 3.44Å; D558-R561 IonicContact OD2-NH2 2.95Å; D558-R561 PolarHBondContact OD2-NH2 2.83Å; R561-D564 PolarHBondContact O-N 3.16Å; R561-G565 PolarHBondContact O-N 2.89Å; R561-V577 HydrophobicContact CG-CG1 4.15Å; R561-V577 HydrophobicContact CG-CG2 4.24Å
562	A	88.7	Confident	90.8	Very high	49 Å²	49	46 Å²	46	41%	0.405	28%	0.275	S	S	.	.	H	α-helix	trans	-61.3	-44.3	173.5	0	0	0	0	0	112.1	D558 L560	D558-A562 PolarHBondContact O-N 3.15Å; L560-A562 VanDerWaalsContact C-N 3.32Å; L560-A562 PolarHBondContact O-N 2.93Å
563	L	91.4	Very high	90.3	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-65.9	-39.5	175.4	-74.1	170.8	0	0	0	112.3	K559 L560 G565 V566 L567 F576 F583 L612 F614 P684 F685	K559-L563 WeakPolarHBondContact O-CG 3.21Å; K559-L563 PolarHBondContact O-N 3.3Å; K559-L563 VanDerWaalsContact O-N 3.12Å; L560-L563 PolarHBondContact O-N 3.29Å; L563-G565 PolarHBondContact O-N 2.91Å; L563-V566 HydrophobicContact CD2-CG2 4.41Å; L563-V566 WeakPolarHBondContact O-CG2 3.49Å; L563-V566 PolarHBondContact O-N 3.24Å; L563-V566 VanDerWaalsContact O-N 3.08Å; L563-L567 HydrophobicContact CB-CD1 4.43Å; L563-L567 WeakPolarHBondContact O-CB 3.44Å; L563-L567 VanDerWaalsContact O-CG 3.23Å; L563-L567 WeakPolarHBondContact O-CG 3.18Å; L563-L567 PolarHBondContact O-N 2.91Å; L563-F576 HydrophobicContact CB-CE1 4.04Å; L563-F576 HydrophobicContact CB-CZ 4.38Å; L563-F583 HydrophobicContact CD1-CB 4.44Å; L563-F583 HydrophobicContact CD1-CD2 3.55Å; L563-F583 HydrophobicContact CD1-CE2 3.87Å; L563-F583 HydrophobicContact CD1-CG 3.98Å; L563-L612 HydrophobicContact CD2-CD1 4.3Å; L563-F614 HydrophobicContact CD1-CE1 3.98Å; L563-F614 HydrophobicContact CD1-CZ 3.91Å; L563-P684 HydrophobicContact CD1-CB 4.17Å; L563-P684 HydrophobicContact CD2-CB 3.65Å; L563-P684 HydrophobicContact CG-CB 3.73Å; L563-F685 HydrophobicContact CD2-CD2 3.91Å
564	D	91.4	Very high	89.7	Confident	45 Å²	45	50.1 Å²	50.1	24%	0.241	30%	0.298	C	S	.	.	H	α-helix	trans	-57.3	-37.5	-178.4	-164.2	69.7	0	0	0	112.4	L560 R561 V566 K572 F576 V577	L560-D564 WeakPolarHBondContact O-CB 3.31Å; L560-D564 PolarHBondContact O-N 2.87Å; R561-D564 PolarHBondContact O-N 3.16Å; D564-V566 PolarHBondContact O-N 3.1Å; D564-K572 PolarHBondContact O-NZ 3.22Å; D564-K572 WeakPolarHBondContact OD1-CE 3.32Å; D564-K572 IonicContact OD1-NZ 3.1Å; D564-K572 PolarHBondContact OD1-NZ 3.32Å; D564-K572 IonicContact OD2-NZ 2.89Å; D564-K572 PolarHBondContact OD2-NZ 2.91Å; D564-F576 HydrophobicContact CB-CD1 4.02Å; D564-F576 WeakPolarHBondContact OD1-CB 3.42Å; D564-F576 WeakPolarHBondContact OD1-CD1 3.49Å; D564-V577 HydrophobicContact CB-CG2 3.85Å
565	G	88.1	Confident	89.4	Confident	63 Å²	63	51 Å²	51	65%	0.649	30%	0.298	S	S	*	.	H	α-helix	trans	-69.6	-26.2	178	0	0	0	0	0	115	R561 L563	R561-G565 PolarHBondContact O-N 2.89Å; L563-G565 PolarHBondContact O-N 2.91Å
566	V	90	Very high	89.3	Confident	7 Å²	7	50.3 Å²	50.3	4%	0.042	29%	0.293	C	S	.	.	H	α-helix	trans	-97.6	-20.2	-179.8	-62.5	0	0	0	0	113.4	L563 D564 F685 T689 T690 F691	L563-V566 HydrophobicContact CD2-CG2 4.41Å; L563-V566 WeakPolarHBondContact O-CG2 3.49Å; L563-V566 PolarHBondContact O-N 3.24Å; L563-V566 VanDerWaalsContact O-N 3.08Å; D564-V566 PolarHBondContact O-N 3.1Å; V566-F685 HydrophobicContact CG2-CD2 4.37Å; V566-T689 WeakPolarHBondContact CB-O 3.4Å; V566-T690 CarbonylContact O-C 3.59Å; V566-T690 WeakPolarHBondContact O-CA 3.24Å; V566-F691 HydrophobicContact CB-CD2 4.41Å; V566-F691 HydrophobicContact CG2-CD2 4.37Å; V566-F691 PolarHBondContact O-N 2.92Å
567	L	91.9	Very high	89.4	Confident	4 Å²	4	52.1 Å²	52.1	2%	0.021	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	130.5	179.4	-66.7	-178.1	0	0	0	111.4	L563 K572 F576 L612 V621 F691 V693	L563-L567 HydrophobicContact CB-CD1 4.43Å; L563-L567 WeakPolarHBondContact O-CB 3.44Å; L563-L567 VanDerWaalsContact O-CG 3.23Å; L563-L567 WeakPolarHBondContact O-CG 3.18Å; L563-L567 PolarHBondContact O-N 2.91Å; L567-K572 HydrophobicContact CB-CD 4.28Å; L567-K572 WeakPolarHBondContact O-CD 3.31Å; L567-F576 HydrophobicContact CD1-CE1 4.03Å; L567-F576 HydrophobicContact CD1-CE2 3.95Å; L567-F576 HydrophobicContact CD1-CZ 3.62Å; L567-L612 HydrophobicContact CD1-CD1 4.13Å; L567-L612 HydrophobicContact CD2-CD1 3.95Å; L567-V621 HydrophobicContact CD2-CB 4.48Å; L567-V621 HydrophobicContact CD2-CG1 3.74Å; L567-F691 WeakPolarHBondContact CA-O 3.48Å; L567-F691 HydrophobicContact CD2-CB 3.99Å; L567-V693 HydrophobicContact CB-CG2 4.24Å; L567-V693 HydrophobicContact CD2-CG2 4.34Å
568	I	92	Very high	89.4	Confident	72 Å²	72	54.4 Å²	54.4	37%	0.369	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	165.5	177.6	73	169.5	0	0	0	112.5	L624 F691 Q692 V693	I568-L624 HydrophobicContact CD1-CD1 3.28Å; I568-L624 HydrophobicContact CG1-CD1 3.81Å; I568-F691 PolarHBondContact N-O 3.45Å; I568-Q692 CarbonylContact O-C 3.56Å; I568-Q692 WeakPolarHBondContact O-CA 3.42Å; I568-V693 PolarHBondContact O-N 3.13Å
569	G	88.4	Confident	89.5	Confident	31 Å²	31	54.8 Å²	54.8	32%	0.32	31%	0.312	S	S	.	.	S	Bend	trans	112.9	164.5	171.6	0	0	0	0	0	114	L571 K572	G569-L571 PolarHBondContact O-N 2.94Å; G569-L571 VanDerWaalsContact O-N 3.13Å; G569-K572 WeakPolarHBondContact O-CB 3.43Å; G569-K572 PolarHBondContact O-N 3.28Å; G569-K572 VanDerWaalsContact O-N 3.09Å
570	P	88.9	Confident	89.7	Confident	102 Å²	102	52.5 Å²	52.5	66%	0.662	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-15.7	-170.1	28.9	-36.6	0	0	0	114	R96	R96-P570 PolarHBondContact NH1-O 2.98Å; R96-P570 PolarHBondContact NH2-O 3.38Å
571	L	89.2	Confident	89.9	Confident	77 Å²	77	53 Å²	53	40%	0.403	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-9.6	178.2	-64.8	176.8	0	0	0	113	G569 T573 V693 R694	G569-L571 PolarHBondContact O-N 2.94Å; G569-L571 VanDerWaalsContact O-N 3.13Å; L571-T573 PolarHBondContact O-N 2.91Å; L571-V693 HydrophobicContact CB-CB 4.28Å; L571-V693 HydrophobicContact CB-CG1 3.81Å; L571-R694 VanDerWaalsContact CD1-C 3.48Å; L571-R694 WeakPolarHBondContact CD1-O 3.41Å
572	K	88.2	Confident	90.1	Very high	47 Å²	47	50.6 Å²	50.6	20%	0.204	30%	0.295	C	S	.	.	S	Bend	trans	-60.3	132.3	166.2	-174.5	-177.7	171.3	-170.1	0	107.7	R96 D564 L567 G569 V693	R96-K572 PolarHBondContact NH2-O 3.03Å; D564-K572 PolarHBondContact O-NZ 3.22Å; D564-K572 WeakPolarHBondContact OD1-CE 3.32Å; D564-K572 IonicContact OD1-NZ 3.1Å; D564-K572 PolarHBondContact OD1-NZ 3.32Å; D564-K572 IonicContact OD2-NZ 2.89Å; D564-K572 PolarHBondContact OD2-NZ 2.91Å; L567-K572 HydrophobicContact CB-CD 4.28Å; L567-K572 WeakPolarHBondContact O-CD 3.31Å; G569-K572 WeakPolarHBondContact O-CB 3.43Å; G569-K572 PolarHBondContact O-N 3.28Å; G569-K572 VanDerWaalsContact O-N 3.09Å; K572-V693 HydrophobicContact CB-CG2 4.15Å
573	T	82	Confident	90.4	Very high	48 Å²	48	49 Å²	49	29%	0.294	28%	0.279	S	S	.	.			trans	-78.7	138.3	174.7	48.8	0	0	0	0	108.9	L571 N575 F576	L571-T573 PolarHBondContact O-N 2.91Å; T573-N575 PolarHBondContact O-N 2.69Å; T573-F576 WeakPolarHBondContact O-CB 3.4Å; T573-F576 PolarHBondContact O-N 3.04Å; T573-F576 WeakPolarHBondContact OG1-CA 3.36Å
574	D	78.9	Confident	90.6	Very high	149 Å²	149	50.5 Å²	50.5	80%	0.797	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-35	178.3	-55.2	-43.8	0	0	0	110.7	F576	D574-F576 PolarHBondContact O-N 3.31Å
575	N	85.2	Confident	90.8	Very high	122 Å²	122	48.3 Å²	48.3	65%	0.652	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	54.9	173.8	-61.5	-13.5	0	0	0	110.9	T573 Q578	T573-N575 PolarHBondContact O-N 2.69Å; N575-Q578 VanDerWaalsContact O-CG 3.25Å; N575-Q578 WeakPolarHBondContact O-CG 3.38Å; N575-Q578 PolarHBondContact O-NE2 2.95Å
576	F	90.5	Very high	91	Very high	6 Å²	6	48 Å²	48	3%	0.026	25%	0.254	C	S	.	.			trans	-68.6	-43.7	177.2	175.1	-101.6	0	0	0	112	L563 D564 L567 T573 D574 Q578 R581 F614 V619	L563-F576 HydrophobicContact CB-CE1 4.04Å; L563-F576 HydrophobicContact CB-CZ 4.38Å; D564-F576 HydrophobicContact CB-CD1 4.02Å; D564-F576 WeakPolarHBondContact OD1-CB 3.42Å; D564-F576 WeakPolarHBondContact OD1-CD1 3.49Å; L567-F576 HydrophobicContact CD1-CE1 4.03Å; L567-F576 HydrophobicContact CD1-CE2 3.95Å; L567-F576 HydrophobicContact CD1-CZ 3.62Å; T573-F576 WeakPolarHBondContact O-CB 3.4Å; T573-F576 PolarHBondContact O-N 3.04Å; T573-F576 WeakPolarHBondContact OG1-CA 3.36Å; D574-F576 PolarHBondContact O-N 3.31Å; F576-Q578 PolarHBondContact O-N 3.45Å; F576-R581 PolarHBondContact O-NH1 2.77Å; F576-F614 HydrophobicContact CE2-CE2 4.3Å; F576-F614 AromaticContact CE2-CZ 3.99Å; F576-F614 HydrophobicContact CE2-CZ 3.99Å; F576-F614 AromaticContact CZ-CE1 3.93Å; F576-F614 HydrophobicContact CZ-CE1 3.93Å; F576-F614 HydrophobicContact CZ-CE2 4.27Å; F576-F614 AromaticContact CZ-CZ 3.52Å; F576-F614 HydrophobicContact CZ-CZ 3.52Å; F576-V619 HydrophobicContact CE2-CG2 4.38Å
577	V	92.6	Very high	91.2	Very high	54 Å²	54	47.6 Å²	47.6	33%	0.327	25%	0.252	S	S	.	.			trans	-78	106.5	174.2	-176.4	0	0	0	0	108.7	L560 R561 D564	L560-V577 HydrophobicContact CB-CB 4.5Å; L560-V577 HydrophobicContact CB-CG1 4.17Å; L560-V577 HydrophobicContact CB-CG2 4.12Å; L560-V577 HydrophobicContact CD1-CG1 4.44Å; R561-V577 HydrophobicContact CG-CG1 4.15Å; R561-V577 HydrophobicContact CG-CG2 4.24Å; D564-V577 HydrophobicContact CB-CG2 3.85Å
578	Q	93.5	Very high	91.3	Very high	55 Å²	55	48 Å²	48	26%	0.257	25%	0.254	S	S	.	.			trans	-122.8	138.4	176.6	-59.3	-173.8	-1.1	0	0	108.6	N575 F576 H580 R581	N575-Q578 VanDerWaalsContact O-CG 3.25Å; N575-Q578 WeakPolarHBondContact O-CG 3.38Å; N575-Q578 PolarHBondContact O-NE2 2.95Å; F576-Q578 PolarHBondContact O-N 3.45Å; Q578-H580 PolarHBondContact O-N 3.26Å; Q578-H580 PolarHBondContact OE1-CE1 3.11Å; Q578-H580 PolarHBondContact OE1-NE2 3.19Å; Q578-R581 HydrophobicContact CB-CB 4.13Å; Q578-R581 WeakPolarHBondContact O-CB 3.15Å; Q578-R581 PolarHBondContact O-N 2.95Å
579	R	93.8	Very high	91.3	Very high	57 Å²	57	44.6 Å²	44.6	22%	0.215	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-31.6	-175.5	-62.5	-170.2	-64.7	161.3	-7.4	114	N372 N406 E412	N372-R579 WeakPolarHBondContact CB-O 3.43Å; N372-R579 WeakPolarHBondContact O-CB 3.45Å; N406-R579 HydrophobicContact CB-CB 4.27Å; E412-R579 IonicContact OE1-CZ 3.8Å; E412-R579 VanDerWaalsContact OE1-CZ 3.27Å; E412-R579 IonicContact OE1-NH1 2.89Å; E412-R579 PolarHBondContact OE1-NH1 2.51Å; E412-R579 IonicContact OE1-NH2 3.37Å; E412-R579 PolarHBondContact OE1-NH2 3.11Å; E412-R579 IonicContact OE2-CZ 3.22Å; E412-R579 VanDerWaalsContact OE2-CZ 3.24Å; E412-R579 IonicContact OE2-NH1 3.83Å; E412-R579 PolarHBondContact OE2-NH1 3.15Å; E412-R579 IonicContact OE2-NH2 2.78Å; E412-R579 PolarHBondContact OE2-NH2 3.09Å
580	H	94.9	Very high	91.5	Very high	26 Å²	26	44.1 Å²	44.1	12%	0.12	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-2.9	-177.5	69.5	-94	0	0	0	114.2	T369 N372 R373 Q578 N615	T369-H580 HydrophobicContact CG2-CB 4.12Å; N372-H580 HydrophobicContact CB-CB 3.84Å; R373-H580 HydrophobicContact CG-CB 3.57Å; R373-H580 PolarHBondContact NE-CD2 2.79Å; R373-H580 PolarHBondContact NE-NE2 3.28Å; R373-H580 PolarHBondContact NH2-CD2 2.98Å; R373-H580 VanDerWaalsContact NH2-CD2 3.28Å; R373-H580 PolarHBondContact NH2-NE2 3.43Å; Q578-H580 PolarHBondContact O-N 3.26Å; Q578-H580 PolarHBondContact OE1-CE1 3.11Å; Q578-H580 PolarHBondContact OE1-NE2 3.19Å; H580-N615 PolarHBondContact O-ND2 3.35Å
581	R	96.3	Very high	91.6	Very high	12 Å²	12	41 Å²	41	5%	0.045	20%	0.202	C	C	.	.			trans	-86.5	135.9	176.4	179	169.4	-66.7	142.5	6.7	108.7	L560 F576 Q578 F614 N615 D616	L560-R581 HydrophobicContact CD1-CB 3.79Å; L560-R581 HydrophobicContact CD1-CG 3.94Å; L560-R581 WeakPolarHBondContact CD1-O 3.35Å; L560-R581 HydrophobicContact CD2-CG 4.11Å; F576-R581 PolarHBondContact O-NH1 2.77Å; Q578-R581 HydrophobicContact CB-CB 4.13Å; Q578-R581 WeakPolarHBondContact O-CB 3.15Å; Q578-R581 PolarHBondContact O-N 2.95Å; R581-F614 HydrophobicContact CG-CB 4.02Å; R581-F614 HydrophobicContact CG-CD1 3.71Å; R581-F614 HydrophobicContact CG-CG 4.08Å; R581-N615 WeakPolarHBondContact CA-OD1 3.39Å; R581-D616 WeakPolarHBondContact CG-OD1 3.44Å; R581-D616 IonicContact CZ-OD1 2.78Å; R581-D616 IonicContact CZ-OD2 2.72Å; R581-D616 IonicContact NE-OD1 3.2Å; R581-D616 PolarHBondContact NE-OD1 3.37Å; R581-D616 IonicContact NE-OD2 2.99Å; R581-D616 PolarHBondContact NE-OD2 3.48Å; R581-D616 IonicContact NH2-OD1 2.6Å; R581-D616 IonicContact NH2-OD2 2.83Å; R581-D616 PolarHBondContact NH2-OD2 3.31Å
582	R	95.3	Very high	91.7	Very high	35 Å²	35	37.7 Å²	37.7	13%	0.132	19%	0.185	C	C	.	.			trans	-128.5	132.6	177.9	179.7	176.2	63.9	-120.9	-11.8	109.4	N404 P556 F614 N615 E749	N404-R582 WeakPolarHBondContact OD1-CD 3.44Å; N404-R582 PolarHBondContact OD1-NE 2.98Å; N404-R582 PolarHBondContact OD1-NH1 3.17Å; P556-R582 HydrophobicContact CB-CG 4.47Å; R582-F614 CarbonylContact O-C 3.51Å; R582-F614 WeakPolarHBondContact O-CA 3.33Å; R582-F614 WeakPolarHBondContact O-CB 3.17Å; R582-N615 PolarHBondContact N-OD1 2.79Å; R582-N615 PolarHBondContact O-N 3.31Å; R582-N615 VanDerWaalsContact O-N 3.1Å; R582-E749 IonicContact NH2-OE2 2.98Å; R582-E749 PolarHBondContact NH2-OE2 3.35Å
583	F	95.9	Very high	91.6	Very high	15 Å²	15	42.6 Å²	42.6	7%	0.066	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	127	171.4	-178.4	-109.8	0	0	0	110	K559 L560 L563 G585 R586 L612 F614 T682 P684	K559-F583 HydrophobicContact CB-CB 4.44Å; K559-F583 HydrophobicContact CD-CD1 4.49Å; L560-F583 HydrophobicContact CD2-CB 4.3Å; L563-F583 HydrophobicContact CD1-CB 4.44Å; L563-F583 HydrophobicContact CD1-CD2 3.55Å; L563-F583 HydrophobicContact CD1-CE2 3.87Å; L563-F583 HydrophobicContact CD1-CG 3.98Å; F583-G585 VanDerWaalsContact CE2-O 3.28Å; F583-G585 WeakPolarHBondContact CE2-O 3.47Å; F583-G585 WeakPolarHBondContact CZ-O 3.25Å; F583-R586 HydrophobicContact CZ-CB 4.01Å; F583-R586 HydrophobicContact CZ-CG 4.38Å; F583-L612 HydrophobicContact CE2-CB 4.24Å; F583-L612 HydrophobicContact CE2-CD2 4.09Å; F583-F614 HydrophobicContact CB-CD1 4.18Å; F583-F614 HydrophobicContact CB-CE1 4.04Å; F583-F614 HydrophobicContact CD2-CD1 4.2Å; F583-F614 AromaticContact CD2-CE1 3.67Å; F583-F614 HydrophobicContact CD2-CE1 3.67Å; F583-F614 AromaticContact CD2-CZ 3.91Å; F583-F614 HydrophobicContact CD2-CZ 3.91Å; F583-F614 HydrophobicContact CG-CE1 4.34Å; F583-T682 VanDerWaalsContact CE1-O 3.29Å; F583-T682 WeakPolarHBondContact CE1-O 3.26Å; F583-P684 HydrophobicContact CE1-CB 4.27Å
584	I	95.7	Very high	91.7	Very high	33 Å²	33	46.7 Å²	46.7	17%	0.169	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-45.9	179.3	-63.6	176.8	0	0	0	110.2	I613 N615 W742 S746	I584-I613 HydrophobicContact CB-CG2 4.22Å; I584-I613 WeakPolarHBondContact CB-O 3.25Å; I584-I613 HydrophobicContact CD1-CG2 4.32Å; I584-I613 PolarHBondContact N-O 3.32Å; I584-N615 HydrophobicContact CD1-CB 4.39Å; I584-W742 HydrophobicContact CG2-CB 3.95Å; I584-W742 VanDerWaalsContact CG2-CD1 3.41Å; I584-W742 HydrophobicContact CG2-CD2 3.97Å; I584-W742 HydrophobicContact CG2-CG 3.52Å; I584-S746 WeakPolarHBondContact CD1-OG 3.23Å
585	G	94.7	Very high	91.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.2	176.9	179.7	0	0	0	0	0	114	F583 I613 S681	F583-G585 VanDerWaalsContact CE2-O 3.28Å; F583-G585 WeakPolarHBondContact CE2-O 3.47Å; F583-G585 WeakPolarHBondContact CZ-O 3.25Å; G585-I613 PolarHBondContact N-O 2.87Å; G585-I613 PolarHBondContact O-N 3.2Å; G585-S681 CarbonylContact C-O 3.6Å; G585-S681 VanDerWaalsContact CA-O 3.29Å; G585-S681 WeakPolarHBondContact CA-O 3.36Å
586	R	94.2	Very high	91.8	Very high	55 Å²	55	39.8 Å²	39.8	21%	0.208	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	142.9	176.6	64	-177.5	-179.4	107.7	8.8	112.1	F583 L611 L612 C680 S681 E683 F685	F583-R586 HydrophobicContact CZ-CB 4.01Å; F583-R586 HydrophobicContact CZ-CG 4.38Å; R586-L611 CarbonylContact C-O 3.26Å; R586-L611 WeakPolarHBondContact CA-O 3.13Å; R586-L612 HydrophobicContact CB-CD2 3.61Å; R586-C680 WeakPolarHBondContact O-CA 3.16Å; R586-S681 PolarHBondContact N-O 3.35Å; R586-S681 PolarHBondContact O-N 3.27Å; R586-E683 WeakPolarHBondContact CD-O 3.47Å; R586-E683 PolarHBondContact NE-O 3.28Å; R586-F685 VanDerWaalsContact NH1-CD1 3.27Å
587	I	94.1	Very high	91.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	132.1	177	-58	-173.5	0	0	0	110.7	H610 L611 I613 F679 C680 M730 F739 W742	I587-H610 CarbonylContact O-C 3.56Å; I587-H610 WeakPolarHBondContact O-CA 3.46Å; I587-L611 PolarHBondContact N-O 3.5Å; I587-L611 PolarHBondContact O-N 3.13Å; I587-I613 HydrophobicContact CD1-CD1 4.31Å; I587-I613 HydrophobicContact CG1-CD1 4.35Å; I587-F679 CarbonylContact C-O 3.49Å; I587-F679 VanDerWaalsContact CA-O 3.22Å; I587-F679 WeakPolarHBondContact CA-O 3.5Å; I587-C680 HydrophobicContact CG1-CB 4.43Å; I587-M730 HydrophobicContact CG2-SD 4.02Å; I587-F739 HydrophobicContact CD1-CB 3.52Å; I587-F739 HydrophobicContact CD1-CD2 4.07Å; I587-F739 HydrophobicContact CD1-CG 4.29Å; I587-W742 HydrophobicContact CD1-CE3 3.72Å; I587-W742 HydrophobicContact CD1-CZ3 3.61Å; I587-W742 HydrophobicContact CG1-CE3 4.05Å; I587-W742 HydrophobicContact CG1-CZ3 3.52Å
588	L	93	Very high	90.3	Very high	12 Å²	12	49.7 Å²	49.7	6%	0.063	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	123.2	169.2	177.1	62.3	0	0	0	109.8	W608 F679 P731	L588-W608 HydrophobicContact CD1-CB 4.44Å; L588-W608 HydrophobicContact CD1-CE3 3.76Å; L588-W608 HydrophobicContact CD1-CZ3 4.43Å; L588-W608 HydrophobicContact CD2-CE3 4.3Å; L588-W608 HydrophobicContact CD2-CZ3 4.34Å; L588-W608 HydrophobicContact CG-CE3 3.74Å; L588-W608 HydrophobicContact CG-CZ3 3.9Å; L588-F679 HydrophobicContact CB-CD1 4.05Å; L588-F679 HydrophobicContact CD2-CD1 3.92Å; L588-F679 HydrophobicContact CD2-CE1 3.95Å; L588-F679 HydrophobicContact CG-CD1 4.16Å; L588-F679 HydrophobicContact CG-CE1 4.49Å; L588-F679 PolarHBondContact N-O 3.12Å; L588-P731 WeakPolarHBondContact O-CD 3.23Å
589	T	92.5	Very high	89.2	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	165.2	-173.9	-174.8	0	0	0	0	111.4	W608 R609 L611 L728 N729	T589-W608 CarbonylContact O-C 3.48Å; T589-W608 WeakPolarHBondContact O-CA 3.38Å; T589-R609 HydrophobicContact CG2-CB 4.49Å; T589-R609 PolarHBondContact N-O 2.79Å; T589-R609 PolarHBondContact O-N 3.31Å; T589-R609 VanDerWaalsContact O-O 3.13Å; T589-L611 HydrophobicContact CG2-CD1 3.77Å; T589-L611 HydrophobicContact CG2-CD2 3.87Å; T589-L611 HydrophobicContact CG2-CG 3.56Å; T589-L728 HydrophobicContact CG2-CD2 3.81Å; T589-N729 PolarHBondContact OG1-O 3.31Å
590	Q	91.5	Very high	88.1	Confident	22 Å²	22	57.7 Å²	57.7	10%	0.103	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	120.4	170.3	-177.9	-178.8	17.7	0	0	110.2	L728 N729	Q590-L728 CarbonylContact O-C 3.56Å; Q590-L728 WeakPolarHBondContact O-CA 3.49Å; Q590-N729 HydrophobicContact CB-CB 4.32Å; Q590-N729 PolarHBondContact N-O 3.33Å; Q590-N729 VanDerWaalsContact N-O 3.07Å; Q590-N729 PolarHBondContact O-N 3.01Å
591	E	92.4	Very high	86.6	Confident	35 Å²	35	58.7 Å²	58.7	16%	0.164	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	127.1	171.7	-173.8	-167.7	173.4	0	0	110.1	R607 R609 I726	E591-R607 HydrophobicContact CB-CB 4.01Å; E591-R607 WeakPolarHBondContact CB-O 3.26Å; E591-R607 PolarHBondContact N-O 3.25Å; E591-R607 IonicContact OE1-CZ 2.75Å; E591-R607 IonicContact OE1-NE 2.84Å; E591-R607 IonicContact OE1-NH2 2.96Å; E591-R607 PolarHBondContact OE1-NH2 2.92Å; E591-R607 IonicContact OE2-CZ 3.27Å; E591-R607 IonicContact OE2-NE 2.91Å; E591-R607 PolarHBondContact OE2-NE 3.45Å; E591-R607 VanDerWaalsContact OE2-NE 3.1Å; E591-R607 IonicContact OE2-NH2 2.73Å; E591-R607 PolarHBondContact OE2-NH2 3.24Å; E591-R609 HydrophobicContact CB-CG 3.88Å; E591-R609 IonicContact OE2-CZ 2.8Å; E591-R609 IonicContact OE2-NE 3.32Å; E591-R609 PolarHBondContact OE2-NE 3.37Å; E591-R609 IonicContact OE2-NH2 3.31Å; E591-R609 PolarHBondContact OE2-NH2 3.36Å; E591-I726 HydrophobicContact CG-CD1 4.37Å; E591-I726 HydrophobicContact CG-CG1 4.45Å
592	I	90.6	Very high	84.9	Confident	9 Å²	9	60.4 Å²	60.4	5%	0.046	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	133.3	-177.9	-55.4	171.1	0	0	0	110.1	K594 F707 Y712 S727 N729	I592-K594 VanDerWaalsContact CG2-C 3.45Å; I592-K594 WeakPolarHBondContact CG2-O 3.48Å; I592-F707 HydrophobicContact CD1-CE2 4.42Å; I592-F707 HydrophobicContact CD1-CZ 3.85Å; I592-Y712 HydrophobicContact CD1-CD1 3.77Å; I592-Y712 HydrophobicContact CD1-CD2 3.67Å; I592-Y712 HydrophobicContact CD1-CE1 4.01Å; I592-Y712 HydrophobicContact CD1-CE2 3.92Å; I592-Y712 HydrophobicContact CD1-CG 3.59Å; I592-Y712 HydrophobicContact CG1-CD1 4.22Å; I592-Y712 HydrophobicContact CG1-CD2 4.48Å; I592-Y712 HydrophobicContact CG1-CE1 3.98Å; I592-Y712 HydrophobicContact CG1-CE2 4.26Å; I592-Y712 HydrophobicContact CG1-CG 4.46Å; I592-Y712 HydrophobicContact CG2-CD2 4.28Å; I592-Y712 HydrophobicContact CG2-CE2 3.56Å; I592-S727 PolarHBondContact N-O 2.99Å; I592-N729 HydrophobicContact CD1-CB 3.6Å; I592-N729 HydrophobicContact CG1-CB 4.03Å
593	E	85.8	Confident	83.1	Confident	150 Å²	150	67.2 Å²	67.2	70%	0.701	32%	0.324	S	S	*	.	S	Bend	trans	-85.4	-41	173.4	-169.7	-179.3	156.1	0	0	112.5
594	K	84.3	Confident	81.2	Confident	133 Å²	133	73.6 Å²	73.6	58%	0.578	36%	0.358	S	S	*	.			trans	-135.6	130.5	178.5	-62.5	-175.8	-178.3	-178.4	0	110.3	I592 A596 P597 Y712	I592-K594 VanDerWaalsContact CG2-C 3.45Å; I592-K594 WeakPolarHBondContact CG2-O 3.48Å; K594-A596 VanDerWaalsContact C-N 3.3Å; K594-A596 PolarHBondContact O-N 3.31Å; K594-P597 WeakPolarHBondContact O-CD 3.43Å; K594-Y712 WeakPolarHBondContact O-CE2 3.43Å
595	I	83	Confident	79.5	Confident	54 Å²	54	77.5 Å²	77.5	28%	0.277	38%	0.38	S	S	.	.	S	Bend	trans	-63.3	-35.8	-179.5	-66.7	174.5	0	0	0	111.9	F707 S709 Y712	I595-F707 HydrophobicContact CB-CE2 4.34Å; I595-F707 HydrophobicContact CD1-CD1 4.26Å; I595-F707 HydrophobicContact CD1-CE1 4.15Å; I595-F707 HydrophobicContact CD1-CZ 4.31Å; I595-F707 HydrophobicContact CG1-CE1 4.21Å; I595-F707 HydrophobicContact CG1-CE2 4.09Å; I595-F707 HydrophobicContact CG1-CZ 3.89Å; I595-F707 HydrophobicContact CG2-CD2 3.69Å; I595-F707 HydrophobicContact CG2-CE2 3.64Å; I595-F707 HydrophobicContact CG2-CG 4.41Å; I595-F707 HydrophobicContact CG2-CZ 4.32Å; I595-S709 PolarHBondContact O-OG 3.42Å; I595-Y712 WeakPolarHBondContact O-CD2 3.39Å; I595-Y712 WeakPolarHBondContact O-CE2 3.45Å
596	A	82.5	Confident	78.3	Confident	72 Å²	72	78.7 Å²	78.7	60%	0.595	39%	0.389	S	S	*	.	S	Bend	trans	-123.4	80.5	175.7	0	0	0	0	0	109.8	K594 Y711	K594-A596 VanDerWaalsContact C-N 3.3Å; K594-A596 PolarHBondContact O-N 3.31Å; A596-Y711 HydrophobicContact CB-CE2 4.37Å
597	P	78.9	Confident	77.8	Confident	16 Å²	16	80 Å²	80	10%	0.104	40%	0.395	C	S	.	.			trans	-73	147	178.6	33.3	-35.3	0	0	0	110.3	K594 K599 Y711 Y712	K594-P597 WeakPolarHBondContact O-CD 3.43Å; P597-K599 WeakPolarHBondContact CB-O 3.5Å; P597-K599 PolarHBondContact O-N 3.14Å; P597-Y711 HydrophobicContact CG-CD1 4.47Å; P597-Y711 HydrophobicContact CG-CD2 4.47Å; P597-Y711 HydrophobicContact CG-CG 4.24Å; P597-Y712 HydrophobicContact CG-CE2 4.3Å
598	R	73.9	Confident	77.6	Confident	252 Å²	252	81.3 Å²	81.3	95%	0.951	40%	0.4	S	S	*	.	S	Bend	trans	-64.3	-26.9	173.4	-68	-176.1	-179	175.2	-0.5	112.6
599	K	70.9	Confident	77.5	Confident	185 Å²	185	81.7 Å²	81.7	80%	0.804	40%	0.4	S	S	*	.	S	Bend	trans	-142.4	133.5	174.9	-67.5	-175	179.7	-178.7	0	108.4	P597	P597-K599 WeakPolarHBondContact CB-O 3.5Å; P597-K599 PolarHBondContact O-N 3.14Å
600	L	69.8	Low	77.6	Confident	95 Å²	95	82.8 Å²	82.8	50%	0.497	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-58.1	139.6	173.9	-81	152.3	0	0	0	110.1	G602 Y711	L600-G602 PolarHBondContact O-N 3.33Å; L600-Y711 HydrophobicContact CD1-CD1 3.98Å; L600-Y711 HydrophobicContact CD2-CD1 3.88Å; L600-Y711 HydrophobicContact CD2-CG 4.36Å; L600-Y711 HydrophobicContact CG-CD1 3.69Å; L600-Y711 HydrophobicContact CG-CE1 4.36Å
601	P	63.8	Low	77.7	Confident	47 Å²	47	81.7 Å²	81.7	31%	0.305	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-58.6	131.3	172.9	23.3	-29.9	0	0	0	108.7	N605	P601-N605 HydrophobicContact CB-CB 4.48Å
602	G	60.7	Low	77.9	Confident	48 Å²	48	80 Å²	80	50%	0.495	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-54.6	153.6	176.8	0	0	0	0	0	111.1	L600 N604 N605	L600-G602 PolarHBondContact O-N 3.33Å; G602-N604 PolarHBondContact O-N 3.24Å; G602-N605 WeakPolarHBondContact O-CA 3.33Å; G602-N605 PolarHBondContact O-N 2.81Å
603	R	57.7	Low	78.2	Confident	179 Å²	179	79.6 Å²	79.6	68%	0.675	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-48.6	-33.5	-175.3	-150.1	-177.8	-164.5	-177.7	7.2	113.7
604	N	55.1	Low	78.7	Confident	148 Å²	148	72.5 Å²	72.5	79%	0.791	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-85.1	-8.9	-179.6	-63	-12.8	0	0	0	114.3	G602	G602-N604 PolarHBondContact O-N 3.24Å
605	N	60.5	Low	79.3	Confident	115 Å²	115	66.1 Å²	66.1	62%	0.615	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-108.1	13.6	-178.9	-157	18.3	0	0	0	112.6	P601 G602 R607	P601-N605 HydrophobicContact CB-CB 4.48Å; G602-N605 WeakPolarHBondContact O-CA 3.33Å; G602-N605 PolarHBondContact O-N 2.81Å; N605-R607 PolarHBondContact O-N 3.4Å
606	A	68.8	Low	79.9	Confident	25 Å²	25	64.3 Å²	64.3	21%	0.207	32%	0.32	C	S	.	.			trans	-66.9	114.7	173	0	0	0	0	0	109.4	W608	A606-W608 PolarHBondContact O-N 3.34Å
607	R	84.8	Confident	80.5	Confident	84 Å²	84	61.6 Å²	61.6	32%	0.317	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	67.3	-179.4	-70.7	174.1	65.1	149.1	-0.8	111	E591 N605 R609	E591-R607 HydrophobicContact CB-CB 4.01Å; E591-R607 WeakPolarHBondContact CB-O 3.26Å; E591-R607 PolarHBondContact N-O 3.25Å; E591-R607 IonicContact OE1-CZ 2.75Å; E591-R607 IonicContact OE1-NE 2.84Å; E591-R607 IonicContact OE1-NH2 2.96Å; E591-R607 PolarHBondContact OE1-NH2 2.92Å; E591-R607 IonicContact OE2-CZ 3.27Å; E591-R607 IonicContact OE2-NE 2.91Å; E591-R607 PolarHBondContact OE2-NE 3.45Å; E591-R607 VanDerWaalsContact OE2-NE 3.1Å; E591-R607 IonicContact OE2-NH2 2.73Å; E591-R607 PolarHBondContact OE2-NH2 3.24Å; N605-R607 PolarHBondContact O-N 3.4Å; R607-R609 VanDerWaalsContact NE-NH2 3.17Å; R607-R609 PolarHBondContact O-N 3.09Å
608	W	88.3	Confident	81.3	Confident	27 Å²	27	60.9 Å²	60.9	10%	0.102	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	133.1	175.1	-71.5	97.9	0	0	0	111.7	L588 T589 A606 I635 A639 F643 F679	L588-W608 HydrophobicContact CD1-CB 4.44Å; L588-W608 HydrophobicContact CD1-CE3 3.76Å; L588-W608 HydrophobicContact CD1-CZ3 4.43Å; L588-W608 HydrophobicContact CD2-CE3 4.3Å; L588-W608 HydrophobicContact CD2-CZ3 4.34Å; L588-W608 HydrophobicContact CG-CE3 3.74Å; L588-W608 HydrophobicContact CG-CZ3 3.9Å; T589-W608 CarbonylContact O-C 3.48Å; T589-W608 WeakPolarHBondContact O-CA 3.38Å; A606-W608 PolarHBondContact O-N 3.34Å; W608-I635 HydrophobicContact CB-CG2 4.32Å; W608-I635 HydrophobicContact CG-CG2 4.27Å; W608-A639 HydrophobicContact CD2-CB 4.48Å; W608-A639 HydrophobicContact CH2-CB 3.73Å; W608-A639 HydrophobicContact CZ2-CB 3.11Å; W608-F643 AromaticContact CH2-CD2 3.81Å; W608-F643 HydrophobicContact CH2-CD2 3.81Å; W608-F643 AromaticContact CH2-CE2 3.23Å; W608-F643 HydrophobicContact CH2-CE2 3.23Å; W608-F643 HydrophobicContact CH2-CZ 4.27Å; W608-F643 AromaticContact CZ2-CD2 3.78Å; W608-F643 HydrophobicContact CZ2-CD2 3.78Å; W608-F643 AromaticContact CZ2-CE2 3.49Å; W608-F643 HydrophobicContact CZ2-CE2 3.49Å; W608-F643 VanDerWaalsContact CZ2-CE2 3.49Å; W608-F643 HydrophobicContact CZ3-CE2 4.31Å; W608-F679 HydrophobicContact CH2-CE1 4.46Å; W608-F679 HydrophobicContact CZ3-CE1 4.35Å
609	R	92.3	Very high	82.4	Confident	20 Å²	20	49 Å²	49	8%	0.075	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	145.1	179.2	-59.6	-62.8	179.1	-96	-6.4	109.6	T589 E591 R607 V620 V621	T589-R609 HydrophobicContact CG2-CB 4.49Å; T589-R609 PolarHBondContact N-O 2.79Å; T589-R609 PolarHBondContact O-N 3.31Å; T589-R609 VanDerWaalsContact O-O 3.13Å; E591-R609 HydrophobicContact CB-CG 3.88Å; E591-R609 IonicContact OE2-CZ 2.8Å; E591-R609 IonicContact OE2-NE 3.32Å; E591-R609 PolarHBondContact OE2-NE 3.37Å; E591-R609 IonicContact OE2-NH2 3.31Å; E591-R609 PolarHBondContact OE2-NH2 3.36Å; R607-R609 VanDerWaalsContact NE-NH2 3.17Å; R607-R609 PolarHBondContact O-N 3.09Å; R609-V620 HydrophobicContact CB-CG1 3.73Å; R609-V620 HydrophobicContact CG-CG1 3.75Å; R609-V621 WeakPolarHBondContact CA-O 3.45Å
610	H	92.9	Very high	83.6	Confident	22 Å²	22	40.2 Å²	40.2	10%	0.102	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	132.6	160.3	-65.9	-87.9	0	0	0	108.9	I587 V621 F685 F691	I587-H610 CarbonylContact O-C 3.56Å; I587-H610 WeakPolarHBondContact O-CA 3.46Å; H610-V621 HydrophobicContact CB-CG2 3.67Å; H610-V621 PolarHBondContact N-O 3.04Å; H610-V621 PolarHBondContact O-N 3.26Å; H610-F685 HydrophobicContact CB-CE1 4.3Å; H610-F685 HydrophobicContact CB-CZ 3.66Å; H610-F685 AromaticContact CE1-CE1 3.99Å; H610-F685 AromaticContact CG-CE1 3.83Å; H610-F685 AromaticContact CG-CZ 3.68Å; H610-F685 AromaticContact ND1-CE1 3.73Å; H610-F691 AromaticContact CD2-CE1 3.62Å; H610-F691 AromaticContact NE2-CE1 3.88Å
611	L	95.6	Very high	84.7	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	128.6	167.4	-54.9	-175.1	0	0	0	107.8	R586 I587 T589 L618 V620 L728 M730 F739	R586-L611 CarbonylContact C-O 3.26Å; R586-L611 WeakPolarHBondContact CA-O 3.13Å; I587-L611 PolarHBondContact N-O 3.5Å; I587-L611 PolarHBondContact O-N 3.13Å; T589-L611 HydrophobicContact CG2-CD1 3.77Å; T589-L611 HydrophobicContact CG2-CD2 3.87Å; T589-L611 HydrophobicContact CG2-CG 3.56Å; L611-L618 HydrophobicContact CB-CD1 4.06Å; L611-V620 HydrophobicContact CD2-CB 4.43Å; L611-V620 HydrophobicContact CD2-CG1 4.18Å; L611-V620 HydrophobicContact CD2-CG2 3.85Å; L611-L728 HydrophobicContact CD1-CD1 3.63Å; L611-L728 HydrophobicContact CD2-CD1 4.47Å; L611-L728 HydrophobicContact CD2-CD2 4.36Å; L611-M730 HydrophobicContact CD1-CE 4.15Å; L611-F739 HydrophobicContact CD1-CD2 3.88Å; L611-F739 HydrophobicContact CD1-CE2 3.46Å; L611-F739 VanDerWaalsContact CD1-CE2 3.46Å; L611-F739 HydrophobicContact CD1-CZ 4.08Å
612	L	95.8	Very high	86	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	117.3	169.1	-54.5	179.7	0	0	0	107.6	L563 L567 F583 R586 F614 V619 V621 F685	L563-L612 HydrophobicContact CD2-CD1 4.3Å; L567-L612 HydrophobicContact CD1-CD1 4.13Å; L567-L612 HydrophobicContact CD2-CD1 3.95Å; F583-L612 HydrophobicContact CE2-CB 4.24Å; F583-L612 HydrophobicContact CE2-CD2 4.09Å; R586-L612 HydrophobicContact CB-CD2 3.61Å; L612-F614 HydrophobicContact CB-CE2 3.63Å; L612-F614 HydrophobicContact CB-CZ 4.05Å; L612-V619 HydrophobicContact CB-CB 4.2Å; L612-V619 PolarHBondContact N-O 3.42Å; L612-V619 PolarHBondContact O-N 3.18Å; L612-V621 HydrophobicContact CD1-CG1 4.05Å; L612-V621 HydrophobicContact CD1-CG2 4.45Å; L612-V621 HydrophobicContact CG-CG1 4.47Å; L612-V621 HydrophobicContact CG-CG2 4.44Å; L612-F685 HydrophobicContact CD1-CE2 4.08Å; L612-F685 HydrophobicContact CD2-CD2 4.39Å; L612-F685 HydrophobicContact CD2-CE2 3.55Å; L612-F685 HydrophobicContact CD2-CZ 3.82Å; L612-F685 HydrophobicContact CG-CE2 4.26Å
613	I	96.9	Very high	87.1	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	123.7	-173.8	-59.5	144.1	0	0	0	107.5	I584 G585 I587 L618 F699 F739 W742	I584-I613 HydrophobicContact CB-CG2 4.22Å; I584-I613 WeakPolarHBondContact CB-O 3.25Å; I584-I613 HydrophobicContact CD1-CG2 4.32Å; I584-I613 PolarHBondContact N-O 3.32Å; G585-I613 PolarHBondContact N-O 2.87Å; G585-I613 PolarHBondContact O-N 3.2Å; I587-I613 HydrophobicContact CD1-CD1 4.31Å; I587-I613 HydrophobicContact CG1-CD1 4.35Å; I613-L618 HydrophobicContact CG1-CD1 3.64Å; I613-F699 HydrophobicContact CG2-CE2 4.03Å; I613-F699 HydrophobicContact CG2-CZ 3.86Å; I613-F739 HydrophobicContact CD1-CD2 3.77Å; I613-F739 HydrophobicContact CD1-CE2 4.04Å; I613-F739 HydrophobicContact CG1-CE2 4.32Å; I613-W742 HydrophobicContact CD1-CB 4.35Å; I613-W742 HydrophobicContact CD1-CD2 4.43Å; I613-W742 HydrophobicContact CD1-CE3 3.51Å; I613-W742 HydrophobicContact CD1-CZ3 4.22Å; I613-W742 HydrophobicContact CG2-CB 4.11Å
614	F	96.8	Very high	88.3	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	172.4	172.5	-55.1	-93.7	0	0	0	109.1	L560 L563 F576 R581 R582 F583 L612 D616 I617 V619 F699 S746	L560-F614 HydrophobicContact CD2-CD1 3.72Å; L560-F614 HydrophobicContact CD2-CE1 3.42Å; L560-F614 VanDerWaalsContact CD2-CE1 3.42Å; L563-F614 HydrophobicContact CD1-CE1 3.98Å; L563-F614 HydrophobicContact CD1-CZ 3.91Å; F576-F614 HydrophobicContact CE2-CE2 4.3Å; F576-F614 AromaticContact CE2-CZ 3.99Å; F576-F614 HydrophobicContact CE2-CZ 3.99Å; F576-F614 AromaticContact CZ-CE1 3.93Å; F576-F614 HydrophobicContact CZ-CE1 3.93Å; F576-F614 HydrophobicContact CZ-CE2 4.27Å; F576-F614 AromaticContact CZ-CZ 3.52Å; F576-F614 HydrophobicContact CZ-CZ 3.52Å; R581-F614 HydrophobicContact CG-CB 4.02Å; R581-F614 HydrophobicContact CG-CD1 3.71Å; R581-F614 HydrophobicContact CG-CG 4.08Å; R582-F614 CarbonylContact O-C 3.51Å; R582-F614 WeakPolarHBondContact O-CA 3.33Å; R582-F614 WeakPolarHBondContact O-CB 3.17Å; F583-F614 HydrophobicContact CB-CD1 4.18Å; F583-F614 HydrophobicContact CB-CE1 4.04Å; F583-F614 HydrophobicContact CD2-CD1 4.2Å; F583-F614 AromaticContact CD2-CE1 3.67Å; F583-F614 HydrophobicContact CD2-CE1 3.67Å; F583-F614 AromaticContact CD2-CZ 3.91Å; F583-F614 HydrophobicContact CD2-CZ 3.91Å; F583-F614 HydrophobicContact CG-CE1 4.34Å; L612-F614 HydrophobicContact CB-CE2 3.63Å; L612-F614 HydrophobicContact CB-CZ 4.05Å; F614-D616 VanDerWaalsContact C-N 3.29Å; F614-D616 PolarHBondContact O-N 3.5Å; F614-I617 WeakPolarHBondContact CA-O 3.24Å; F614-I617 HydrophobicContact CB-CG1 4.06Å; F614-I617 WeakPolarHBondContact CB-O 3.42Å; F614-I617 HydrophobicContact CD2-CD1 4.38Å; F614-I617 HydrophobicContact CD2-CG1 3.82Å; F614-I617 WeakPolarHBondContact CD2-O 3.36Å; F614-I617 HydrophobicContact CG-CG1 4.14Å; F614-I617 PolarHBondContact N-O 3.41Å; F614-V619 HydrophobicContact CD2-CG2 4.07Å; F614-V619 HydrophobicContact CE2-CB 4.12Å; F614-V619 HydrophobicContact CE2-CG2 3.67Å; F614-F699 WeakPolarHBondContact O-CE2 3.44Å; F614-S746 PolarHBondContact O-OG 2.87Å
615	N	95.9	Very high	88.5	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-63.9	-33.8	174	63.8	-42.4	0	0	0	112.8	T369 H580 R581 R582 I584 S746 E749	T369-N615 PolarHBondContact OG1-ND2 2.87Å; H580-N615 PolarHBondContact O-ND2 3.35Å; R581-N615 WeakPolarHBondContact CA-OD1 3.39Å; R582-N615 PolarHBondContact N-OD1 2.79Å; R582-N615 PolarHBondContact O-N 3.31Å; R582-N615 VanDerWaalsContact O-N 3.1Å; I584-N615 HydrophobicContact CD1-CB 4.39Å; N615-S746 WeakPolarHBondContact O-CB 2.99Å; N615-E749 PolarHBondContact ND2-OE1 3.48Å
616	D	95.7	Very high	87.9	Confident	15 Å²	15	29.1 Å²	29.1	8%	0.08	15%	0.149	C	C	.	.	S	Bend	trans	-108.2	-26.6	-173.8	69	-35.5	0	0	0	114.9	R581 F614 F699 M750	R581-D616 WeakPolarHBondContact CG-OD1 3.44Å; R581-D616 IonicContact CZ-OD1 2.78Å; R581-D616 IonicContact CZ-OD2 2.72Å; R581-D616 IonicContact NE-OD1 3.2Å; R581-D616 PolarHBondContact NE-OD1 3.37Å; R581-D616 IonicContact NE-OD2 2.99Å; R581-D616 PolarHBondContact NE-OD2 3.48Å; R581-D616 IonicContact NH2-OD1 2.6Å; R581-D616 IonicContact NH2-OD2 2.83Å; R581-D616 PolarHBondContact NH2-OD2 3.31Å; F614-D616 VanDerWaalsContact C-N 3.29Å; F614-D616 PolarHBondContact O-N 3.5Å; D616-F699 PolarHBondContact O-N 2.97Å; D616-M750 HydrophobicContact CB-CE 4.44Å; D616-M750 HydrophobicContact CB-SD 3.77Å
617	I	95.8	Very high	86.5	Confident	16 Å²	16	33.8 Å²	33.8	8%	0.082	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	154.2	-176.9	63.9	171.7	0	0	0	113.3	F614 V619 V696 Y697 F699	F614-I617 WeakPolarHBondContact CA-O 3.24Å; F614-I617 HydrophobicContact CB-CG1 4.06Å; F614-I617 WeakPolarHBondContact CB-O 3.42Å; F614-I617 HydrophobicContact CD2-CD1 4.38Å; F614-I617 HydrophobicContact CD2-CG1 3.82Å; F614-I617 WeakPolarHBondContact CD2-O 3.36Å; F614-I617 HydrophobicContact CG-CG1 4.14Å; F614-I617 PolarHBondContact N-O 3.41Å; I617-V619 HydrophobicContact CD1-CG2 3.66Å; I617-V619 HydrophobicContact CG1-CG2 4.14Å; I617-V696 HydrophobicContact CB-CG1 4.19Å; I617-V696 HydrophobicContact CD1-CG1 3.97Å; I617-V696 HydrophobicContact CG2-CG1 4.43Å; I617-Y697 CarbonylContact C-O 3.54Å; I617-Y697 WeakPolarHBondContact CA-O 3.39Å; I617-F699 VanDerWaalsContact O-CE2 3.28Å; I617-F699 WeakPolarHBondContact O-CE2 3.45Å
618	L	96.3	Very high	84.1	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.5	164.8	176.5	66.4	0	0	0	109.4	L611 I613 V696 Y697 F699 L718 F739	L611-L618 HydrophobicContact CB-CD1 4.06Å; I613-L618 HydrophobicContact CG1-CD1 3.64Å; L618-V696 CarbonylContact O-C 3.55Å; L618-V696 WeakPolarHBondContact O-CA 3.13Å; L618-Y697 HydrophobicContact CD2-CD2 4.22Å; L618-Y697 PolarHBondContact N-O 3.45Å; L618-Y697 PolarHBondContact O-N 3.01Å; L618-F699 HydrophobicContact CB-CE1 4.37Å; L618-F699 HydrophobicContact CB-CE2 4.07Å; L618-F699 HydrophobicContact CB-CZ 3.8Å; L618-L718 HydrophobicContact CD2-CD1 3.3Å; L618-F739 HydrophobicContact CD1-CE2 4.5Å
619	V	95.8	Very high	81.5	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.4	177.3	-176.6	0	0	0	0	109.8	F576 L612 F614 I617 V621 V693 V696	F576-V619 HydrophobicContact CE2-CG2 4.38Å; L612-V619 HydrophobicContact CB-CB 4.2Å; L612-V619 PolarHBondContact N-O 3.42Å; L612-V619 PolarHBondContact O-N 3.18Å; F614-V619 HydrophobicContact CD2-CG2 4.07Å; F614-V619 HydrophobicContact CE2-CB 4.12Å; F614-V619 HydrophobicContact CE2-CG2 3.67Å; I617-V619 HydrophobicContact CD1-CG2 3.66Å; I617-V619 HydrophobicContact CG1-CG2 4.14Å; V619-V621 HydrophobicContact CG1-CG1 3.71Å; V619-V693 HydrophobicContact CG1-CG1 3.9Å; V619-V693 HydrophobicContact CG1-CG2 4.33Å; V619-V696 HydrophobicContact CG1-CG2 4.26Å; V619-V696 HydrophobicContact CG2-CG1 4.23Å; V619-V696 HydrophobicContact CG2-CG2 4.25Å
620	V	95.5	Very high	78.4	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	123.9	177.3	-173.9	0	0	0	0	109	R609 L611 R694 S695 Y697 I726	R609-V620 HydrophobicContact CB-CG1 3.73Å; R609-V620 HydrophobicContact CG-CG1 3.75Å; L611-V620 HydrophobicContact CD2-CB 4.43Å; L611-V620 HydrophobicContact CD2-CG1 4.18Å; L611-V620 HydrophobicContact CD2-CG2 3.85Å; V620-R694 WeakPolarHBondContact O-CB 3.34Å; V620-R694 PolarHBondContact O-N 3.39Å; V620-S695 WeakPolarHBondContact CB-OG 3.23Å; V620-S695 WeakPolarHBondContact CG2-OG 3.21Å; V620-S695 PolarHBondContact N-O 3.35Å; V620-S695 PolarHBondContact O-N 3.19Å; V620-Y697 HydrophobicContact CG2-CD2 4.24Å; V620-Y697 HydrophobicContact CG2-CE2 3.81Å; V620-I726 HydrophobicContact CG1-CD1 4.5Å; V620-I726 HydrophobicContact CG2-CD1 3.85Å
621	V	94	Very high	75.3	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	150	-175.9	-48.8	0	0	0	0	112.5	L567 R609 H610 L612 V619 F685 F691 Q692 V693	L567-V621 HydrophobicContact CD2-CB 4.48Å; L567-V621 HydrophobicContact CD2-CG1 3.74Å; R609-V621 WeakPolarHBondContact CA-O 3.45Å; H610-V621 HydrophobicContact CB-CG2 3.67Å; H610-V621 PolarHBondContact N-O 3.04Å; H610-V621 PolarHBondContact O-N 3.26Å; L612-V621 HydrophobicContact CD1-CG1 4.05Å; L612-V621 HydrophobicContact CD1-CG2 4.45Å; L612-V621 HydrophobicContact CG-CG1 4.47Å; L612-V621 HydrophobicContact CG-CG2 4.44Å; V619-V621 HydrophobicContact CG1-CG1 3.71Å; V621-F685 HydrophobicContact CG2-CE2 4.18Å; V621-F685 HydrophobicContact CG2-CZ 4.18Å; V621-F691 HydrophobicContact CB-CB 3.96Å; V621-F691 HydrophobicContact CG2-CB 3.84Å; V621-F691 HydrophobicContact CG2-CD1 3.87Å; V621-F691 HydrophobicContact CG2-CG 4.1Å; V621-Q692 CarbonylContact C-O 3.48Å; V621-Q692 VanDerWaalsContact CA-O 3.29Å; V621-Q692 WeakPolarHBondContact CA-O 3.3Å; V621-V693 HydrophobicContact CG1-CG2 4.34Å
622	K	90.8	Very high	72.4	Confident	96 Å²	96	63.2 Å²	63.2	42%	0.417	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.6	173.8	-178.7	-176	175.3	-177.7	0	108.8	L624 F691 Q692 R694	K622-L624 PolarHBondContact O-N 3.03Å; K622-F691 CarbonylContact O-C 3.55Å; K622-F691 WeakPolarHBondContact O-CA 3.32Å; K622-Q692 PolarHBondContact N-O 3.39Å; K622-Q692 PolarHBondContact O-N 3.35Å; K622-R694 HydrophobicContact CB-CG 3.89Å
623	S	84.4	Confident	70	Confident	28 Å²	28	66 Å²	66	20%	0.196	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	134.5	172.7	-176.9	0	0	0	0	110.4
624	L	81.8	Confident	67.3	Low	51 Å²	51	71.3 Å²	71.3	27%	0.267	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	127.5	169.8	-63.2	175.1	0	0	0	107.9	I568 K622 T626 T690 Q692	I568-L624 HydrophobicContact CD1-CD1 3.28Å; I568-L624 HydrophobicContact CG1-CD1 3.81Å; K622-L624 PolarHBondContact O-N 3.03Å; L624-T626 PolarHBondContact O-N 3.02Å; L624-T690 PolarHBondContact N-O 3.35Å; L624-Q692 HydrophobicContact CD1-CB 4.05Å; L624-Q692 HydrophobicContact CD2-CB 4.09Å; L624-Q692 HydrophobicContact CG-CB 4.07Å
625	N	59.4	Low	65	Low	154 Å²	154	74.9 Å²	74.9	82%	0.824	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-47.9	117.6	-174.2	-76.2	-10	0	0	0	111.5	T627	N625-T627 PolarHBondContact O-N 3.46Å
626	T	48.8	Very low	62.5	Low	71 Å²	71	77.5 Å²	77.5	44%	0.436	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-58.5	128.9	166.7	-174.9	0	0	0	0	108.5	L624 R628	L624-T626 PolarHBondContact O-N 3.02Å; T626-R628 PolarHBondContact O-N 3.41Å
627	T	39.3	Very low	60	Low	123 Å²	123	79 Å²	79	76%	0.755	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	63	177.9	45.4	0	0	0	0	109.9	N625	N625-T627 PolarHBondContact O-N 3.46Å
628	R	35	Very low	57.7	Low	226 Å²	226	80.5 Å²	80.5	85%	0.853	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-166	11	165.8	-114.3	173.1	-146.7	-132.2	8.7	118.5	T626	T626-R628 PolarHBondContact O-N 3.41Å
629	L	32.3	Very low	55.5	Low	125 Å²	125	80.8 Å²	80.8	65%	0.654	43%	0.433	S	S	*	.			trans	-130.3	104.5	164.5	-71	171.7	0	0	0	109.7	L634	L629-L634 HydrophobicContact CD1-CD1 3.86Å
630	R	26.9	Very low	53.1	Low	252 Å²	252	82.9 Å²	82.9	95%	0.951	45%	0.446	S	S	*	.			trans	-57.6	140.5	164.9	-76.4	-176.3	173.1	-177.5	-1.1	108.2
631	S	29.1	Very low	51	Low	103 Å²	103	88.3 Å²	88.3	72%	0.72	48%	0.479	S	S	*	.	S	Bend	trans	96.1	127.2	169.7	-144.7	0	0	0	0	115.9	S633	S631-S633 PolarHBondContact O-N 2.96Å
632	G	33.9	Very low	48.7	Very low	65 Å²	65	90 Å²	90	67%	0.67	49%	0.493	S	S	*	.	S	Bend	trans	-67.8	59.1	176.4	0	0	0	0	0	113.2	N636	G632-N636 PolarHBondContact O-ND2 3.47Å
633	S	46.6	Very low	46.7	Very low	59 Å²	59	87.5 Å²	87.5	41%	0.413	48%	0.482	S	S	.	.			trans	-134.8	13.2	-156.4	-172	0	0	0	0	114.6	S631 S637	S631-S633 PolarHBondContact O-N 2.96Å; S633-S637 WeakPolarHBondContact CA-OG 3.44Å; S633-S637 WeakPolarHBondContact O-CB 3.39Å; S633-S637 PolarHBondContact O-OG 3.31Å
634	L	40.3	Very low	44.7	Very low	111 Å²	111	88.8 Å²	88.8	58%	0.581	50%	0.499	S	S	*	.	S	Bend	trans	-119.6	-51.4	171.2	-74.1	174.8	0	0	0	112	L629 S637 V638	L629-L634 HydrophobicContact CD1-CD1 3.86Å; L634-S637 PolarHBondContact O-N 3.01Å; L634-V638 WeakPolarHBondContact O-CB 3.15Å; L634-V638 WeakPolarHBondContact O-CG2 3.48Å; L634-V638 PolarHBondContact O-N 3.31Å
635	I	48.2	Very low	42.7	Very low	74 Å²	74	93.7 Å²	93.7	38%	0.379	53%	0.526	S	S	.	.	H	α-helix	trans	-65.3	-45.4	175.1	-62.2	168.6	0	0	0	110	W608 S637 A639	W608-I635 HydrophobicContact CB-CG2 4.32Å; W608-I635 HydrophobicContact CG-CG2 4.27Å; I635-S637 VanDerWaalsContact C-N 3.34Å; I635-A639 WeakPolarHBondContact O-CB 3.47Å; I635-A639 PolarHBondContact O-N 3.27Å
636	N	42.4	Very low	41.9	Very low	56 Å²	56	91.3 Å²	91.3	30%	0.299	51%	0.51	S	S	.	.	H	α-helix	trans	-66	-36.4	174.2	-75.6	-12.7	0	0	0	111.7	G632 V640	G632-N636 PolarHBondContact O-ND2 3.47Å; N636-V640 WeakPolarHBondContact O-CB 3.25Å; N636-V640 WeakPolarHBondContact O-CG2 3.07Å; N636-V640 PolarHBondContact O-N 3.44Å
637	S	43.4	Very low	41	Very low	46 Å²	46	95.7 Å²	95.7	32%	0.322	53%	0.531	S	S	.	.	H	α-helix	trans	-73.7	-41.3	-178.7	-55.2	0	0	0	0	112.4	S633 L634 I635 V640 V641	S633-S637 WeakPolarHBondContact CA-OG 3.44Å; S633-S637 WeakPolarHBondContact O-CB 3.39Å; S633-S637 PolarHBondContact O-OG 3.31Å; L634-S637 PolarHBondContact O-N 3.01Å; I635-S637 VanDerWaalsContact C-N 3.34Å; S637-V640 WeakPolarHBondContact O-CB 3.44Å; S637-V640 PolarHBondContact O-N 3.12Å; S637-V641 VanDerWaalsContact O-CG2 3.26Å; S637-V641 WeakPolarHBondContact O-CG2 3.43Å; S637-V641 PolarHBondContact O-N 3.26Å
638	V	47.5	Very low	40.5	Very low	47 Å²	47	93 Å²	93	29%	0.285	53%	0.527	S	S	.	.	H	α-helix	trans	-65.8	-42.5	173	169.2	0	0	0	0	110.5	L634 V640 V641 A642 V678 F679	L634-V638 WeakPolarHBondContact O-CB 3.15Å; L634-V638 WeakPolarHBondContact O-CG2 3.48Å; L634-V638 PolarHBondContact O-N 3.31Å; V638-V640 VanDerWaalsContact C-N 3.29Å; V638-V640 PolarHBondContact O-N 3.08Å; V638-V641 PolarHBondContact O-N 3.13Å; V638-A642 WeakPolarHBondContact O-CB 3.43Å; V638-A642 PolarHBondContact O-N 2.87Å; V638-V678 HydrophobicContact CG1-CG1 3.62Å; V638-F679 HydrophobicContact CG1-CE1 3.96Å; V638-F679 HydrophobicContact CG1-CE2 4.11Å; V638-F679 HydrophobicContact CG1-CZ 3.44Å; V638-F679 VanDerWaalsContact CG1-CZ 3.44Å
639	A	49.2	Very low	40.3	Very low	7 Å²	7	87.9 Å²	87.9	6%	0.058	52%	0.522	C	S	.	.	H	α-helix	trans	-59.3	-39.6	170.7	0	0	0	0	0	112.8	W608 I635 A642 F643	W608-A639 HydrophobicContact CD2-CB 4.48Å; W608-A639 HydrophobicContact CH2-CB 3.73Å; W608-A639 HydrophobicContact CZ2-CB 3.11Å; I635-A639 WeakPolarHBondContact O-CB 3.47Å; I635-A639 PolarHBondContact O-N 3.27Å; A639-A642 PolarHBondContact O-N 3.45Å; A639-F643 WeakPolarHBondContact O-CB 3.38Å; A639-F643 WeakPolarHBondContact O-CD2 3.34Å; A639-F643 PolarHBondContact O-N 3.35Å
640	V	47.4	Very low	40.1	Very low	46 Å²	46	94 Å²	94	28%	0.279	54%	0.536	S	S	.	.	H	α-helix	trans	-69.9	-38.7	178.5	158.7	0	0	0	0	111.5	N636 S637 V638 A642 G644	N636-V640 WeakPolarHBondContact O-CB 3.25Å; N636-V640 WeakPolarHBondContact O-CG2 3.07Å; N636-V640 PolarHBondContact O-N 3.44Å; S637-V640 WeakPolarHBondContact O-CB 3.44Å; S637-V640 PolarHBondContact O-N 3.12Å; V638-V640 VanDerWaalsContact C-N 3.29Å; V638-V640 PolarHBondContact O-N 3.08Å; V640-A642 VanDerWaalsContact C-N 3.34Å; V640-G644 WeakPolarHBondContact O-CA 3.32Å; V640-G644 PolarHBondContact O-N 3.12Å
641	V	49.8	Very low	40.1	Very low	114 Å²	114	89.8 Å²	89.8	69%	0.691	53%	0.526	S	S	*	.	H	α-helix	trans	-66.4	-39.2	174.2	173	0	0	0	0	110.6	S637 V638	S637-V641 VanDerWaalsContact O-CG2 3.26Å; S637-V641 WeakPolarHBondContact O-CG2 3.43Å; S637-V641 PolarHBondContact O-N 3.26Å; V638-V641 PolarHBondContact O-N 3.13Å
642	A	46.6	Very low	40	Very low	36 Å²	36	95.7 Å²	95.7	30%	0.298	54%	0.535	S	S	.	.	H	α-helix	trans	-74.2	-25.9	179.9	0	0	0	0	0	114.7	V638 A639 V640 F679	V638-A642 WeakPolarHBondContact O-CB 3.43Å; V638-A642 PolarHBondContact O-N 2.87Å; A639-A642 PolarHBondContact O-N 3.45Å; V640-A642 VanDerWaalsContact C-N 3.34Å; A642-F679 HydrophobicContact CB-CE1 4.28Å; A642-F679 HydrophobicContact CB-CE2 3.63Å; A642-F679 HydrophobicContact CB-CZ 3.34Å
643	F	49.2	Very low	39.6	Very low	43 Å²	43	98.8 Å²	98.8	19%	0.189	54%	0.541	C	S	.	.	H	α-helix	trans	-117.9	10.8	-177.4	-67.5	-58.6	0	0	0	114.2	W608 A639 D645 P731	W608-F643 AromaticContact CH2-CD2 3.81Å; W608-F643 HydrophobicContact CH2-CD2 3.81Å; W608-F643 AromaticContact CH2-CE2 3.23Å; W608-F643 HydrophobicContact CH2-CE2 3.23Å; W608-F643 HydrophobicContact CH2-CZ 4.27Å; W608-F643 AromaticContact CZ2-CD2 3.78Å; W608-F643 HydrophobicContact CZ2-CD2 3.78Å; W608-F643 AromaticContact CZ2-CE2 3.49Å; W608-F643 HydrophobicContact CZ2-CE2 3.49Å; W608-F643 VanDerWaalsContact CZ2-CE2 3.49Å; W608-F643 HydrophobicContact CZ3-CE2 4.31Å; A639-F643 WeakPolarHBondContact O-CB 3.38Å; A639-F643 WeakPolarHBondContact O-CD2 3.34Å; A639-F643 PolarHBondContact O-N 3.35Å; F643-D645 PolarHBondContact O-N 3.02Å; F643-P731 VanDerWaalsContact CZ-CA 3.46Å; F643-P731 HydrophobicContact CZ-CB 4.27Å
644	G	42.7	Very low	38.8	Very low	55 Å²	55	101.8 Å²	101.8	57%	0.567	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	0.5	-165.9	0	0	0	0	0	117.9	V640	V640-G644 WeakPolarHBondContact O-CA 3.32Å; V640-G644 PolarHBondContact O-N 3.12Å
645	D	39.1	Very low	38.3	Very low	154 Å²	154	107.4 Å²	107.4	82%	0.824	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.8	19.4	-174.1	-120.8	-0.7	0	0	0	114.8	F643 N647	F643-D645 PolarHBondContact O-N 3.02Å; D645-N647 PolarHBondContact O-N 3.45Å
646	Q	42.8	Very low	37.5	Very low	105 Å²	105	110.6 Å²	110.6	49%	0.491	59%	0.59	S	S	.	*	S	Bend	trans	-81.7	11.9	-177.1	-64.3	-89.3	3.1	0	0	114.4
647	N	30	Very low	37.1	Very low	163 Å²	163	113.3 Å²	113.3	87%	0.872	61%	0.614	S	S	*	*	S	Bend	trans	-136.9	87.8	176	-92.3	-12.2	0	0	0	110.4	D645	D645-N647 PolarHBondContact O-N 3.45Å
648	G	29	Very low	36.6	Very low	66 Å²	66	117.8 Å²	117.8	68%	0.68	64%	0.639	S	S	*	*			trans	177.7	61.4	178.8	0	0	0	0	0	117
649	T	29.3	Very low	36	Very low	119 Å²	119	120.7 Å²	120.7	73%	0.73	66%	0.661	S	S	*	*			trans	-148.5	72.3	152.3	-25.8	0	0	0	0	110.7
650	R	29.3	Very low	35.3	Very low	254 Å²	254	131.2 Å²	131.2	96%	0.958	70%	0.699	S	S	*	*			trans	-101.6	103.3	146.4	-86.9	-173.1	176.3	179.6	-1.3	106.3	Y652	R650-Y652 PolarHBondContact O-N 3.39Å
651	H	26.2	Very low	34.7	Very low	162 Å²	162	135.7 Å²	135.7	75%	0.75	72%	0.721	S	S	*	*			trans	-56.2	116.6	168.9	-79.9	-77.9	0	0	0	109.6
652	Y	26.3	Very low	33.9	Very low	227 Å²	227	138.2 Å²	138.2	89%	0.89	73%	0.731	S	S	*	*			trans	-157.5	103.1	148.4	-109.7	-80.8	0	0	0	107.4	R650	R650-Y652 PolarHBondContact O-N 3.39Å
653	T	26.8	Very low	33.2	Very low	130 Å²	130	141.9 Å²	141.9	80%	0.798	76%	0.755	S	S	*	*			trans	-80.7	141.4	168.5	49.2	0	0	0	0	109.7
654	P	29.8	Very low	32.5	Very low	123 Å²	123	145.8 Å²	145.8	80%	0.799	79%	0.787	S	S	*	*			trans	-137.5	127.8	130.7	18.2	2.8	0	0	0	114.9
655	R	30.2	Very low	31.7	Very low	228 Å²	228	149.7 Å²	149.7	86%	0.86	80%	0.804	S	S	*	*			trans	17.5	130.2	144.6	-77.1	-179.7	-177.6	-178.3	0.6	122.2
656	N	31.4	Very low	31.3	Very low	142 Å²	142	147.8 Å²	147.8	76%	0.759	80%	0.803	S	S	*	*				68.7	110.2	128.8	-64.1	-0.2	0	0	0	121
657	S	34.3	Very low	31	Very low	113 Å²	113	148.6 Å²	148.6	79%	0.79	82%	0.817	S	S	*	*				168.4	104.9	111.5	42.2	0	0	0	0	109.6
658	V	32.9	Very low	31	Very low	140 Å²	140	150.2 Å²	150.2	85%	0.848	82%	0.817	S	S	*	*				72.3	108.2	99.9	179.1	0	0	0	0	115.8
659	S	34.1	Very low	31	Very low	107 Å²	107	149.5 Å²	149.5	75%	0.748	81%	0.81	S	S	*	*			trans	153.9	108.8	134.2	46.2	0	0	0	0	109.4
660	R	34.3	Very low	31.2	Very low	228 Å²	228	148.4 Å²	148.4	86%	0.86	81%	0.805	S	S	*	*				57.9	119.8	89	-79.8	-168.7	-176.8	166.9	-0.3	111.2
661	D	34.2	Very low	31.5	Very low	140 Å²	140	141 Å²	141	75%	0.749	79%	0.788	S	S	*	*			cis	-161.7	177.1	32	-78.7	-43.8	0	0	0	111.6
662	D	33.3	Very low	32.1	Very low	167 Å²	167	140.9 Å²	140.9	89%	0.893	79%	0.787	S	S	*	*			trans	104.8	100.5	160.5	-71.4	-16.3	0	0	0	121.1
663	S	32.1	Very low	32.8	Very low	114 Å²	114	135 Å²	135	80%	0.797	77%	0.772	S	S	*	*			trans	-92.9	130.6	172.3	48.2	0	0	0	0	112.4
664	S	33.8	Very low	33.4	Very low	124 Å²	124	134.1 Å²	134.1	87%	0.867	77%	0.766	S	S	*	*			trans	-163.6	112.6	142.5	61.4	0	0	0	0	111.5
665	C	26.5	Very low	34.2	Very low	137 Å²	137	131.1 Å²	131.1	93%	0.926	75%	0.745	S	S	*	*			trans	-69.4	147	172.1	-73.5	0	0	0	0	113.5
666	S	31.5	Very low	35.2	Very low	114 Å²	114	124 Å²	124	80%	0.797	72%	0.722	S	S	*	*			trans	-168.9	156.3	132.6	74.7	0	0	0	0	109.1
667	P	36.2	Very low	36.4	Very low	122 Å²	122	125.3 Å²	125.3	79%	0.792	72%	0.721	S	S	*	*				-106.9	145.9	-115.3	18.3	1.8	0	0	0	115.3	G669	P667-G669 PolarHBondContact O-N 3.16Å
668	F	29.4	Very low	37.9	Very low	197 Å²	197	123.4 Å²	123.4	86%	0.864	70%	0.704	S	S	*	*			trans	-64	118.1	172.9	-77.2	-94.8	0	0	0	112.5	V671	F668-V671 HydrophobicContact CD1-CG2 4.1Å
669	G	30.3	Very low	40.1	Very low	52 Å²	52	117.5 Å²	117.5	54%	0.536	67%	0.667	S	S	.	*			trans	-77.2	161.1	149.1	0	0	0	0	0	110.4	P667 V671	P667-G669 PolarHBondContact O-N 3.16Å; G669-V671 PolarHBondContact O-N 3.22Å
670	P	31.7	Very low	42.6	Very low	96 Å²	96	113.4 Å²	113.4	62%	0.623	64%	0.638	S	S	*	*			trans	-70.3	106.2	-168.2	30	-32.5	0	0	0	110.1	Q672 D673	P670-Q672 PolarHBondContact O-N 3.09Å; P670-D673 PolarHBondContact O-N 3.46Å
671	V	37	Very low	45.2	Very low	99 Å²	99	103.8 Å²	103.8	60%	0.6	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	-10.9	177	176.3	0	0	0	0	112.7	F668 G669	F668-V671 HydrophobicContact CD1-CG2 4.1Å; G669-V671 PolarHBondContact O-N 3.22Å
672	Q	38	Very low	47.9	Very low	158 Å²	158	100.9 Å²	100.9	74%	0.738	59%	0.593	S	S	*	*	H	α-helix	trans	-68.9	-37.1	177.1	-83.1	172.4	-9.3	0	0	114.1	P670 V674 T675 Q676	P670-Q672 PolarHBondContact O-N 3.09Å; Q672-V674 PolarHBondContact O-N 3.12Å; Q672-T675 PolarHBondContact O-N 3.41Å; Q672-T675 PolarHBondContact O-OG1 3.42Å; Q672-Q676 PolarHBondContact O-N 3.18Å
673	D	41.9	Very low	50.5	Low	104 Å²	104	97.5 Å²	97.5	56%	0.556	57%	0.572	S	S	*	*	H	α-helix	trans	-69.4	-32.3	-172.7	-108.6	-22.4	0	0	0	113.5	P670 T675	P670-D673 PolarHBondContact O-N 3.46Å; D673-T675 VanDerWaalsContact C-N 3.34Å
674	V	38.1	Very low	53	Low	111 Å²	111	93.3 Å²	93.3	67%	0.673	54%	0.542	S	S	*	.	H	α-helix	trans	-75.3	-27.9	-178.9	-174.7	0	0	0	0	111.2	Q672	Q672-V674 PolarHBondContact O-N 3.12Å
675	T	46.8	Very low	55.2	Low	60 Å²	60	88.1 Å²	88.1	37%	0.368	50%	0.504	S	S	.	.	H	α-helix	trans	-79.1	-34.1	179.7	62.6	0	0	0	0	112.7	Q672 D673 K677 V678 F679	Q672-T675 PolarHBondContact O-N 3.41Å; Q672-T675 PolarHBondContact O-OG1 3.42Å; D673-T675 VanDerWaalsContact C-N 3.34Å; T675-K677 PolarHBondContact O-N 2.8Å; T675-V678 PolarHBondContact O-N 3.01Å; T675-F679 WeakPolarHBondContact O-CD2 3.43Å
676	Q	51.7	Low	57.3	Low	80 Å²	80	85 Å²	85	37%	0.374	49%	0.488	S	S	.	.	H	α-helix	trans	-62.9	-42.4	179.4	-93.3	-179.9	-50.1	0	0	113.3	Q672 V678 F679 C680	Q672-Q676 PolarHBondContact O-N 3.18Å; Q676-V678 PolarHBondContact O-N 3.37Å; Q676-V678 VanDerWaalsContact O-N 3.13Å; Q676-F679 PolarHBondContact O-N 2.99Å; Q676-F679 VanDerWaalsContact O-N 3.12Å; Q676-C680 PolarHBondContact O-N 2.78Å
677	K	55.4	Low	58.9	Low	168 Å²	168	84.2 Å²	84.2	73%	0.73	48%	0.479	S	S	*	.	H	α-helix	trans	-61.4	-22.2	179.5	-76.4	-176.4	177	177.5	0	113.7	T675	T675-K677 PolarHBondContact O-N 2.8Å
678	V	66	Low	60.6	Low	74 Å²	74	84.4 Å²	84.4	45%	0.448	47%	0.473	S	S	.	.	H	α-helix	trans	-79.2	-33.3	179.5	-175.9	0	0	0	0	111.5	V638 T675 Q676	V638-V678 HydrophobicContact CG1-CG1 3.62Å; T675-V678 PolarHBondContact O-N 3.01Å; Q676-V678 PolarHBondContact O-N 3.37Å; Q676-V678 VanDerWaalsContact O-N 3.13Å
679	F	79.5	Confident	63	Low	15 Å²	15	77 Å²	77	7%	0.066	44%	0.444	C	S	.	.	H	α-helix	trans	-97.2	-31.8	-174.7	-67.4	-74.1	0	0	0	114	I587 L588 W608 V638 A642 T675 Q676 P731	I587-F679 CarbonylContact C-O 3.49Å; I587-F679 VanDerWaalsContact CA-O 3.22Å; I587-F679 WeakPolarHBondContact CA-O 3.5Å; L588-F679 HydrophobicContact CB-CD1 4.05Å; L588-F679 HydrophobicContact CD2-CD1 3.92Å; L588-F679 HydrophobicContact CD2-CE1 3.95Å; L588-F679 HydrophobicContact CG-CD1 4.16Å; L588-F679 HydrophobicContact CG-CE1 4.49Å; L588-F679 PolarHBondContact N-O 3.12Å; W608-F679 HydrophobicContact CH2-CE1 4.46Å; W608-F679 HydrophobicContact CZ3-CE1 4.35Å; V638-F679 HydrophobicContact CG1-CE1 3.96Å; V638-F679 HydrophobicContact CG1-CE2 4.11Å; V638-F679 HydrophobicContact CG1-CZ 3.44Å; V638-F679 VanDerWaalsContact CG1-CZ 3.44Å; A642-F679 HydrophobicContact CB-CE1 4.28Å; A642-F679 HydrophobicContact CB-CE2 3.63Å; A642-F679 HydrophobicContact CB-CZ 3.34Å; T675-F679 WeakPolarHBondContact O-CD2 3.43Å; Q676-F679 PolarHBondContact O-N 2.99Å; Q676-F679 VanDerWaalsContact O-N 3.12Å; F679-P731 HydrophobicContact CB-CG 3.73Å; F679-P731 HydrophobicContact CD1-CB 3.76Å; F679-P731 HydrophobicContact CD1-CG 3.65Å; F679-P731 HydrophobicContact CD2-CB 4.27Å; F679-P731 HydrophobicContact CD2-CG 4.35Å; F679-P731 HydrophobicContact CE1-CB 3.99Å; F679-P731 HydrophobicContact CE1-CG 4.39Å; F679-P731 HydrophobicContact CE2-CB 4.5Å; F679-P731 HydrophobicContact CG-CB 3.92Å; F679-P731 HydrophobicContact CG-CG 3.65Å; F679-P731 HydrophobicContact CZ-CB 4.37Å
680	C	87	Confident	65.8	Low	22 Å²	22	77.7 Å²	77.7	15%	0.149	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	128.1	-172.8	-71.6	0	0	0	0	109.9	R586 I587 Q676 C735	R586-C680 WeakPolarHBondContact O-CA 3.16Å; I587-C680 HydrophobicContact CG1-CB 4.43Å; Q676-C680 PolarHBondContact O-N 2.78Å; C680-C735 WeakPolarHBondContact CB-SG 2.94Å; C680-C735 VanDerWaalsContact SG-CA 3.53Å; C680-C735 WeakPolarHBondContact SG-CB 3.32Å; C680-C735 CovalentContact SG-SG 2.07Å; C680-C735 PolarHBondContact SG-SG 3.29Å
681	S	89.1	Confident	68.6	Low	26 Å²	26	73.3 Å²	73.3	18%	0.182	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	139.4	-175.8	169.5	0	0	0	0	111.8	G585 R586 E683	G585-S681 CarbonylContact C-O 3.6Å; G585-S681 VanDerWaalsContact CA-O 3.29Å; G585-S681 WeakPolarHBondContact CA-O 3.36Å; R586-S681 PolarHBondContact N-O 3.35Å; R586-S681 PolarHBondContact O-N 3.27Å; S681-E683 PolarHBondContact OG-N 3.48Å; S681-E683 VanDerWaalsContact OG-N 3.09Å; S681-E683 PolarHBondContact OG-O 2.68Å
682	T	90.3	Very high	71.3	Confident	78 Å²	78	71.4 Å²	71.4	48%	0.479	39%	0.393	S	S	.	.	S	Bend	trans	-85.2	-10.4	170.7	49.4	0	0	0	0	113	F583 W742	F583-T682 VanDerWaalsContact CE1-O 3.29Å; F583-T682 WeakPolarHBondContact CE1-O 3.26Å; T682-W742 HydrophobicContact CG2-CH2 4.36Å; T682-W742 HydrophobicContact CG2-CZ2 3.72Å
683	E	87.8	Confident	74	Confident	97 Å²	97	64.1 Å²	64.1	45%	0.453	36%	0.36	S	S	.	.	S	Bend	trans	-93.1	143.7	174	-65.1	-52	140.4	0	0	112.6	K559 R586 S681	K559-E683 IonicContact NZ-OE1 3.7Å; K559-E683 PolarHBondContact NZ-OE1 3.11Å; K559-E683 IonicContact NZ-OE2 3.67Å; K559-E683 PolarHBondContact NZ-OE2 3.42Å; R586-E683 WeakPolarHBondContact CD-O 3.47Å; R586-E683 PolarHBondContact NE-O 3.28Å; S681-E683 PolarHBondContact OG-N 3.48Å; S681-E683 VanDerWaalsContact OG-N 3.09Å; S681-E683 PolarHBondContact OG-O 2.68Å
684	P	84.1	Confident	76.5	Confident	25 Å²	25	64.7 Å²	64.7	16%	0.162	35%	0.354	C	S	.	.			trans	-66.5	176.9	177.8	29.9	-34.2	0	0	0	111.6	L563 F583	L563-P684 HydrophobicContact CD1-CB 4.17Å; L563-P684 HydrophobicContact CD2-CB 3.65Å; L563-P684 HydrophobicContact CG-CB 3.73Å; F583-P684 HydrophobicContact CE1-CB 4.27Å
685	F	81.9	Confident	79.1	Confident	15 Å²	15	60.3 Å²	60.3	7%	0.066	33%	0.328	C	S	.	.			trans	-65.2	146.3	177.3	-60.5	-68.2	0	0	0	111.9	L563 V566 R586 H610 L612 V621 F691	L563-F685 HydrophobicContact CD2-CD2 3.91Å; V566-F685 HydrophobicContact CG2-CD2 4.37Å; R586-F685 VanDerWaalsContact NH1-CD1 3.27Å; H610-F685 HydrophobicContact CB-CE1 4.3Å; H610-F685 HydrophobicContact CB-CZ 3.66Å; H610-F685 AromaticContact CE1-CE1 3.99Å; H610-F685 AromaticContact CG-CE1 3.83Å; H610-F685 AromaticContact CG-CZ 3.68Å; H610-F685 AromaticContact ND1-CE1 3.73Å; L612-F685 HydrophobicContact CD1-CE2 4.08Å; L612-F685 HydrophobicContact CD2-CD2 4.39Å; L612-F685 HydrophobicContact CD2-CE2 3.55Å; L612-F685 HydrophobicContact CD2-CZ 3.82Å; L612-F685 HydrophobicContact CG-CE2 4.26Å; V621-F685 HydrophobicContact CG2-CE2 4.18Å; V621-F685 HydrophobicContact CG2-CZ 4.18Å; F685-F691 HydrophobicContact CB-CE2 3.74Å; F685-F691 HydrophobicContact CB-CZ 4.28Å; F685-F691 HydrophobicContact CD1-CE1 4.04Å; F685-F691 AromaticContact CD1-CE2 3.59Å; F685-F691 HydrophobicContact CD1-CE2 3.59Å; F685-F691 AromaticContact CD1-CZ 3.29Å; F685-F691 HydrophobicContact CD1-CZ 3.29Å; F685-F691 AromaticContact CD2-CD2 3.62Å; F685-F691 HydrophobicContact CD2-CD2 3.62Å; F685-F691 HydrophobicContact CD2-CE1 4.47Å; F685-F691 AromaticContact CD2-CE2 3.39Å; F685-F691 HydrophobicContact CD2-CE2 3.39Å; F685-F691 HydrophobicContact CD2-CG 4.28Å; F685-F691 AromaticContact CD2-CZ 3.88Å; F685-F691 HydrophobicContact CD2-CZ 3.88Å; F685-F691 HydrophobicContact CE1-CD1 4.35Å; F685-F691 AromaticContact CE1-CE1 3.58Å; F685-F691 HydrophobicContact CE1-CE1 3.58Å; F685-F691 AromaticContact CE1-CE2 3.94Å; F685-F691 HydrophobicContact CE1-CE2 3.94Å; F685-F691 AromaticContact CE1-CZ 3.34Å; F685-F691 HydrophobicContact CE1-CZ 3.34Å; F685-F691 HydrophobicContact CE2-CD1 4.04Å; F685-F691 AromaticContact CE2-CD2 3.74Å; F685-F691 HydrophobicContact CE2-CD2 3.74Å; F685-F691 HydrophobicContact CE2-CE1 4.03Å; F685-F691 AromaticContact CE2-CE2 3.73Å; F685-F691 HydrophobicContact CE2-CE2 3.73Å; F685-F691 AromaticContact CE2-CG 3.91Å; F685-F691 HydrophobicContact CE2-CG 3.91Å; F685-F691 AromaticContact CE2-CZ 3.89Å; F685-F691 HydrophobicContact CE2-CZ 3.89Å; F685-F691 HydrophobicContact CG-CD2 4.04Å; F685-F691 HydrophobicContact CG-CE1 4.46Å; F685-F691 AromaticContact CG-CE2 3.3Å; F685-F691 HydrophobicContact CG-CE2 3.3Å; F685-F691 AromaticContact CG-CZ 3.57Å; F685-F691 HydrophobicContact CG-CZ 3.57Å; F685-F691 AromaticContact CZ-CD1 3.89Å; F685-F691 HydrophobicContact CZ-CD1 3.89Å; F685-F691 HydrophobicContact CZ-CD2 4.29Å; F685-F691 AromaticContact CZ-CE1 3.58Å; F685-F691 HydrophobicContact CZ-CE1 3.58Å; F685-F691 HydrophobicContact CZ-CE2 4Å; F685-F691 HydrophobicContact CZ-CG 4.25Å; F685-F691 AromaticContact CZ-CZ 3.65Å; F685-F691 HydrophobicContact CZ-CZ 3.65Å
686	A	68.6	Low	81.4	Confident	72 Å²	72	59.8 Å²	59.8	60%	0.595	33%	0.325	S	S	*	.			trans	-64.8	147.1	162.5	0	0	0	0	0	110	D688	A686-D688 PolarHBondContact O-N 2.97Å
687	T	65	Low	83.4	Confident	97 Å²	97	58.1 Å²	58.1	60%	0.595	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-9.2	-169.1	44.9	0	0	0	0	115.9	T689	T687-T689 VanDerWaalsContact C-N 3.34Å; T687-T689 PolarHBondContact O-N 3.47Å
688	D	72.2	Confident	85.3	Confident	127 Å²	127	53.9 Å²	53.9	68%	0.679	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-1.8	-165.7	-56.9	-11.3	0	0	0	113.9	A686	A686-D688 PolarHBondContact O-N 2.97Å
689	T	80.3	Confident	86.7	Confident	41 Å²	41	50.3 Å²	50.3	25%	0.252	28%	0.284	S	S	.	.			trans	-129.3	132.1	-176.6	49.5	0	0	0	0	111.4	V566 T687 F691	V566-T689 WeakPolarHBondContact CB-O 3.4Å; T687-T689 VanDerWaalsContact C-N 3.34Å; T687-T689 PolarHBondContact O-N 3.47Å; T689-F691 WeakPolarHBondContact O-CD2 3.19Å; T689-F691 VanDerWaalsContact O-CE2 3.31Å; T689-F691 WeakPolarHBondContact O-CE2 3.38Å; T689-F691 WeakPolarHBondContact OG1-CE2 3.45Å; T689-F691 VanDerWaalsContact OG1-CZ 3.27Å; T689-F691 WeakPolarHBondContact OG1-CZ 3.48Å
690	T	88.6	Confident	87.3	Confident	66 Å²	66	53.3 Å²	53.3	41%	0.405	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	145.3	174.5	56.8	0	0	0	0	110.7	V566 L624	V566-T690 CarbonylContact O-C 3.59Å; V566-T690 WeakPolarHBondContact O-CA 3.24Å; L624-T690 PolarHBondContact N-O 3.35Å
691	F	91.3	Very high	87.4	Confident	4 Å²	4	56 Å²	56	2%	0.018	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	129.2	-176.1	-61.4	-94	0	0	0	110.6	V566 L567 I568 H610 V621 K622 F685 T689	V566-F691 HydrophobicContact CB-CD2 4.41Å; V566-F691 HydrophobicContact CG2-CD2 4.37Å; V566-F691 PolarHBondContact O-N 2.92Å; L567-F691 WeakPolarHBondContact CA-O 3.48Å; L567-F691 HydrophobicContact CD2-CB 3.99Å; I568-F691 PolarHBondContact N-O 3.45Å; H610-F691 AromaticContact CD2-CE1 3.62Å; H610-F691 AromaticContact NE2-CE1 3.88Å; V621-F691 HydrophobicContact CB-CB 3.96Å; V621-F691 HydrophobicContact CG2-CB 3.84Å; V621-F691 HydrophobicContact CG2-CD1 3.87Å; V621-F691 HydrophobicContact CG2-CG 4.1Å; K622-F691 CarbonylContact O-C 3.55Å; K622-F691 WeakPolarHBondContact O-CA 3.32Å; F685-F691 HydrophobicContact CB-CE2 3.74Å; F685-F691 HydrophobicContact CB-CZ 4.28Å; F685-F691 HydrophobicContact CD1-CE1 4.04Å; F685-F691 AromaticContact CD1-CE2 3.59Å; F685-F691 HydrophobicContact CD1-CE2 3.59Å; F685-F691 AromaticContact CD1-CZ 3.29Å; F685-F691 HydrophobicContact CD1-CZ 3.29Å; F685-F691 AromaticContact CD2-CD2 3.62Å; F685-F691 HydrophobicContact CD2-CD2 3.62Å; F685-F691 HydrophobicContact CD2-CE1 4.47Å; F685-F691 AromaticContact CD2-CE2 3.39Å; F685-F691 HydrophobicContact CD2-CE2 3.39Å; F685-F691 HydrophobicContact CD2-CG 4.28Å; F685-F691 AromaticContact CD2-CZ 3.88Å; F685-F691 HydrophobicContact CD2-CZ 3.88Å; F685-F691 HydrophobicContact CE1-CD1 4.35Å; F685-F691 AromaticContact CE1-CE1 3.58Å; F685-F691 HydrophobicContact CE1-CE1 3.58Å; F685-F691 AromaticContact CE1-CE2 3.94Å; F685-F691 HydrophobicContact CE1-CE2 3.94Å; F685-F691 AromaticContact CE1-CZ 3.34Å; F685-F691 HydrophobicContact CE1-CZ 3.34Å; F685-F691 HydrophobicContact CE2-CD1 4.04Å; F685-F691 AromaticContact CE2-CD2 3.74Å; F685-F691 HydrophobicContact CE2-CD2 3.74Å; F685-F691 HydrophobicContact CE2-CE1 4.03Å; F685-F691 AromaticContact CE2-CE2 3.73Å; F685-F691 HydrophobicContact CE2-CE2 3.73Å; F685-F691 AromaticContact CE2-CG 3.91Å; F685-F691 HydrophobicContact CE2-CG 3.91Å; F685-F691 AromaticContact CE2-CZ 3.89Å; F685-F691 HydrophobicContact CE2-CZ 3.89Å; F685-F691 HydrophobicContact CG-CD2 4.04Å; F685-F691 HydrophobicContact CG-CE1 4.46Å; F685-F691 AromaticContact CG-CE2 3.3Å; F685-F691 HydrophobicContact CG-CE2 3.3Å; F685-F691 AromaticContact CG-CZ 3.57Å; F685-F691 HydrophobicContact CG-CZ 3.57Å; F685-F691 AromaticContact CZ-CD1 3.89Å; F685-F691 HydrophobicContact CZ-CD1 3.89Å; F685-F691 HydrophobicContact CZ-CD2 4.29Å; F685-F691 AromaticContact CZ-CE1 3.58Å; F685-F691 HydrophobicContact CZ-CE1 3.58Å; F685-F691 HydrophobicContact CZ-CE2 4Å; F685-F691 HydrophobicContact CZ-CG 4.25Å; F685-F691 AromaticContact CZ-CZ 3.65Å; F685-F691 HydrophobicContact CZ-CZ 3.65Å; T689-F691 WeakPolarHBondContact O-CD2 3.19Å; T689-F691 VanDerWaalsContact O-CE2 3.31Å; T689-F691 WeakPolarHBondContact O-CE2 3.38Å; T689-F691 WeakPolarHBondContact OG1-CE2 3.45Å; T689-F691 VanDerWaalsContact OG1-CZ 3.27Å; T689-F691 WeakPolarHBondContact OG1-CZ 3.48Å
692	Q	92.9	Very high	87.7	Confident	59 Å²	59	55.2 Å²	55.2	28%	0.276	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	123.8	175	-168.9	-179.9	24	0	0	110.5	I568 V621 K622 L624 R694	I568-Q692 CarbonylContact O-C 3.56Å; I568-Q692 WeakPolarHBondContact O-CA 3.42Å; V621-Q692 CarbonylContact C-O 3.48Å; V621-Q692 VanDerWaalsContact CA-O 3.29Å; V621-Q692 WeakPolarHBondContact CA-O 3.3Å; K622-Q692 PolarHBondContact N-O 3.39Å; K622-Q692 PolarHBondContact O-N 3.35Å; L624-Q692 HydrophobicContact CD1-CB 4.05Å; L624-Q692 HydrophobicContact CD2-CB 4.09Å; L624-Q692 HydrophobicContact CG-CB 4.07Å; Q692-R694 PolarHBondContact O-N 3.03Å
693	V	94.6	Very high	87.9	Confident	5 Å²	5	58.8 Å²	58.8	3%	0.03	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	123.1	172.2	-176.8	0	0	0	0	109.7	L567 I568 L571 K572 V619 V621 V696	L567-V693 HydrophobicContact CB-CG2 4.24Å; L567-V693 HydrophobicContact CD2-CG2 4.34Å; I568-V693 PolarHBondContact O-N 3.13Å; L571-V693 HydrophobicContact CB-CB 4.28Å; L571-V693 HydrophobicContact CB-CG1 3.81Å; K572-V693 HydrophobicContact CB-CG2 4.15Å; V619-V693 HydrophobicContact CG1-CG1 3.9Å; V619-V693 HydrophobicContact CG1-CG2 4.33Å; V621-V693 HydrophobicContact CG1-CG2 4.34Å; V693-V696 HydrophobicContact CG1-CG2 3.84Å
694	R	94.2	Very high	88.3	Confident	116 Å²	116	54.5 Å²	54.5	44%	0.438	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-35.9	-177.1	-68	-61.8	-61.5	174.8	0.7	113.2	L571 V620 K622 Q692	L571-R694 VanDerWaalsContact CD1-C 3.48Å; L571-R694 WeakPolarHBondContact CD1-O 3.41Å; V620-R694 WeakPolarHBondContact O-CB 3.34Å; V620-R694 PolarHBondContact O-N 3.39Å; K622-R694 HydrophobicContact CB-CG 3.89Å; Q692-R694 PolarHBondContact O-N 3.03Å
695	S	94.2	Very high	88.8	Confident	19 Å²	19	57.5 Å²	57.5	13%	0.133	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	157.6	173.2	49.8	0	0	0	0	110.3	V620 Y697	V620-S695 WeakPolarHBondContact CB-OG 3.23Å; V620-S695 WeakPolarHBondContact CG2-OG 3.21Å; V620-S695 PolarHBondContact N-O 3.35Å; V620-S695 PolarHBondContact O-N 3.19Å; S695-Y697 WeakPolarHBondContact CB-OH 3.07Å; S695-Y697 VanDerWaalsContact OG-CE2 3.23Å; S695-Y697 WeakPolarHBondContact OG-CE2 3.34Å; S695-Y697 PolarHBondContact OG-OH 2.96Å
696	V	94.6	Very high	89.4	Confident	50 Å²	50	60.5 Å²	60.5	30%	0.303	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	129.4	175.7	-178.2	0	0	0	0	107	I617 L618 V619 V693	I617-V696 HydrophobicContact CB-CG1 4.19Å; I617-V696 HydrophobicContact CD1-CG1 3.97Å; I617-V696 HydrophobicContact CG2-CG1 4.43Å; L618-V696 CarbonylContact O-C 3.55Å; L618-V696 WeakPolarHBondContact O-CA 3.13Å; V619-V696 HydrophobicContact CG1-CG2 4.26Å; V619-V696 HydrophobicContact CG2-CG1 4.23Å; V619-V696 HydrophobicContact CG2-CG2 4.25Å; V693-V696 HydrophobicContact CG1-CG2 3.84Å
697	Y	94.7	Very high	90.6	Very high	45 Å²	45	58.6 Å²	58.6	18%	0.176	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.2	-180	-54.2	-70.1	0	0	0	109.5	I617 L618 V620 S695 V725 I726	I617-Y697 CarbonylContact C-O 3.54Å; I617-Y697 WeakPolarHBondContact CA-O 3.39Å; L618-Y697 HydrophobicContact CD2-CD2 4.22Å; L618-Y697 PolarHBondContact N-O 3.45Å; L618-Y697 PolarHBondContact O-N 3.01Å; V620-Y697 HydrophobicContact CG2-CD2 4.24Å; V620-Y697 HydrophobicContact CG2-CE2 3.81Å; S695-Y697 WeakPolarHBondContact CB-OH 3.07Å; S695-Y697 VanDerWaalsContact OG-CE2 3.23Å; S695-Y697 WeakPolarHBondContact OG-CE2 3.34Å; S695-Y697 PolarHBondContact OG-OH 2.96Å; Y697-V725 HydrophobicContact CD1-CG1 3.15Å; Y697-V725 HydrophobicContact CD2-CG1 4.45Å; Y697-V725 HydrophobicContact CE1-CG1 3.09Å; Y697-V725 HydrophobicContact CE2-CG1 4.4Å; Y697-V725 HydrophobicContact CG-CG1 3.86Å; Y697-I726 HydrophobicContact CD2-CG2 4.48Å; Y697-I726 HydrophobicContact CE2-CB 4.16Å; Y697-I726 HydrophobicContact CE2-CD1 4.08Å; Y697-I726 HydrophobicContact CE2-CG2 4.09Å
698	P	94.5	Very high	91.9	Very high	78 Å²	78	60.2 Å²	60.2	51%	0.506	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	142.8	169.3	29.5	-32.9	0	0	0	109.7	L700 L702	P698-L700 PolarHBondContact O-N 3.12Å; P698-L702 WeakPolarHBondContact O-CD1 3.46Å; P698-L702 VanDerWaalsContact O-CG 3.25Å; P698-L702 WeakPolarHBondContact O-CG 3.35Å
699	F	95	Very high	92.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	-73.3	-16	175.6	-83	-66.5	0	0	0	113.6	I613 F614 D616 I617 L618 D701 L702 A743 S746 I747 M750	I613-F699 HydrophobicContact CG2-CE2 4.03Å; I613-F699 HydrophobicContact CG2-CZ 3.86Å; F614-F699 WeakPolarHBondContact O-CE2 3.44Å; D616-F699 PolarHBondContact O-N 2.97Å; I617-F699 VanDerWaalsContact O-CE2 3.28Å; I617-F699 WeakPolarHBondContact O-CE2 3.45Å; L618-F699 HydrophobicContact CB-CE1 4.37Å; L618-F699 HydrophobicContact CB-CE2 4.07Å; L618-F699 HydrophobicContact CB-CZ 3.8Å; F699-D701 PolarHBondContact O-N 3.4Å; F699-L702 HydrophobicContact CD1-CD1 4.1Å; F699-L702 PolarHBondContact O-N 3.2Å; F699-A743 HydrophobicContact CE1-CB 4.13Å; F699-S746 VanDerWaalsContact CD2-CB 3.43Å; F699-I747 HydrophobicContact CB-CG1 4.25Å; F699-I747 HydrophobicContact CD1-CD1 4.34Å; F699-I747 HydrophobicContact CD1-CG1 3.71Å; F699-I747 HydrophobicContact CG-CG1 4.39Å; F699-M750 HydrophobicContact CB-CG 4.06Å
700	L	91.6	Very high	93	Very high	77 Å²	77	61.4 Å²	61.4	40%	0.403	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	130.7	173.5	-165.3	69.9	0	0	0	110.8	P698 L702 M750 Q754	P698-L700 PolarHBondContact O-N 3.12Å; L700-L702 PolarHBondContact O-N 3.25Å; L700-M750 HydrophobicContact CD1-CB 4.46Å; L700-Q754 HydrophobicContact CD1-CB 4.01Å; L700-Q754 HydrophobicContact CD1-CG 4.24Å
701	D	90.6	Very high	92.8	Very high	80 Å²	80	62.9 Å²	62.9	43%	0.428	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	14.1	-176.5	-168.7	45	0	0	0	115	F699 N720 S721	F699-D701 PolarHBondContact O-N 3.4Å; D701-N720 VanDerWaalsContact O-CA 3.29Å; D701-N720 WeakPolarHBondContact O-CA 3.42Å; D701-S721 VanDerWaalsContact OD2-CB 3.28Å; D701-S721 WeakPolarHBondContact OD2-CB 3.29Å; D701-S721 PolarHBondContact OD2-N 3.24Å; D701-S721 VanDerWaalsContact OD2-N 3.13Å; D701-S721 PolarHBondContact OD2-OG 2.96Å
702	L	94.2	Very high	92.7	Very high	8 Å²	8	63.1 Å²	63.1	4%	0.042	31%	0.311	C	S	.	.			trans	-88.1	143.4	172.5	-66.5	-171.8	0	0	0	112.2	P698 F699 L700 L718 C719 N720 V725 I747	P698-L702 WeakPolarHBondContact O-CD1 3.46Å; P698-L702 VanDerWaalsContact O-CG 3.25Å; P698-L702 WeakPolarHBondContact O-CG 3.35Å; F699-L702 HydrophobicContact CD1-CD1 4.1Å; F699-L702 PolarHBondContact O-N 3.2Å; L700-L702 PolarHBondContact O-N 3.25Å; L702-L718 HydrophobicContact CD1-CD1 4.33Å; L702-C719 CarbonylContact C-O 3.56Å; L702-C719 WeakPolarHBondContact CA-O 3.45Å; L702-N720 HydrophobicContact CD2-CB 4.08Å; L702-V725 HydrophobicContact CD2-CG2 4.13Å; L702-I747 HydrophobicContact CB-CD1 4.21Å; L702-I747 HydrophobicContact CB-CG1 4.34Å; L702-I747 WeakPolarHBondContact O-CD1 3.46Å
703	R	94.4	Very high	92.6	Very high	153 Å²	153	66.2 Å²	66.2	58%	0.577	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	143.6	170.3	-66.8	-176.5	-72.3	-156.6	-2.4	109.4	L718 C719	R703-L718 WeakPolarHBondContact O-CA 3.48Å; R703-C719 PolarHBondContact N-O 3.09Å; R703-C719 PolarHBondContact O-N 3.33Å
704	V	95.8	Very high	92.6	Very high	8 Å²	8	67.8 Å²	67.8	5%	0.048	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	124.2	177.6	-174	0	0	0	0	108.8	V716 L718 I740 A743 Y744 I747	V704-V716 HydrophobicContact CG1-CG1 3.71Å; V704-L718 HydrophobicContact CB-CD2 4.37Å; V704-L718 HydrophobicContact CG1-CD2 4.44Å; V704-L718 HydrophobicContact CG2-CD2 3.77Å; V704-I740 HydrophobicContact CG1-CG1 4.17Å; V704-A743 HydrophobicContact CG2-CB 3.93Å; V704-Y744 HydrophobicContact CB-CE1 4.49Å; V704-Y744 HydrophobicContact CB-CE2 4.19Å; V704-I747 HydrophobicContact CG2-CD1 3.84Å
705	L	95.1	Very high	92.6	Very high	88 Å²	88	62.2 Å²	62.2	46%	0.461	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.5	170.4	-61.9	-179.5	0	0	0	109.1	V716 Q717 C719	L705-V716 CarbonylContact O-C 3.54Å; L705-V716 WeakPolarHBondContact O-CA 3.34Å; L705-Q717 HydrophobicContact CB-CB 4.36Å; L705-Q717 PolarHBondContact N-O 2.82Å; L705-Q717 PolarHBondContact O-N 2.68Å; L705-C719 HydrophobicContact CD1-CB 4.48Å; L705-C719 VanDerWaalsContact CD1-SG 3.53Å
706	V	95.2	Very high	92.7	Very high	77 Å²	77	61.3 Å²	61.3	47%	0.467	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	137.3	175	-177	0	0	0	0	108.2	I740	V706-I740 HydrophobicContact CG2-CD1 3.5Å; V706-I740 VanDerWaalsContact CG2-CD1 3.5Å; V706-I740 HydrophobicContact CG2-CG1 4.38Å
707	F	93.8	Very high	92.7	Very high	33 Å²	33	60.4 Å²	60.4	15%	0.145	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	156.8	174.7	68.8	-90.4	0	0	0	110.9	I592 I595 Y712 G715 Q717	I592-F707 HydrophobicContact CD1-CE2 4.42Å; I592-F707 HydrophobicContact CD1-CZ 3.85Å; I595-F707 HydrophobicContact CB-CE2 4.34Å; I595-F707 HydrophobicContact CD1-CD1 4.26Å; I595-F707 HydrophobicContact CD1-CE1 4.15Å; I595-F707 HydrophobicContact CD1-CZ 4.31Å; I595-F707 HydrophobicContact CG1-CE1 4.21Å; I595-F707 HydrophobicContact CG1-CE2 4.09Å; I595-F707 HydrophobicContact CG1-CZ 3.89Å; I595-F707 HydrophobicContact CG2-CD2 3.69Å; I595-F707 HydrophobicContact CG2-CE2 3.64Å; I595-F707 HydrophobicContact CG2-CG 4.41Å; I595-F707 HydrophobicContact CG2-CZ 4.32Å; F707-Y712 HydrophobicContact CE2-CD2 4.48Å; F707-G715 VanDerWaalsContact CZ-CA 3.46Å; F707-G715 PolarHBondContact N-O 3.1Å; F707-G715 CarbonylContact O-C 3.4Å; F707-G715 WeakPolarHBondContact O-CA 3.3Å; F707-G715 PolarHBondContact O-N 3.49Å; F707-G715 VanDerWaalsContact O-O 3.06Å; F707-Q717 HydrophobicContact CD1-CB 4.25Å; F707-Q717 HydrophobicContact CE1-CB 4.1Å
708	E	93.1	Very high	92.8	Very high	130 Å²	130	58.2 Å²	58.2	61%	0.607	28%	0.283	S	S	*	.			trans	-131.4	133.3	171.1	-179.1	161.4	-176.3	0	0	107.4	R713	E708-R713 WeakPolarHBondContact OE1-CG 3.46Å
709	S	87.4	Confident	92.8	Very high	28 Å²	28	55 Å²	55	20%	0.196	26%	0.262	C	S	.	.			trans	-136	163.3	175.7	82.2	0	0	0	0	109.9	I595 Y711 Y712	I595-S709 PolarHBondContact O-OG 3.42Å; S709-Y711 PolarHBondContact O-N 3.21Å; S709-Y711 PolarHBondContact OG-N 3.28Å; S709-Y712 PolarHBondContact N-O 3.09Å; S709-Y712 CarbonylContact O-C 3.53Å; S709-Y712 PolarHBondContact O-N 2.9Å; S709-Y712 PolarHBondContact OG-N 2.89Å; S709-Y712 VanDerWaalsContact OG-N 3.13Å
710	N	86.5	Confident	92.7	Very high	165 Å²	165	57 Å²	57	88%	0.882	27%	0.273	S	S	*	.	S	Bend	trans	-55.5	-16	173.9	-63	-18.3	0	0	0	113.4
711	Y	85.6	Confident	92.7	Very high	97 Å²	97	57 Å²	57	38%	0.38	28%	0.279	S	S	.	.	S	Bend	trans	-102.8	-30.2	179.8	-55.3	-70.5	0	0	0	113	A596 P597 L600 S709	A596-Y711 HydrophobicContact CB-CE2 4.37Å; P597-Y711 HydrophobicContact CG-CD1 4.47Å; P597-Y711 HydrophobicContact CG-CD2 4.47Å; P597-Y711 HydrophobicContact CG-CG 4.24Å; L600-Y711 HydrophobicContact CD1-CD1 3.98Å; L600-Y711 HydrophobicContact CD2-CD1 3.88Å; L600-Y711 HydrophobicContact CD2-CG 4.36Å; L600-Y711 HydrophobicContact CG-CD1 3.69Å; L600-Y711 HydrophobicContact CG-CE1 4.36Å; S709-Y711 PolarHBondContact O-N 3.21Å; S709-Y711 PolarHBondContact OG-N 3.28Å
712	Y	89	Confident	92.7	Very high	10 Å²	10	60.3 Å²	60.3	4%	0.039	30%	0.297	C	S	.	.			trans	-139.3	101.1	-172.5	-53.8	-67	0	0	0	110	I592 K594 I595 P597 F707 S709 N729	I592-Y712 HydrophobicContact CD1-CD1 3.77Å; I592-Y712 HydrophobicContact CD1-CD2 3.67Å; I592-Y712 HydrophobicContact CD1-CE1 4.01Å; I592-Y712 HydrophobicContact CD1-CE2 3.92Å; I592-Y712 HydrophobicContact CD1-CG 3.59Å; I592-Y712 HydrophobicContact CG1-CD1 4.22Å; I592-Y712 HydrophobicContact CG1-CD2 4.48Å; I592-Y712 HydrophobicContact CG1-CE1 3.98Å; I592-Y712 HydrophobicContact CG1-CE2 4.26Å; I592-Y712 HydrophobicContact CG1-CG 4.46Å; I592-Y712 HydrophobicContact CG2-CD2 4.28Å; I592-Y712 HydrophobicContact CG2-CE2 3.56Å; K594-Y712 WeakPolarHBondContact O-CE2 3.43Å; I595-Y712 WeakPolarHBondContact O-CD2 3.39Å; I595-Y712 WeakPolarHBondContact O-CE2 3.45Å; P597-Y712 HydrophobicContact CG-CE2 4.3Å; F707-Y712 HydrophobicContact CE2-CD2 4.48Å; S709-Y712 PolarHBondContact N-O 3.09Å; S709-Y712 CarbonylContact O-C 3.53Å; S709-Y712 PolarHBondContact O-N 2.9Å; S709-Y712 PolarHBondContact OG-N 2.89Å; S709-Y712 VanDerWaalsContact OG-N 3.13Å; Y712-N729 HydrophobicContact CD1-CB 3.87Å; Y712-N729 HydrophobicContact CG-CB 4.37Å
713	R	90.8	Very high	92.6	Very high	124 Å²	124	61 Å²	61	47%	0.468	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-34	-176.4	-165.1	173.5	179.3	179.8	-4.1	113.4	E708 R736	E708-R713 WeakPolarHBondContact OE1-CG 3.46Å; R713-R736 PolarHBondContact O-NH1 3.09Å
714	Y	93.9	Very high	92.4	Very high	37 Å²	37	58 Å²	58	15%	0.145	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	50.5	-173.5	-48.8	-56	0	0	0	111.2	N729 M730 E733	Y714-N729 PolarHBondContact N-OD1 2.99Å; Y714-M730 WeakPolarHBondContact CD2-O 3.39Å; Y714-M730 PolarHBondContact O-N 3.32Å; Y714-E733 HydrophobicContact CD1-CB 4.03Å; Y714-E733 HydrophobicContact CD1-CG 4.48Å; Y714-E733 HydrophobicContact CE1-CB 3.77Å; Y714-E733 HydrophobicContact CE1-CG 4.4Å
715	G	94.6	Very high	92.3	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	137.2	-178.5	0	0	0	0	0	113.7	F707 L728	F707-G715 VanDerWaalsContact CZ-CA 3.46Å; F707-G715 PolarHBondContact N-O 3.1Å; F707-G715 CarbonylContact O-C 3.4Å; F707-G715 WeakPolarHBondContact O-CA 3.3Å; F707-G715 PolarHBondContact O-N 3.49Å; F707-G715 VanDerWaalsContact O-O 3.06Å; G715-L728 CarbonylContact C-O 3.42Å; G715-L728 WeakPolarHBondContact CA-O 3.36Å
716	V	96.2	Very high	92.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	137.3	169.8	-174.1	0	0	0	0	109.1	V704 L705 L728 M730 R736 F739	V704-V716 HydrophobicContact CG1-CG1 3.71Å; L705-V716 CarbonylContact O-C 3.54Å; L705-V716 WeakPolarHBondContact O-CA 3.34Å; V716-L728 PolarHBondContact N-O 3.34Å; V716-L728 PolarHBondContact O-N 3.44Å; V716-M730 HydrophobicContact CB-CE 4.42Å; V716-M730 HydrophobicContact CG2-CE 4.35Å; V716-M730 HydrophobicContact CG2-CG 4.13Å; V716-R736 HydrophobicContact CG2-CG 3.6Å; V716-F739 HydrophobicContact CB-CD1 4.46Å; V716-F739 HydrophobicContact CB-CE1 4.44Å; V716-F739 HydrophobicContact CG1-CD1 3.94Å; V716-F739 HydrophobicContact CG1-CE1 3.68Å; V716-F739 HydrophobicContact CG2-CD1 4.44Å
717	Q	95.1	Very high	92.3	Very high	30 Å²	30	52.5 Å²	52.5	14%	0.14	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	130	176.3	-171.5	174.7	60.5	0	0	109.3	L705 F707 P724 I726 S727	L705-Q717 HydrophobicContact CB-CB 4.36Å; L705-Q717 PolarHBondContact N-O 2.82Å; L705-Q717 PolarHBondContact O-N 2.68Å; F707-Q717 HydrophobicContact CD1-CB 4.25Å; F707-Q717 HydrophobicContact CE1-CB 4.1Å; Q717-P724 VanDerWaalsContact CD-CB 3.5Å; Q717-P724 HydrophobicContact CG-CB 4Å; Q717-P724 VanDerWaalsContact NE2-CB 3.27Å; Q717-I726 WeakPolarHBondContact CA-O 3.37Å; Q717-S727 PolarHBondContact NE2-OG 3.16Å
718	L	95.7	Very high	92.3	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	130.1	168.5	-59.8	-179.5	0	0	0	108.6	L618 L702 R703 V704 V725 I726 F739	L618-L718 HydrophobicContact CD2-CD1 3.3Å; L702-L718 HydrophobicContact CD1-CD1 4.33Å; R703-L718 WeakPolarHBondContact O-CA 3.48Å; V704-L718 HydrophobicContact CB-CD2 4.37Å; V704-L718 HydrophobicContact CG1-CD2 4.44Å; V704-L718 HydrophobicContact CG2-CD2 3.77Å; L718-V725 WeakPolarHBondContact O-CB 3.18Å; L718-V725 PolarHBondContact O-N 3.46Å; L718-I726 HydrophobicContact CB-CG2 3.86Å; L718-I726 HydrophobicContact CD1-CG2 3.83Å; L718-I726 HydrophobicContact CG-CG2 4.04Å; L718-I726 PolarHBondContact N-O 3.32Å; L718-I726 PolarHBondContact O-N 3.36Å; L718-F739 HydrophobicContact CD1-CZ 4.19Å; L718-F739 HydrophobicContact CD2-CE1 4.22Å; L718-F739 HydrophobicContact CD2-CZ 4.28Å; L718-F739 HydrophobicContact CG-CZ 4.44Å
719	C	95.1	Very high	92.4	Very high	11 Å²	11	45.1 Å²	45.1	7%	0.074	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	147.7	-178.5	-62.3	0	0	0	0	110.1	L702 R703 L705 G723	L702-C719 CarbonylContact C-O 3.56Å; L702-C719 WeakPolarHBondContact CA-O 3.45Å; R703-C719 PolarHBondContact N-O 3.09Å; R703-C719 PolarHBondContact O-N 3.33Å; L705-C719 HydrophobicContact CD1-CB 4.48Å; L705-C719 VanDerWaalsContact CD1-SG 3.53Å; C719-G723 CarbonylContact C-O 3.48Å; C719-G723 VanDerWaalsContact CA-O 3.26Å; C719-G723 WeakPolarHBondContact CA-O 3.07Å
720	N	93.2	Very high	92.7	Very high	42 Å²	42	43.8 Å²	43.8	23%	0.225	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	-172.3	165.7	63.7	8.2	0	0	0	110.4	D701 L702 N722 G723 V725	D701-N720 VanDerWaalsContact O-CA 3.29Å; D701-N720 WeakPolarHBondContact O-CA 3.42Å; L702-N720 HydrophobicContact CD2-CB 4.08Å; N720-N722 PolarHBondContact O-N 3.1Å; N720-N722 WeakPolarHBondContact OD1-CA 3.47Å; N720-N722 WeakPolarHBondContact OD1-CB 3.36Å; N720-N722 PolarHBondContact OD1-N 3.27Å; N720-G723 PolarHBondContact N-O 2.78Å; N720-G723 PolarHBondContact O-N 3.22Å; N720-G723 VanDerWaalsContact O-N 3.08Å; N720-G723 PolarHBondContact OD1-N 3.3Å; N720-G723 PolarHBondContact OD1-O 3.04Å; N720-G723 VanDerWaalsContact OD1-O 3.06Å; N720-V725 HydrophobicContact CB-CG2 3.91Å; N720-V725 VanDerWaalsContact CG-CG2 3.46Å
721	S	90.9	Very high	92.8	Very high	77 Å²	77	36.2 Å²	36.2	54%	0.538	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-29.2	171.9	47.7	0	0	0	0	114.2	D701	D701-S721 VanDerWaalsContact OD2-CB 3.28Å; D701-S721 WeakPolarHBondContact OD2-CB 3.29Å; D701-S721 PolarHBondContact OD2-N 3.24Å; D701-S721 VanDerWaalsContact OD2-N 3.13Å; D701-S721 PolarHBondContact OD2-OG 2.96Å
722	N	91.2	Very high	93	Very high	148 Å²	148	33.3 Å²	33.3	79%	0.791	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-1.1	179.5	-60.5	-39.8	0	0	0	114	N720	N720-N722 PolarHBondContact O-N 3.1Å; N720-N722 WeakPolarHBondContact OD1-CA 3.47Å; N720-N722 WeakPolarHBondContact OD1-CB 3.36Å; N720-N722 PolarHBondContact OD1-N 3.27Å
723	G	91.2	Very high	93.2	Very high	23 Å²	23	36.9 Å²	36.9	24%	0.237	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	111.4	-155.5	-180	0	0	0	0	0	113.7	C719 N720 V725	C719-G723 CarbonylContact C-O 3.48Å; C719-G723 VanDerWaalsContact CA-O 3.26Å; C719-G723 WeakPolarHBondContact CA-O 3.07Å; N720-G723 PolarHBondContact N-O 2.78Å; N720-G723 PolarHBondContact O-N 3.22Å; N720-G723 VanDerWaalsContact O-N 3.08Å; N720-G723 PolarHBondContact OD1-N 3.3Å; N720-G723 PolarHBondContact OD1-O 3.04Å; N720-G723 VanDerWaalsContact OD1-O 3.06Å; G723-V725 PolarHBondContact O-N 3.05Å
724	P	92.1	Very high	93.3	Very high	89 Å²	89	32.1 Å²	32.1	58%	0.578	19%	0.192	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	128.5	-172.1	29.2	-34.7	0	0	0	112.4	Q717	Q717-P724 VanDerWaalsContact CD-CB 3.5Å; Q717-P724 HydrophobicContact CG-CB 4Å; Q717-P724 VanDerWaalsContact NE2-CB 3.27Å
725	V	92.8	Very high	93.2	Very high	36 Å²	36	30.5 Å²	30.5	22%	0.218	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-44.8	-177.2	177.1	0	0	0	0	111.4	Y697 L702 L718 N720 G723	Y697-V725 HydrophobicContact CD1-CG1 3.15Å; Y697-V725 HydrophobicContact CD2-CG1 4.45Å; Y697-V725 HydrophobicContact CE1-CG1 3.09Å; Y697-V725 HydrophobicContact CE2-CG1 4.4Å; Y697-V725 HydrophobicContact CG-CG1 3.86Å; L702-V725 HydrophobicContact CD2-CG2 4.13Å; L718-V725 WeakPolarHBondContact O-CB 3.18Å; L718-V725 PolarHBondContact O-N 3.46Å; N720-V725 HydrophobicContact CB-CG2 3.91Å; N720-V725 VanDerWaalsContact CG-CG2 3.46Å; G723-V725 PolarHBondContact O-N 3.05Å
726	I	94.6	Very high	93.3	Very high	8 Å²	8	32.1 Å²	32.1	4%	0.041	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	138.4	175.8	-173.9	167	0	0	0	110.3	E591 V620 Y697 Q717 L718 L728	E591-I726 HydrophobicContact CG-CD1 4.37Å; E591-I726 HydrophobicContact CG-CG1 4.45Å; V620-I726 HydrophobicContact CG1-CD1 4.5Å; V620-I726 HydrophobicContact CG2-CD1 3.85Å; Y697-I726 HydrophobicContact CD2-CG2 4.48Å; Y697-I726 HydrophobicContact CE2-CB 4.16Å; Y697-I726 HydrophobicContact CE2-CD1 4.08Å; Y697-I726 HydrophobicContact CE2-CG2 4.09Å; Q717-I726 WeakPolarHBondContact CA-O 3.37Å; L718-I726 HydrophobicContact CB-CG2 3.86Å; L718-I726 HydrophobicContact CD1-CG2 3.83Å; L718-I726 HydrophobicContact CG-CG2 4.04Å; L718-I726 PolarHBondContact N-O 3.32Å; L718-I726 PolarHBondContact O-N 3.36Å; I726-L728 HydrophobicContact CD1-CD2 3.72Å; I726-L728 HydrophobicContact CD1-CG 4.42Å; I726-L728 HydrophobicContact CG1-CD2 3.78Å; I726-L728 HydrophobicContact CG1-CG 4.1Å
727	S	94.7	Very high	93.2	Very high	15 Å²	15	37.6 Å²	37.6	11%	0.105	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	136.7	175.1	-50.6	0	0	0	0	109.5	I592 Q717	I592-S727 PolarHBondContact N-O 2.99Å; Q717-S727 PolarHBondContact NE2-OG 3.16Å
728	L	95	Very high	93.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	144.4	-167	-59.8	169.7	0	0	0	110.3	T589 Q590 L611 G715 V716 I726 M730 F739	T589-L728 HydrophobicContact CG2-CD2 3.81Å; Q590-L728 CarbonylContact O-C 3.56Å; Q590-L728 WeakPolarHBondContact O-CA 3.49Å; L611-L728 HydrophobicContact CD1-CD1 3.63Å; L611-L728 HydrophobicContact CD2-CD1 4.47Å; L611-L728 HydrophobicContact CD2-CD2 4.36Å; G715-L728 CarbonylContact C-O 3.42Å; G715-L728 WeakPolarHBondContact CA-O 3.36Å; V716-L728 PolarHBondContact N-O 3.34Å; V716-L728 PolarHBondContact O-N 3.44Å; I726-L728 HydrophobicContact CD1-CD2 3.72Å; I726-L728 HydrophobicContact CD1-CG 4.42Å; I726-L728 HydrophobicContact CG1-CD2 3.78Å; I726-L728 HydrophobicContact CG1-CG 4.1Å; L728-M730 HydrophobicContact CB-CE 4.01Å; L728-M730 HydrophobicContact CD1-CE 3.88Å; L728-F739 HydrophobicContact CD1-CE1 4.36Å; L728-F739 HydrophobicContact CD1-CZ 4.09Å
729	N	94.1	Very high	93.2	Very high	8 Å²	8	39.7 Å²	39.7	4%	0.043	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	119.7	168.4	-179.1	50	0	0	0	108.5	T589 Q590 I592 Y712 Y714	T589-N729 PolarHBondContact OG1-O 3.31Å; Q590-N729 HydrophobicContact CB-CB 4.32Å; Q590-N729 PolarHBondContact N-O 3.33Å; Q590-N729 VanDerWaalsContact N-O 3.07Å; Q590-N729 PolarHBondContact O-N 3.01Å; I592-N729 HydrophobicContact CD1-CB 3.6Å; I592-N729 HydrophobicContact CG1-CB 4.03Å; Y712-N729 HydrophobicContact CD1-CB 3.87Å; Y712-N729 HydrophobicContact CG-CB 4.37Å; Y714-N729 PolarHBondContact N-OD1 2.99Å
730	M	93.6	Very high	93.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.224	C	C	.	.			trans	-80.6	150.9	-179	-62.8	-65.3	165.8	0	0	110.7	I587 L611 Y714 V716 L728 S732 R736 F739	I587-M730 HydrophobicContact CG2-SD 4.02Å; L611-M730 HydrophobicContact CD1-CE 4.15Å; Y714-M730 WeakPolarHBondContact CD2-O 3.39Å; Y714-M730 PolarHBondContact O-N 3.32Å; V716-M730 HydrophobicContact CB-CE 4.42Å; V716-M730 HydrophobicContact CG2-CE 4.35Å; V716-M730 HydrophobicContact CG2-CG 4.13Å; L728-M730 HydrophobicContact CB-CE 4.01Å; L728-M730 HydrophobicContact CD1-CE 3.88Å; M730-S732 VanDerWaalsContact C-N 3.31Å; M730-S732 PolarHBondContact O-N 3.5Å; M730-R736 HydrophobicContact CB-CB 3.89Å; M730-R736 HydrophobicContact CG-CB 3.95Å; M730-R736 HydrophobicContact CG-CG 4.35Å; M730-F739 HydrophobicContact CE-CB 3.99Å; M730-F739 HydrophobicContact CE-CD1 3.57Å; M730-F739 HydrophobicContact CE-CD2 4.05Å; M730-F739 HydrophobicContact CE-CE1 4.03Å; M730-F739 HydrophobicContact CE-CE2 4.47Å; M730-F739 HydrophobicContact CE-CG 3.56Å; M730-F739 HydrophobicContact CE-CZ 4.45Å; M730-F739 HydrophobicContact SD-CB 4.36Å
731	P	89.4	Confident	93.3	Very high	6 Å²	6	41.5 Å²	41.5	4%	0.039	23%	0.231	C	C	.	.	S	Bend	trans	-67.9	-31.3	-179.5	24.9	-32.1	0	0	0	113.2	L588 F643 F679 C735	L588-P731 WeakPolarHBondContact O-CD 3.23Å; F643-P731 VanDerWaalsContact CZ-CA 3.46Å; F643-P731 HydrophobicContact CZ-CB 4.27Å; F679-P731 HydrophobicContact CB-CG 3.73Å; F679-P731 HydrophobicContact CD1-CB 3.76Å; F679-P731 HydrophobicContact CD1-CG 3.65Å; F679-P731 HydrophobicContact CD2-CB 4.27Å; F679-P731 HydrophobicContact CD2-CG 4.35Å; F679-P731 HydrophobicContact CE1-CB 3.99Å; F679-P731 HydrophobicContact CE1-CG 4.39Å; F679-P731 HydrophobicContact CE2-CB 4.5Å; F679-P731 HydrophobicContact CG-CB 3.92Å; F679-P731 HydrophobicContact CG-CG 3.65Å; F679-P731 HydrophobicContact CZ-CB 4.37Å; P731-C735 HydrophobicContact CG-CB 3.95Å
732	S	90.6	Very high	93.6	Very high	36 Å²	36	39.3 Å²	39.3	25%	0.252	21%	0.211	S	C	.	.	S	Bend	trans	-148.2	162.3	-179.8	67.7	0	0	0	0	110.6	M730 A734 C735 R736	M730-S732 VanDerWaalsContact C-N 3.31Å; M730-S732 PolarHBondContact O-N 3.5Å; S732-A734 PolarHBondContact O-N 3.09Å; S732-C735 PolarHBondContact O-N 3.08Å; S732-C735 PolarHBondContact OG-N 3.31Å; S732-R736 PolarHBondContact O-N 3.35Å
733	E	92.6	Very high	93.8	Very high	85 Å²	85	32.3 Å²	32.3	40%	0.397	17%	0.173	S	C	.	.	H	α-helix	trans	-60.9	-34.9	173.7	-161.8	-157.3	125.5	0	0	112.1	Y714 R736 R737	Y714-E733 HydrophobicContact CD1-CB 4.03Å; Y714-E733 HydrophobicContact CD1-CG 4.48Å; Y714-E733 HydrophobicContact CE1-CB 3.77Å; Y714-E733 HydrophobicContact CE1-CG 4.4Å; E733-R736 WeakPolarHBondContact O-CB 3.44Å; E733-R736 PolarHBondContact O-N 2.87Å; E733-R737 PolarHBondContact O-N 3.48Å; E733-R737 IonicContact OE1-CZ 2.78Å; E733-R737 IonicContact OE1-NE 3.24Å; E733-R737 PolarHBondContact OE1-NE 2.83Å; E733-R737 IonicContact OE1-NH2 3.69Å; E733-R737 PolarHBondContact OE1-NH2 3.44Å
734	A	91.8	Very high	94	Very high	24 Å²	24	36.9 Å²	36.9	20%	0.198	18%	0.184	C	C	.	.	H	α-helix	trans	-67.1	-42.7	177.8	0	0	0	0	0	112.1	S732 R736 R737 Q738	S732-A734 PolarHBondContact O-N 3.09Å; A734-R736 VanDerWaalsContact C-N 3.3Å; A734-R736 PolarHBondContact O-N 3.12Å; A734-R737 PolarHBondContact O-N 3.28Å; A734-Q738 WeakPolarHBondContact O-CB 3.38Å; A734-Q738 PolarHBondContact O-N 3.18Å
735	C	93.2	Very high	94.1	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.014	18%	0.176	C	C	.	.	H	α-helix	trans	-66.8	-32.1	172.4	-87.5	0	0	0	0	112.1	C680 P731 S732 F739	C680-C735 WeakPolarHBondContact CB-SG 2.94Å; C680-C735 VanDerWaalsContact SG-CA 3.53Å; C680-C735 WeakPolarHBondContact SG-CB 3.32Å; C680-C735 CovalentContact SG-SG 2.07Å; C680-C735 PolarHBondContact SG-SG 3.29Å; P731-C735 HydrophobicContact CG-CB 3.95Å; S732-C735 PolarHBondContact O-N 3.08Å; S732-C735 PolarHBondContact OG-N 3.31Å; C735-F739 WeakPolarHBondContact O-CB 3.43Å; C735-F739 PolarHBondContact O-N 3.06Å
736	R	95.4	Very high	94.3	Very high	35 Å²	35	32.9 Å²	32.9	13%	0.132	17%	0.166	C	C	.	.	H	α-helix	trans	-61.4	-50.2	170.9	-177	171.8	72.6	174.1	-2.3	111.6	R713 V716 M730 S732 E733 A734 F739 I740	R713-R736 PolarHBondContact O-NH1 3.09Å; V716-R736 HydrophobicContact CG2-CG 3.6Å; M730-R736 HydrophobicContact CB-CB 3.89Å; M730-R736 HydrophobicContact CG-CB 3.95Å; M730-R736 HydrophobicContact CG-CG 4.35Å; S732-R736 PolarHBondContact O-N 3.35Å; E733-R736 WeakPolarHBondContact O-CB 3.44Å; E733-R736 PolarHBondContact O-N 2.87Å; A734-R736 VanDerWaalsContact C-N 3.3Å; A734-R736 PolarHBondContact O-N 3.12Å; R736-F739 PolarHBondContact O-N 2.88Å; R736-I740 HydrophobicContact CG-CD1 3.74Å; R736-I740 WeakPolarHBondContact O-CB 3.44Å; R736-I740 WeakPolarHBondContact O-CD1 3.21Å; R736-I740 WeakPolarHBondContact O-CG1 3.4Å; R736-I740 PolarHBondContact O-N 3.46Å
737	R	95.2	Very high	94.4	Very high	114 Å²	114	32.9 Å²	32.9	43%	0.43	17%	0.166	S	C	.	.	H	α-helix	trans	-59.9	-47.7	177.1	-77.1	-173.1	-98.5	112.2	-7.7	111.8	E733 A734 F739 I740 D741	E733-R737 PolarHBondContact O-N 3.48Å; E733-R737 IonicContact OE1-CZ 2.78Å; E733-R737 IonicContact OE1-NE 3.24Å; E733-R737 PolarHBondContact OE1-NE 2.83Å; E733-R737 IonicContact OE1-NH2 3.69Å; E733-R737 PolarHBondContact OE1-NH2 3.44Å; A734-R737 PolarHBondContact O-N 3.28Å; R737-F739 PolarHBondContact O-N 3.38Å; R737-I740 WeakPolarHBondContact O-CB 3.15Å; R737-I740 PolarHBondContact O-N 3.19Å; R737-I740 VanDerWaalsContact O-N 3.16Å; R737-D741 PolarHBondContact O-N 3.41Å
738	Q	94.7	Very high	94.4	Very high	74 Å²	74	33.3 Å²	33.3	35%	0.346	17%	0.17	S	C	.	.	H	α-helix	trans	-61.2	-42.8	178.6	-168.3	64.4	55.7	0	0	112.9	A734 I740 D741 W742	A734-Q738 WeakPolarHBondContact O-CB 3.38Å; A734-Q738 PolarHBondContact O-N 3.18Å; Q738-I740 VanDerWaalsContact C-N 3.32Å; Q738-I740 PolarHBondContact O-N 3.13Å; Q738-D741 PolarHBondContact O-N 3.49Å; Q738-W742 HydrophobicContact CG-CD2 4.05Å; Q738-W742 HydrophobicContact CG-CE3 4.16Å; Q738-W742 HydrophobicContact CG-CH2 3.86Å; Q738-W742 HydrophobicContact CG-CZ2 3.68Å; Q738-W742 HydrophobicContact CG-CZ3 4.1Å; Q738-W742 PolarHBondContact O-N 3.13Å
739	F	96	Very high	94.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.2	-46.2	175.1	176.6	-106.5	0	0	0	111.5	I587 L611 I613 L618 V716 L718 L728 M730 C735 R736 R737 W742 A743	I587-F739 HydrophobicContact CD1-CB 3.52Å; I587-F739 HydrophobicContact CD1-CD2 4.07Å; I587-F739 HydrophobicContact CD1-CG 4.29Å; L611-F739 HydrophobicContact CD1-CD2 3.88Å; L611-F739 HydrophobicContact CD1-CE2 3.46Å; L611-F739 VanDerWaalsContact CD1-CE2 3.46Å; L611-F739 HydrophobicContact CD1-CZ 4.08Å; I613-F739 HydrophobicContact CD1-CD2 3.77Å; I613-F739 HydrophobicContact CD1-CE2 4.04Å; I613-F739 HydrophobicContact CG1-CE2 4.32Å; L618-F739 HydrophobicContact CD1-CE2 4.5Å; V716-F739 HydrophobicContact CB-CD1 4.46Å; V716-F739 HydrophobicContact CB-CE1 4.44Å; V716-F739 HydrophobicContact CG1-CD1 3.94Å; V716-F739 HydrophobicContact CG1-CE1 3.68Å; V716-F739 HydrophobicContact CG2-CD1 4.44Å; L718-F739 HydrophobicContact CD1-CZ 4.19Å; L718-F739 HydrophobicContact CD2-CE1 4.22Å; L718-F739 HydrophobicContact CD2-CZ 4.28Å; L718-F739 HydrophobicContact CG-CZ 4.44Å; L728-F739 HydrophobicContact CD1-CE1 4.36Å; L728-F739 HydrophobicContact CD1-CZ 4.09Å; M730-F739 HydrophobicContact CE-CB 3.99Å; M730-F739 HydrophobicContact CE-CD1 3.57Å; M730-F739 HydrophobicContact CE-CD2 4.05Å; M730-F739 HydrophobicContact CE-CE1 4.03Å; M730-F739 HydrophobicContact CE-CE2 4.47Å; M730-F739 HydrophobicContact CE-CG 3.56Å; M730-F739 HydrophobicContact CE-CZ 4.45Å; M730-F739 HydrophobicContact SD-CB 4.36Å; C735-F739 WeakPolarHBondContact O-CB 3.43Å; C735-F739 PolarHBondContact O-N 3.06Å; R736-F739 PolarHBondContact O-N 2.88Å; R737-F739 PolarHBondContact O-N 3.38Å; F739-W742 PolarHBondContact O-N 3.19Å; F739-A743 HydrophobicContact CE1-CB 4.45Å; F739-A743 HydrophobicContact CZ-CB 4.42Å; F739-A743 VanDerWaalsContact O-CB 3.29Å; F739-A743 WeakPolarHBondContact O-CB 3.46Å; F739-A743 PolarHBondContact O-N 2.86Å
740	I	96.4	Very high	94.4	Very high	25 Å²	25	33.8 Å²	33.8	13%	0.128	17%	0.173	C	C	.	.	H	α-helix	trans	-60.9	-47.4	-179.7	-72.7	167.4	0	0	0	110.1	V704 V706 R736 R737 Q738 W742 A743 Y744	V704-I740 HydrophobicContact CG1-CG1 4.17Å; V706-I740 HydrophobicContact CG2-CD1 3.5Å; V706-I740 VanDerWaalsContact CG2-CD1 3.5Å; V706-I740 HydrophobicContact CG2-CG1 4.38Å; R736-I740 HydrophobicContact CG-CD1 3.74Å; R736-I740 WeakPolarHBondContact O-CB 3.44Å; R736-I740 WeakPolarHBondContact O-CD1 3.21Å; R736-I740 WeakPolarHBondContact O-CG1 3.4Å; R736-I740 PolarHBondContact O-N 3.46Å; R737-I740 WeakPolarHBondContact O-CB 3.15Å; R737-I740 PolarHBondContact O-N 3.19Å; R737-I740 VanDerWaalsContact O-N 3.16Å; Q738-I740 VanDerWaalsContact C-N 3.32Å; Q738-I740 PolarHBondContact O-N 3.13Å; I740-W742 PolarHBondContact O-N 3.03Å; I740-A743 PolarHBondContact O-N 3.49Å; I740-Y744 HydrophobicContact CG2-CD2 3.35Å; I740-Y744 HydrophobicContact CG2-CE2 3.38Å; I740-Y744 WeakPolarHBondContact O-CB 3.24Å; I740-Y744 VanDerWaalsContact O-CD2 3.29Å; I740-Y744 WeakPolarHBondContact O-CD2 3.05Å; I740-Y744 PolarHBondContact O-N 3.17Å
741	D	94.4	Very high	94.5	Very high	66 Å²	66	37.6 Å²	37.6	35%	0.353	19%	0.191	S	C	.	.	H	α-helix	trans	-60.4	-45	179	-70.3	-17.1	0	0	0	111.8	R737 Q738 G745	R737-D741 PolarHBondContact O-N 3.41Å; Q738-D741 PolarHBondContact O-N 3.49Å; D741-G745 PolarHBondContact O-N 3.3Å
742	W	95.9	Very high	94.7	Very high	32 Å²	32	38.6 Å²	38.6	12%	0.121	20%	0.195	C	C	.	.	H	α-helix	trans	-64.7	-45.3	176	-70	-20.9	0	0	0	112.5	I584 I587 I613 T682 Q738 F739 I740 G745 S746	I584-W742 HydrophobicContact CG2-CB 3.95Å; I584-W742 VanDerWaalsContact CG2-CD1 3.41Å; I584-W742 HydrophobicContact CG2-CD2 3.97Å; I584-W742 HydrophobicContact CG2-CG 3.52Å; I587-W742 HydrophobicContact CD1-CE3 3.72Å; I587-W742 HydrophobicContact CD1-CZ3 3.61Å; I587-W742 HydrophobicContact CG1-CE3 4.05Å; I587-W742 HydrophobicContact CG1-CZ3 3.52Å; I613-W742 HydrophobicContact CD1-CB 4.35Å; I613-W742 HydrophobicContact CD1-CD2 4.43Å; I613-W742 HydrophobicContact CD1-CE3 3.51Å; I613-W742 HydrophobicContact CD1-CZ3 4.22Å; I613-W742 HydrophobicContact CG2-CB 4.11Å; T682-W742 HydrophobicContact CG2-CH2 4.36Å; T682-W742 HydrophobicContact CG2-CZ2 3.72Å; Q738-W742 HydrophobicContact CG-CD2 4.05Å; Q738-W742 HydrophobicContact CG-CE3 4.16Å; Q738-W742 HydrophobicContact CG-CH2 3.86Å; Q738-W742 HydrophobicContact CG-CZ2 3.68Å; Q738-W742 HydrophobicContact CG-CZ3 4.1Å; Q738-W742 PolarHBondContact O-N 3.13Å; F739-W742 PolarHBondContact O-N 3.19Å; I740-W742 PolarHBondContact O-N 3.03Å; W742-G745 PolarHBondContact O-N 3.48Å; W742-S746 PolarHBondContact O-N 3.26Å; W742-S746 PolarHBondContact O-OG 2.91Å
743	A	96.4	Very high	94.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.8	-45.7	-180	0	0	0	0	0	111.8	F699 V704 F739 I740 G745 S746 I747	F699-A743 HydrophobicContact CE1-CB 4.13Å; V704-A743 HydrophobicContact CG2-CB 3.93Å; F739-A743 HydrophobicContact CE1-CB 4.45Å; F739-A743 HydrophobicContact CZ-CB 4.42Å; F739-A743 VanDerWaalsContact O-CB 3.29Å; F739-A743 WeakPolarHBondContact O-CB 3.46Å; F739-A743 PolarHBondContact O-N 2.86Å; I740-A743 PolarHBondContact O-N 3.49Å; A743-G745 VanDerWaalsContact C-N 3.35Å; A743-G745 PolarHBondContact O-N 3.06Å; A743-S746 PolarHBondContact O-N 3.46Å; A743-I747 WeakPolarHBondContact O-CB 3.46Å; A743-I747 WeakPolarHBondContact O-CD1 3.32Å; A743-I747 WeakPolarHBondContact O-CG1 3.37Å; A743-I747 PolarHBondContact O-N 3.41Å
744	Y	95	Very high	94.9	Very high	119 Å²	119	36.8 Å²	36.8	47%	0.467	18%	0.182	S	C	.	.	H	α-helix	trans	-63.3	-40.6	176	-85.2	-62.9	0	0	0	112	V704 I740 S746 I747 A748	V704-Y744 HydrophobicContact CB-CE1 4.49Å; V704-Y744 HydrophobicContact CB-CE2 4.19Å; I740-Y744 HydrophobicContact CG2-CD2 3.35Å; I740-Y744 HydrophobicContact CG2-CE2 3.38Å; I740-Y744 WeakPolarHBondContact O-CB 3.24Å; I740-Y744 VanDerWaalsContact O-CD2 3.29Å; I740-Y744 WeakPolarHBondContact O-CD2 3.05Å; I740-Y744 PolarHBondContact O-N 3.17Å; Y744-S746 PolarHBondContact O-N 3.37Å; Y744-I747 PolarHBondContact O-N 3.12Å; Y744-A748 VanDerWaalsContact O-CB 3.26Å; Y744-A748 WeakPolarHBondContact O-CB 3.12Å; Y744-A748 PolarHBondContact O-N 3.43Å
745	G	94.2	Very high	94.9	Very high	41 Å²	41	40.5 Å²	40.5	42%	0.423	20%	0.195	S	C	.	.	H	α-helix	trans	-57.1	-47.9	174.3	0	0	0	0	0	112.3	D741 W742 A743 E749	D741-G745 PolarHBondContact O-N 3.3Å; W742-G745 PolarHBondContact O-N 3.48Å; A743-G745 VanDerWaalsContact C-N 3.35Å; A743-G745 PolarHBondContact O-N 3.06Å; G745-E749 WeakPolarHBondContact O-CB 3.39Å; G745-E749 PolarHBondContact O-N 2.88Å
746	S	96.6	Very high	94.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.1	-43.8	177.1	-64.5	0	0	0	0	113.1	I584 F614 N615 F699 W742 A743 Y744 E749 M750	I584-S746 WeakPolarHBondContact CD1-OG 3.23Å; F614-S746 PolarHBondContact O-OG 2.87Å; N615-S746 WeakPolarHBondContact O-CB 2.99Å; F699-S746 VanDerWaalsContact CD2-CB 3.43Å; W742-S746 PolarHBondContact O-N 3.26Å; W742-S746 PolarHBondContact O-OG 2.91Å; A743-S746 PolarHBondContact O-N 3.46Å; Y744-S746 PolarHBondContact O-N 3.37Å; S746-E749 PolarHBondContact O-N 3.36Å; S746-M750 WeakPolarHBondContact O-CG 3.15Å; S746-M750 PolarHBondContact O-N 3.31Å
747	I	96.2	Very high	94.5	Very high	9 Å²	9	44 Å²	44	5%	0.046	21%	0.213	C	C	.	.	H	α-helix	trans	-60.9	-48.6	178.2	-68.8	161.5	0	0	0	110	F699 L702 V704 A743 Y744 E749 M750 E751	F699-I747 HydrophobicContact CB-CG1 4.25Å; F699-I747 HydrophobicContact CD1-CD1 4.34Å; F699-I747 HydrophobicContact CD1-CG1 3.71Å; F699-I747 HydrophobicContact CG-CG1 4.39Å; L702-I747 HydrophobicContact CB-CD1 4.21Å; L702-I747 HydrophobicContact CB-CG1 4.34Å; L702-I747 WeakPolarHBondContact O-CD1 3.46Å; V704-I747 HydrophobicContact CG2-CD1 3.84Å; A743-I747 WeakPolarHBondContact O-CB 3.46Å; A743-I747 WeakPolarHBondContact O-CD1 3.32Å; A743-I747 WeakPolarHBondContact O-CG1 3.37Å; A743-I747 PolarHBondContact O-N 3.41Å; Y744-I747 PolarHBondContact O-N 3.12Å; I747-E749 PolarHBondContact O-N 3.43Å; I747-M750 PolarHBondContact O-N 2.94Å; I747-M750 VanDerWaalsContact O-N 3.14Å; I747-E751 HydrophobicContact CG2-CG 4.34Å; I747-E751 WeakPolarHBondContact O-CG 3.42Å; I747-E751 PolarHBondContact O-N 2.88Å
748	A	94.7	Very high	94	Very high	23 Å²	23	44 Å²	44	19%	0.19	22%	0.218	C	C	.	.	H	α-helix	trans	-60.4	-43.8	178.2	0	0	0	0	0	111.9	R362 Y744 M750 E751 E752	R362-A748 PolarHBondContact NE-O 3.13Å; R362-A748 VanDerWaalsContact NE-O 3.07Å; R362-A748 PolarHBondContact NH2-O 3.37Å; Y744-A748 VanDerWaalsContact O-CB 3.26Å; Y744-A748 WeakPolarHBondContact O-CB 3.12Å; Y744-A748 PolarHBondContact O-N 3.43Å; A748-M750 VanDerWaalsContact C-N 3.31Å; A748-M750 PolarHBondContact O-N 2.83Å; A748-E751 PolarHBondContact O-N 3.42Å; A748-E752 WeakPolarHBondContact O-CB 3.47Å; A748-E752 PolarHBondContact O-N 3.39Å
749	E	95.5	Very high	93.5	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.019	22%	0.222	C	C	.	.	H	α-helix	trans	-59	-43.2	174.8	-166.6	-173.7	129.9	0	0	111.2	L365 A366 T369 R582 N615 G745 S746 I747 E752 L753	L365-E749 HydrophobicContact CB-CG 4.38Å; A366-E749 HydrophobicContact CB-CG 4.45Å; T369-E749 PolarHBondContact OG1-OE1 2.89Å; R582-E749 IonicContact NH2-OE2 2.98Å; R582-E749 PolarHBondContact NH2-OE2 3.35Å; N615-E749 PolarHBondContact ND2-OE1 3.48Å; G745-E749 WeakPolarHBondContact O-CB 3.39Å; G745-E749 PolarHBondContact O-N 2.88Å; S746-E749 PolarHBondContact O-N 3.36Å; I747-E749 PolarHBondContact O-N 3.43Å; E749-E752 WeakPolarHBondContact O-CB 3.03Å; E749-E752 PolarHBondContact O-N 2.87Å; E749-L753 WeakPolarHBondContact O-CG 3.06Å; E749-L753 PolarHBondContact O-N 3.05Å; E749-L753 VanDerWaalsContact O-N 3.15Å
750	M	95.4	Very high	92.7	Very high	15 Å²	15	47.9 Å²	47.9	7%	0.074	24%	0.24	C	C	.	.	H	α-helix	trans	-71.2	-36.8	-179.1	-68.9	-52.9	94.4	0	0	113.6	D616 F699 L700 S746 I747 A748 E752 L753 Q754	D616-M750 HydrophobicContact CB-CE 4.44Å; D616-M750 HydrophobicContact CB-SD 3.77Å; F699-M750 HydrophobicContact CB-CG 4.06Å; L700-M750 HydrophobicContact CD1-CB 4.46Å; S746-M750 WeakPolarHBondContact O-CG 3.15Å; S746-M750 PolarHBondContact O-N 3.31Å; I747-M750 PolarHBondContact O-N 2.94Å; I747-M750 VanDerWaalsContact O-N 3.14Å; A748-M750 VanDerWaalsContact C-N 3.31Å; A748-M750 PolarHBondContact O-N 2.83Å; M750-E752 VanDerWaalsContact C-N 3.34Å; M750-L753 HydrophobicContact CE-CD1 3.34Å; M750-L753 HydrophobicContact CE-CG 4.39Å; M750-L753 PolarHBondContact O-N 2.91Å; M750-L753 HydrophobicContact SD-CD1 4.09Å; M750-Q754 WeakPolarHBondContact O-CB 3.47Å; M750-Q754 PolarHBondContact O-N 2.84Å
751	E	94.2	Very high	91.7	Very high	80 Å²	80	53.2 Å²	53.2	37%	0.374	26%	0.262	S	S	.	.	H	α-helix	trans	-62.3	-42.1	172.4	-75.5	175.6	173.3	0	0	111.6	R362 I747 A748 L753 Q754 Q755	R362-E751 IonicContact NH2-OE2 3.16Å; R362-E751 PolarHBondContact NH2-OE2 2.93Å; I747-E751 HydrophobicContact CG2-CG 4.34Å; I747-E751 WeakPolarHBondContact O-CG 3.42Å; I747-E751 PolarHBondContact O-N 2.88Å; A748-E751 PolarHBondContact O-N 3.42Å; E751-L753 PolarHBondContact O-N 3.01Å; E751-Q754 PolarHBondContact O-N 3Å; E751-Q755 WeakPolarHBondContact O-CG 3.38Å; E751-Q755 PolarHBondContact O-N 3.24Å
752	E	94.2	Very high	90.4	Very high	26 Å²	26	51.9 Å²	51.9	12%	0.121	26%	0.258	C	S	.	.	H	α-helix	trans	-58.7	-47.7	176.3	-172	66.4	-153	0	0	111.2	R362 A366 Y381 A748 E749 M750 Q754 Q755 H756	R362-E752 HydrophobicContact CG-CB 4.43Å; R362-E752 IonicContact CZ-OE2 3.48Å; R362-E752 IonicContact NE-OE2 3.82Å; R362-E752 PolarHBondContact NE-OE2 3.16Å; R362-E752 VanDerWaalsContact NE-OE2 3.11Å; R362-E752 IonicContact NH2-OE2 3.04Å; A366-E752 HydrophobicContact CB-CB 4.05Å; A366-E752 HydrophobicContact CB-CG 3.6Å; Y381-E752 WeakPolarHBondContact OH-CG 3.21Å; Y381-E752 PolarHBondContact OH-OE1 3.07Å; A748-E752 WeakPolarHBondContact O-CB 3.47Å; A748-E752 PolarHBondContact O-N 3.39Å; E749-E752 WeakPolarHBondContact O-CB 3.03Å; E749-E752 PolarHBondContact O-N 2.87Å; M750-E752 VanDerWaalsContact C-N 3.34Å; E752-Q754 VanDerWaalsContact C-N 3.31Å; E752-Q754 PolarHBondContact O-N 2.97Å; E752-Q755 PolarHBondContact O-N 3.29Å; E752-H756 PolarHBondContact O-N 2.7Å
753	L	94.1	Very high	89.2	Confident	5 Å²	5	54.3 Å²	54.3	3%	0.026	27%	0.271	C	S	.	.	H	α-helix	trans	-64	-37	177.6	-68	177.6	0	0	0	112.4	A366 T369 L370 E749 M750 E751 H756 Q757	A366-L753 HydrophobicContact CB-CD2 3.94Å; A366-L753 HydrophobicContact CB-CG 4.26Å; A366-L753 WeakPolarHBondContact O-CD2 3.38Å; T369-L753 HydrophobicContact CG2-CD1 3.49Å; T369-L753 VanDerWaalsContact CG2-CD1 3.49Å; L370-L753 HydrophobicContact CD1-CD2 4.06Å; L370-L753 HydrophobicContact CD2-CD2 3.76Å; L370-L753 HydrophobicContact CG-CD2 3.52Å; E749-L753 WeakPolarHBondContact O-CG 3.06Å; E749-L753 PolarHBondContact O-N 3.05Å; E749-L753 VanDerWaalsContact O-N 3.15Å; M750-L753 HydrophobicContact CE-CD1 3.34Å; M750-L753 HydrophobicContact CE-CG 4.39Å; M750-L753 PolarHBondContact O-N 2.91Å; M750-L753 HydrophobicContact SD-CD1 4.09Å; E751-L753 PolarHBondContact O-N 3.01Å; L753-H756 PolarHBondContact O-N 3.18Å; L753-Q757 WeakPolarHBondContact O-CG 2.83Å; L753-Q757 PolarHBondContact O-N 3.08Å; L753-Q757 VanDerWaalsContact O-N 3.08Å
754	Q	93.4	Very high	87.4	Confident	79 Å²	79	57.6 Å²	57.6	37%	0.369	29%	0.293	S	S	.	.	H	α-helix	trans	-66.4	-43.5	177.4	-172.2	179.8	31.6	0	0	111.3	L700 M750 E751 E752 Q757 Q758	L700-Q754 HydrophobicContact CD1-CB 4.01Å; L700-Q754 HydrophobicContact CD1-CG 4.24Å; M750-Q754 WeakPolarHBondContact O-CB 3.47Å; M750-Q754 PolarHBondContact O-N 2.84Å; E751-Q754 PolarHBondContact O-N 3Å; E752-Q754 VanDerWaalsContact C-N 3.31Å; E752-Q754 PolarHBondContact O-N 2.97Å; Q754-Q757 PolarHBondContact O-N 3.2Å; Q754-Q758 WeakPolarHBondContact O-CG 3.36Å; Q754-Q758 PolarHBondContact O-N 3.47Å
755	Q	91.8	Very high	85.5	Confident	101 Å²	101	58 Å²	58	47%	0.472	30%	0.299	S	S	.	.	H	α-helix	trans	-60.1	-46.1	175.5	-70.3	173.6	22.8	0	0	110.9	E751 E752 Q757 Q758 V759	E751-Q755 WeakPolarHBondContact O-CG 3.38Å; E751-Q755 PolarHBondContact O-N 3.24Å; E752-Q755 PolarHBondContact O-N 3.29Å; Q755-Q757 VanDerWaalsContact C-N 3.32Å; Q755-Q757 PolarHBondContact O-N 3.36Å; Q755-Q758 PolarHBondContact O-N 3.33Å; Q755-Q758 VanDerWaalsContact O-N 3.12Å; Q755-V759 WeakPolarHBondContact O-CG2 3.22Å; Q755-V759 PolarHBondContact O-N 3.33Å
756	H	91.2	Very high	83.6	Confident	26 Å²	26	64.1 Å²	64.1	12%	0.12	31%	0.309	C	S	.	.	H	α-helix	trans	-58.9	-42.3	177	-174.9	57.4	0	0	0	112.7	E377 Y381 E752 L753 Q758 V759 K760	E377-H756 IonicContact OE1-CD2 2.86Å; E377-H756 IonicContact OE1-NE2 3.18Å; Y381-H756 HydrophobicContact CD2-CB 4.41Å; Y381-H756 AromaticContact CD2-CD2 3.97Å; Y381-H756 AromaticContact CD2-CE1 3.66Å; Y381-H756 AromaticContact CD2-CG 3.7Å; Y381-H756 AromaticContact CD2-ND1 3.49Å; Y381-H756 WeakPolarHBondContact CD2-ND1 3.49Å; Y381-H756 AromaticContact CD2-NE2 3.95Å; Y381-H756 HydrophobicContact CE2-CB 4.09Å; Y381-H756 AromaticContact CE2-CG 3.87Å; Y381-H756 AromaticContact CE2-ND1 3.84Å; E752-H756 PolarHBondContact O-N 2.7Å; L753-H756 PolarHBondContact O-N 3.18Å; H756-Q758 VanDerWaalsContact C-N 3.33Å; H756-Q758 PolarHBondContact O-N 3.12Å; H756-V759 PolarHBondContact O-N 3.08Å; H756-K760 WeakPolarHBondContact O-CB 3.23Å; H756-K760 PolarHBondContact O-N 2.9Å
757	Q	88.2	Confident	81.7	Confident	84 Å²	84	68 Å²	68	39%	0.393	33%	0.333	S	S	.	.	H	α-helix	trans	-64.5	-35.2	176.4	-73.9	-179.4	5.5	0	0	113.2	L753 Q754 Q755 K761	L753-Q757 WeakPolarHBondContact O-CG 2.83Å; L753-Q757 PolarHBondContact O-N 3.08Å; L753-Q757 VanDerWaalsContact O-N 3.08Å; Q754-Q757 PolarHBondContact O-N 3.2Å; Q755-Q757 VanDerWaalsContact C-N 3.32Å; Q755-Q757 PolarHBondContact O-N 3.36Å; Q757-K761 WeakPolarHBondContact O-CG 3.5Å; Q757-K761 PolarHBondContact O-N 3.3Å; Q757-K761 VanDerWaalsContact O-N 3.15Å
758	Q	85.4	Confident	79.6	Confident	116 Å²	116	72 Å²	72	54%	0.542	35%	0.354	S	S	.	.	H	α-helix	trans	-68.3	-45.7	176	-71.4	175.7	3.8	0	0	111.4	Q754 Q755 H756 K760 K761 S762	Q754-Q758 WeakPolarHBondContact O-CG 3.36Å; Q754-Q758 PolarHBondContact O-N 3.47Å; Q755-Q758 PolarHBondContact O-N 3.33Å; Q755-Q758 VanDerWaalsContact O-N 3.12Å; H756-Q758 VanDerWaalsContact C-N 3.33Å; H756-Q758 PolarHBondContact O-N 3.12Å; Q758-K760 VanDerWaalsContact C-N 3.34Å; Q758-K760 PolarHBondContact O-N 2.82Å; Q758-K761 PolarHBondContact O-N 2.96Å; Q758-S762 PolarHBondContact O-N 3.01Å
759	V	83.4	Confident	77.6	Confident	71 Å²	71	75 Å²	75	43%	0.43	37%	0.365	S	S	.	.	H	α-helix	trans	-57.8	-48.6	176.2	174.5	0	0	0	0	110.3	Q755 H756 K761 S762 E763	Q755-V759 WeakPolarHBondContact O-CG2 3.22Å; Q755-V759 PolarHBondContact O-N 3.33Å; H756-V759 PolarHBondContact O-N 3.08Å; V759-K761 PolarHBondContact O-N 2.95Å; V759-S762 PolarHBondContact O-N 3.17Å; V759-S762 VanDerWaalsContact O-N 3.1Å; V759-S762 PolarHBondContact O-OG 3.43Å; V759-E763 HydrophobicContact CG1-CG 4.43Å; V759-E763 PolarHBondContact O-N 2.78Å
760	K	79.5	Confident	75.5	Confident	84 Å²	84	77.1 Å²	77.1	37%	0.365	38%	0.379	S	S	.	.	H	α-helix	trans	-58.5	-43.4	178.7	-170.6	-179.4	-173.7	179	0	112.9	E377 H756 Q758 S762 E763 C764	E377-K760 IonicContact OE1-NZ 2.74Å; E377-K760 PolarHBondContact OE1-NZ 3.02Å; E377-K760 IonicContact OE2-NZ 3.04Å; E377-K760 PolarHBondContact OE2-NZ 2.62Å; H756-K760 WeakPolarHBondContact O-CB 3.23Å; H756-K760 PolarHBondContact O-N 2.9Å; Q758-K760 VanDerWaalsContact C-N 3.34Å; Q758-K760 PolarHBondContact O-N 2.82Å; K760-S762 VanDerWaalsContact C-N 3.33Å; K760-S762 PolarHBondContact O-N 3.23Å; K760-E763 PolarHBondContact O-N 3.24Å; K760-C764 PolarHBondContact O-N 3.44Å; K760-C764 PolarHBondContact O-SG 3.44Å; K760-C764 VanDerWaalsContact O-SG 3.35Å
761	K	75.1	Confident	73	Confident	136 Å²	136	81.2 Å²	81.2	59%	0.591	40%	0.401	S	S	*	.	H	α-helix	trans	-60.4	-43.7	175.8	-75.1	174.5	-178.4	178.8	0	111.6	Q757 Q758 V759 E763 C764 E765	Q757-K761 WeakPolarHBondContact O-CG 3.5Å; Q757-K761 PolarHBondContact O-N 3.3Å; Q757-K761 VanDerWaalsContact O-N 3.15Å; Q758-K761 PolarHBondContact O-N 2.96Å; V759-K761 PolarHBondContact O-N 2.95Å; K761-E763 PolarHBondContact O-N 3.46Å; K761-C764 PolarHBondContact O-N 3.38Å; K761-E765 WeakPolarHBondContact O-CG 3.25Å; K761-E765 PolarHBondContact O-N 3.49Å
762	S	67.8	Low	70.4	Confident	39 Å²	39	79.9 Å²	79.9	27%	0.273	40%	0.4	S	S	.	.	H	α-helix	trans	-66.6	-34.2	178	74.2	0	0	0	0	113.4	Q758 V759 K760 R766	Q758-S762 PolarHBondContact O-N 3.01Å; V759-S762 PolarHBondContact O-N 3.17Å; V759-S762 VanDerWaalsContact O-N 3.1Å; V759-S762 PolarHBondContact O-OG 3.43Å; K760-S762 VanDerWaalsContact C-N 3.33Å; K760-S762 PolarHBondContact O-N 3.23Å; S762-R766 WeakPolarHBondContact O-CG 3.27Å; S762-R766 PolarHBondContact O-N 3.3Å
763	E	69.9	Low	68	Low	83 Å²	83	87 Å²	87	39%	0.388	43%	0.43	S	S	.	.	H	α-helix	trans	-68.3	-41.5	174.5	-73	178.4	170.8	0	0	112	V759 K760 K761 R766 T767	V759-E763 HydrophobicContact CG1-CG 4.43Å; V759-E763 PolarHBondContact O-N 2.78Å; K760-E763 PolarHBondContact O-N 3.24Å; K761-E763 PolarHBondContact O-N 3.46Å; E763-R766 PolarHBondContact O-N 3.09Å; E763-T767 PolarHBondContact O-N 3.5Å; E763-T767 PolarHBondContact O-OG1 3Å
764	C	59.9	Low	65.5	Low	69 Å²	69	94.7 Å²	94.7	47%	0.466	46%	0.459	S	S	.	.	H	α-helix	trans	-60.9	-46.2	173.9	-69.9	0	0	0	0	111.2	K760 K761 R766 T767 I768	K760-C764 PolarHBondContact O-N 3.44Å; K760-C764 PolarHBondContact O-SG 3.44Å; K760-C764 VanDerWaalsContact O-SG 3.35Å; K761-C764 PolarHBondContact O-N 3.38Å; C764-R766 PolarHBondContact O-N 2.91Å; C764-T767 PolarHBondContact O-N 3.2Å; C764-I768 WeakPolarHBondContact O-CG1 3.43Å; C764-I768 PolarHBondContact O-N 2.8Å; C764-I768 VanDerWaalsContact O-N 3.09Å
765	E	53.8	Low	62.5	Low	126 Å²	126	94.5 Å²	94.5	59%	0.589	47%	0.466	S	S	*	.	H	α-helix	trans	-60.3	-43.6	176.4	-73.9	173.4	-177.8	0	0	112.1	K761 T767 I768 I769	K761-E765 WeakPolarHBondContact O-CG 3.25Å; K761-E765 PolarHBondContact O-N 3.49Å; E765-T767 VanDerWaalsContact C-N 3.32Å; E765-T767 PolarHBondContact O-N 3.15Å; E765-I768 PolarHBondContact O-N 3.04Å; E765-I769 VanDerWaalsContact O-CG1 3.32Å; E765-I769 WeakPolarHBondContact O-CG1 3.42Å; E765-I769 PolarHBondContact O-N 2.88Å; E765-I769 VanDerWaalsContact O-N 3.13Å
766	R	55.7	Low	59.9	Low	170 Å²	170	95.5 Å²	95.5	64%	0.642	48%	0.481	S	S	*	.	H	α-helix	trans	-62.4	-37.8	175.2	-74.8	175.7	-176.6	157.7	1.4	112.7	S762 E763 C764 I769 V770	S762-R766 WeakPolarHBondContact O-CG 3.27Å; S762-R766 PolarHBondContact O-N 3.3Å; E763-R766 PolarHBondContact O-N 3.09Å; C764-R766 PolarHBondContact O-N 2.91Å; R766-I769 PolarHBondContact O-N 2.78Å; R766-V770 WeakPolarHBondContact O-CG2 3.18Å; R766-V770 PolarHBondContact O-N 3.25Å
767	T	56	Low	57	Low	81 Å²	81	100.5 Å²	100.5	50%	0.497	51%	0.514	S	S	.	.	H	α-helix	trans	-66.4	-41.4	179.9	-54.7	0	0	0	0	111	E763 C764 E765 V770 N771	E763-T767 PolarHBondContact O-N 3.5Å; E763-T767 PolarHBondContact O-OG1 3Å; C764-T767 PolarHBondContact O-N 3.2Å; E765-T767 VanDerWaalsContact C-N 3.32Å; E765-T767 PolarHBondContact O-N 3.15Å; T767-V770 PolarHBondContact O-N 2.95Å; T767-N771 PolarHBondContact O-N 2.74Å; T767-N771 VanDerWaalsContact O-N 3.08Å
768	I	52.4	Low	54.4	Low	95 Å²	95	106 Å²	106	49%	0.487	54%	0.536	S	S	.	.	H	α-helix	trans	-60	-47.1	174.1	-64	165.2	0	0	0	110.2	C764 E765 V770 N771 C772	C764-I768 WeakPolarHBondContact O-CG1 3.43Å; C764-I768 PolarHBondContact O-N 2.8Å; C764-I768 VanDerWaalsContact O-N 3.09Å; E765-I768 PolarHBondContact O-N 3.04Å; I768-V770 VanDerWaalsContact C-N 3.33Å; I768-V770 PolarHBondContact O-N 3.24Å; I768-N771 PolarHBondContact O-N 3.25Å; I768-C772 PolarHBondContact O-N 3.06Å
769	I	52.2	Low	51.6	Low	85 Å²	85	106.8 Å²	106.8	44%	0.436	55%	0.55	S	S	.	.	H	α-helix	trans	-62.2	-37.8	-180	-64.2	164.5	0	0	0	112.1	E765 R766 K773	E765-I769 VanDerWaalsContact O-CG1 3.32Å; E765-I769 WeakPolarHBondContact O-CG1 3.42Å; E765-I769 PolarHBondContact O-N 2.88Å; E765-I769 VanDerWaalsContact O-N 3.13Å; R766-I769 PolarHBondContact O-N 2.78Å; I769-K773 HydrophobicContact CG2-CD 4.43Å; I769-K773 WeakPolarHBondContact O-CG 3.49Å; I769-K773 PolarHBondContact O-N 3.06Å
770	V	52.2	Low	49.3	Very low	49 Å²	49	109.9 Å²	109.9	30%	0.297	57%	0.569	S	S	.	*	H	α-helix	trans	-70.1	-35.3	177.9	171.8	0	0	0	0	111.7	R766 T767 I768 R774	R766-V770 WeakPolarHBondContact O-CG2 3.18Å; R766-V770 PolarHBondContact O-N 3.25Å; T767-V770 PolarHBondContact O-N 2.95Å; I768-V770 VanDerWaalsContact C-N 3.33Å; I768-V770 PolarHBondContact O-N 3.24Å; V770-R774 PolarHBondContact O-N 3.15Å
771	N	42.6	Very low	47	Very low	101 Å²	101	109.7 Å²	109.7	54%	0.54	58%	0.583	S	S	.	*	H	α-helix	trans	-73.8	-41.8	178.1	-75	-6.3	0	0	0	112	T767 I768 K773 R774	T767-N771 PolarHBondContact O-N 2.74Å; T767-N771 VanDerWaalsContact O-N 3.08Å; I768-N771 PolarHBondContact O-N 3.25Å; N771-K773 VanDerWaalsContact C-N 3.25Å; N771-K773 PolarHBondContact O-N 2.86Å; N771-R774 PolarHBondContact O-N 3.16Å
772	C	40.6	Very low	44.9	Very low	52 Å²	52	111 Å²	111	35%	0.351	60%	0.596	S	S	.	*	H	α-helix	trans	-62.1	-29.9	172.5	-71.1	0	0	0	0	112.9	I768 R774 S775	I768-C772 PolarHBondContact O-N 3.06Å; C772-R774 VanDerWaalsContact C-N 3.33Å; C772-S775 PolarHBondContact O-OG 3.35Å; C772-S775 VanDerWaalsContact O-OG 3.06Å
773	K	43.1	Very low	43.1	Very low	176 Å²	176	112.3 Å²	112.3	77%	0.765	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-12.5	175.2	-74.9	-176	177.9	-174.2	0	114.2	I769 N771	I769-K773 HydrophobicContact CG2-CD 4.43Å; I769-K773 WeakPolarHBondContact O-CG 3.49Å; I769-K773 PolarHBondContact O-N 3.06Å; N771-K773 VanDerWaalsContact C-N 3.25Å; N771-K773 PolarHBondContact O-N 2.86Å
774	R	41	Very low	41.1	Very low	166 Å²	166	115.2 Å²	115.2	63%	0.626	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	-4.1	-178.2	-85.7	-178.6	172.3	-176.4	-4	113.9	V770 N771 C772 P776	V770-R774 PolarHBondContact O-N 3.15Å; N771-R774 PolarHBondContact O-N 3.16Å; C772-R774 VanDerWaalsContact C-N 3.33Å; R774-P776 WeakPolarHBondContact O-CD 3.48Å
775	S	30.4	Very low	39.7	Very low	75 Å²	75	119.8 Å²	119.8	52%	0.524	66%	0.658	S	S	.	*	S	Bend	trans	-79.7	116.3	169.3	49	0	0	0	0	110.7	C772 T777	C772-S775 PolarHBondContact O-OG 3.35Å; C772-S775 VanDerWaalsContact O-OG 3.06Å; S775-T777 PolarHBondContact O-N 3.28Å
776	P	36.7	Very low	38.5	Very low	121 Å²	121	118.6 Å²	118.6	79%	0.786	66%	0.663	S	S	*	*			trans	-76.1	113.1	177	29.5	-29.5	0	0	0	109.7	R774 K778	R774-P776 WeakPolarHBondContact O-CD 3.48Å; P776-K778 PolarHBondContact O-N 2.79Å; P776-K778 VanDerWaalsContact O-N 3.07Å
777	T	31	Very low	37.2	Very low	131 Å²	131	117.1 Å²	117.1	80%	0.804	67%	0.667	S	S	*	*			trans	-64.7	102.6	170.1	49.5	0	0	0	0	109.8	S775	S775-T777 PolarHBondContact O-N 3.28Å
778	K	34	Very low	36.2	Very low	199 Å²	199	120.6 Å²	120.6	87%	0.865	68%	0.681	S	S	*	*			trans	-100.8	102	161.1	-88.7	-172.4	176.4	-178.2	0	109.1	P776	P776-K778 PolarHBondContact O-N 2.79Å; P776-K778 VanDerWaalsContact O-N 3.07Å
779	T	27.5	Very low	35.2	Very low	134 Å²	134	123.3 Å²	123.3	82%	0.822	70%	0.696	S	S	*	*			trans	-68.9	118.8	168.7	-46.9	0	0	0	0	109.3
780	T	33.6	Very low	34.1	Very low	136 Å²	136	122.5 Å²	122.5	83%	0.834	71%	0.709	S	S	*	*			trans	-153.9	133.4	154.9	-26.4	0	0	0	0	110.4
781	A	31.4	Very low	33	Very low	80 Å²	80	127.1 Å²	127.1	66%	0.661	73%	0.732	S	S	*	*			trans	-69.6	155.4	-176.5	0	0	0	0	0	112.5
782	N	31.2	Very low	32.2	Very low	162 Å²	162	133.2 Å²	133.2	87%	0.866	75%	0.747	S	S	*	*			trans	83.3	106.3	166.3	-56.3	-15.6	0	0	0	117.5
783	G	29	Very low	31.6	Very low	67 Å²	67	137.3 Å²	137.3	69%	0.691	78%	0.775	S	S	*	*				85.2	106	126.5	0	0	0	0	0	118.4
784	T	28.2	Very low	30.8	Very low	144 Å²	144	135.4 Å²	135.4	88%	0.883	78%	0.778	S	S	*	*			trans	72.6	104.4	149.8	-4.7	0	0	0	0	117.2
785	I	30.2	Very low	30.1	Very low	165 Å²	165	136 Å²	136	85%	0.846	79%	0.789	S	S	*	*			trans	-108.1	108.3	165.5	-62.8	175.6	0	0	0	108.3
786	S	30	Very low	30.2	Very low	101 Å²	101	138.2 Å²	138.2	71%	0.706	80%	0.802	S	S	*	*			trans	-85.4	129	162.8	43.5	0	0	0	0	109.4
787	I	28.4	Very low	29.8	Very low	140 Å²	140	137.2 Å²	137.2	72%	0.718	80%	0.798	S	S	*	*			trans	-84.8	115.2	175.5	-60.5	169.5	0	0	0	107.5
788	I	34.8	Very low	29.7	Very low	154 Å²	154	135.9 Å²	135.9	79%	0.79	79%	0.794	S	S	*	*			trans	-112.3	112.5	166.4	-61	178.3	0	0	0	107.9
789	N	31.1	Very low	29.5	Very low	152 Å²	152	137.6 Å²	137.6	81%	0.813	80%	0.795	S	S	*	*			trans	-69.9	138.1	163.7	-80.2	-28.1	0	0	0	109.7
790	G	29.2	Very low	29.5	Very low	67 Å²	67	137.6 Å²	137.6	69%	0.691	80%	0.795	S	S	*	*			trans	172.6	92.5	170	0	0	0	0	0	114.1
791	D	28.2	Very low	29.4	Very low	147 Å²	147	136.1 Å²	136.1	79%	0.786	79%	0.786	S	S	*	*			trans	58.5	130.6	138.9	-74.9	-4.1	0	0	0	123
792	R	27.2	Very low	29.1	Very low	229 Å²	229	140.5 Å²	140.5	86%	0.864	79%	0.792	S	S	*	*			trans	68.9	101.9	156.6	-62.1	178.1	-153.8	-151.9	6	116.6
793	C	26.4	Very low	29.1	Very low	137 Å²	137	139 Å²	139	93%	0.926	78%	0.778	S	S	*	*			trans	-136.4	123.2	145.2	-93	0	0	0	0	111.4
794	V	27.7	Very low	29	Very low	137 Å²	137	141.6 Å²	141.6	83%	0.83	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-53.4	138.6	171	172.8	0	0	0	0	110.3	P796	V794-P796 WeakPolarHBondContact O-CD 3.4Å
795	M	26.8	Very low	29.3	Very low	177 Å²	177	140.6 Å²	140.6	87%	0.872	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-56.4	129.4	172.1	-72.4	-78.2	-158.6	0	0	111
796	P	31.6	Very low	29.3	Very low	122 Å²	122	139.8 Å²	139.8	79%	0.792	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-90.3	122.6	154.1	28.4	-17.7	0	0	0	109.2	V794	V794-P796 WeakPolarHBondContact O-CD 3.4Å
797	S	28.4	Very low	29.3	Very low	101 Å²	101	143.8 Å²	143.8	71%	0.706	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-55.3	149.1	166.5	53.2	0	0	0	0	112.3
798	S	29.8	Very low	29.6	Very low	102 Å²	102	144 Å²	144	71%	0.713	77%	0.772	S	S	*	*			trans	48.3	96	149	60.7	0	0	0	0	117.9
799	R	29	Very low	29.5	Very low	235 Å²	235	146.5 Å²	146.5	89%	0.887	80%	0.796	S	S	*	*			trans	-129.4	94.7	145.6	-83.2	-171.5	176.7	-179.8	-0.6	110	T801	R799-T801 PolarHBondContact O-N 3.07Å
800	V	27.9	Very low	29.4	Very low	135 Å²	135	146.3 Å²	146.3	82%	0.818	80%	0.795	S	S	*	*			trans	-57.4	115.6	156.8	177.1	0	0	0	0	106.3
801	T	29.9	Very low	29.4	Very low	104 Å²	104	150.4 Å²	150.4	64%	0.638	80%	0.8	S	S	*	*			trans	-110.2	101	165.6	38	0	0	0	0	107.1	R799 K803	R799-T801 PolarHBondContact O-N 3.07Å; T801-K803 PolarHBondContact O-N 3.43Å
802	E	25.6	Very low	29.5	Very low	172 Å²	172	150.6 Å²	150.6	80%	0.804	80%	0.801	S	S	*	*			trans	-53.9	121.8	163.1	-75.5	178.4	145.1	0	0	108.7
803	K	31.6	Very low	29.6	Very low	131 Å²	131	146 Å²	146	57%	0.57	80%	0.797	S	S	*	*			trans	-110.2	95.1	160.7	-94.6	-176.4	174.3	179.9	0	107.6	T801 I805	T801-K803 PolarHBondContact O-N 3.43Å; K803-I805 PolarHBondContact O-N 3.31Å
804	V	26.8	Very low	29.8	Very low	122 Å²	122	146.6 Å²	146.6	74%	0.739	79%	0.789	S	S	*	*			trans	-58.4	115.4	159	177.4	0	0	0	0	107.3	L806	V804-L806 HydrophobicContact CG1-CG 4.47Å
805	I	35.7	Very low	30	Very low	122 Å²	122	147.2 Å²	147.2	63%	0.626	79%	0.786	S	S	*	*			trans	-104.6	100.3	167.4	-59.8	177.6	0	0	0	106.4	K803 F807	K803-I805 PolarHBondContact O-N 3.31Å; I805-F807 HydrophobicContact CG2-CD2 4.03Å; I805-F807 HydrophobicContact CG2-CE2 3.82Å; I805-F807 HydrophobicContact CG2-CZ 4.34Å; I805-F807 PolarHBondContact O-N 3.38Å
806	L	28.5	Very low	30.2	Very low	149 Å²	149	145.1 Å²	145.1	78%	0.78	78%	0.78	S	S	*	*			trans	-65.9	111.8	162.4	-85.3	147.8	0	0	0	108.1	V804	V804-L806 HydrophobicContact CG1-CG 4.47Å
807	F	31	Very low	30.1	Very low	185 Å²	185	146.8 Å²	146.8	81%	0.811	78%	0.779	S	S	*	*			trans	-85.2	104.6	158.8	-79.5	-86.2	0	0	0	107.4	I805	I805-F807 HydrophobicContact CG2-CD2 4.03Å; I805-F807 HydrophobicContact CG2-CE2 3.82Å; I805-F807 HydrophobicContact CG2-CZ 4.34Å; I805-F807 PolarHBondContact O-N 3.38Å
808	N	35.2	Very low	30.2	Very low	143 Å²	143	150.7 Å²	150.7	77%	0.765	79%	0.786	S	S	*	*			trans	-76.5	125.7	157	-97	-4.1	0	0	0	107.6
809	T	31.9	Very low	30.3	Very low	208 Å²	208	155.1 Å²	155.1	100%	1.276	79%	0.792	S	S	*	*			trans	6.8	0	160.8	54.2	0	0	0	0	118.7

Retrieved 809 of 809 residues in 233.7 ms (Link to these results)

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