A0A093GXJ8_STRCA Loading...

2-oxoglutarate dehydrogenase-like, mitochondrial

2-oxoglutarate dehydrogenase (E1-like) component of the 2-oxoglutarate dehydrogenase multienzyme complex (OGDHC) which mediates the decarboxylation of alpha-ketoglutarate in the tricarboxylic acid cycle. The OGDHC complex catalyzes the overall conversion of 2-oxoglutarate to succinyl-CoA and CO(2) while reducing NAD(+) to NADH. The OGDHC complex is mainly active in the mitochondrion. Involved in the inhibition of cell proliferation and in apoptosis.

AlphaFold DB , UniProt , Accession A0A093GXJ8, Species STRCA (Struthio camelus australis), Gene n/a, Length 1,014 aa.

						>A0A093GXJ8_STRCA|A0A093GXJ8
MSHLKLFAATLKCHGIKLLEKHDIARKVFLHGQRYVSSGISEPFLSGSNSNYVEEMYYAWLENPKSVHKSWDLFFRNANAGQAYDPHLPDQLERKASFLQSHGLAQTPGKAEKLVEDHLAVQSLIRAYQIRGHHVAQLDPLGILDADLDSFVPSDLITTIDKLGFYGLHESDLDKVFQLPTTTFIGGSETSLSLREIIRRLENTYCQHIGLEFMFINDVEQCQWIRQKFETPGVMKFTNEEKRTLLARLVRSMRFEDFLARKWSSEKRFGLEGCEVMIPALKTIIDKSSEMGIEYVIMGMPHRGRLNVLANVIRKELEQIFCQFDPKLEAADEGSGDVKYHLGMYHERINRATNKKITLSLMANPSHLEAVDPVVQGKTKAEQFYRGDMAGKKVMSILLHGDAAFAGQGVVYETFHLSDLPSYTTNGTIHVVVNNQIGFTTDPRMARSSPYPTDVARVVNAPIFHVNADDPEAVMYVCSVAAEWRNTFNKDVVVDLVCYRRRGHNEMDEPMFTQPLMYKQIHKQVPVLKKYADKLIADGTVTLQEFEEEIAKYDRICEEAYTRSKDNKILHIKHWLDSPWPGFFNVDGEPKSMSCPPTGISEDLLTHIGNVASSVPVKDFKIHAGLSRILRARLEMTKNRVVDWALAEYMAFGSFLKEGIHVRLSGQDVERGTFSHRHHVLHDQEVDKRTCVPMNHLWEQQAPYTVCNSSLSEYGVLGFELGFAMASPNALVCWEAQFGDFHNTAQCIIDQFISSGQAKWVRHNGIVLLLPHGMEGMGPEHSSARPERFLQMSNDDSDAYPEFSEQFEVSQLYECNWIVVNCSTPANYFHALRRQILLPFRKPLIILTPKSLLRHPEAKSSFDEMVSGTTFQRVIPENGLAAHVPHEVRRVIFCTGKVYYDLVKERKNQDLEKQVAITRLEQISPFPFDLLKEELEKYPGADLVWCQEEHKNSGYYDYVKPRFRTIVNHTRPIWYVGREPAAAAATGNKNTHLVSLRRFLDTAFNLEAFEGKTF
					

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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	29.5	Very low	24.3	Very low	247 Å²	247	155.3 Å²	155.3	100%	1.217	84%	0.844	S	S	*	*				0	111.6	0	-75.8	-176.7	-177.7	0	0	108.8	H3	M1-H3 PolarHBondContact O-N 3.4Å
2	S	22.9	Very low	24.2	Very low	114 Å²	114	156.3 Å²	156.3	80%	0.797	84%	0.835	S	S	*	*			trans	-80.2	106.2	163.2	59.6	0	0	0	0	107.8
3	H	21.5	Very low	24.3	Very low	176 Å²	176	152.1 Å²	152.1	82%	0.815	82%	0.823	S	S	*	*			trans	-162.7	135.3	152.9	-102.9	-56.7	0	0	0	109.2	M1	M1-H3 PolarHBondContact O-N 3.4Å
4	L	25.1	Very low	24.4	Very low	157 Å²	157	153.4 Å²	153.4	82%	0.822	82%	0.82	S	S	*	*			trans	82.2	83.6	169.3	-73.1	87.4	0	0	0	118.7
5	K	24.2	Very low	24.4	Very low	206 Å²	206	146.9 Å²	146.9	90%	0.896	81%	0.805	S	S	*	*			trans	-91.9	113.2	135.3	-77.9	179.2	174.5	177.9	0	108.5
6	L	24.9	Very low	24.5	Very low	152 Å²	152	146.7 Å²	146.7	80%	0.796	80%	0.8	S	S	*	*			trans	177.6	148.7	138.4	-126.7	77.8	0	0	0	109.4
7	F	23.4	Very low	24.5	Very low	209 Å²	209	148.6 Å²	148.6	92%	0.917	80%	0.799	S	S	*	*			trans	82	112.6	-166.1	-69.8	-92.5	0	0	0	112.8
8	A	24.3	Very low	24.6	Very low	99 Å²	99	148.6 Å²	148.6	82%	0.818	80%	0.798	S	S	*	*			cis	-151.1	139.1	21	0	0	0	0	0	111.2
9	A	22.6	Very low	24.6	Very low	92 Å²	92	149.7 Å²	149.7	76%	0.76	80%	0.803	S	S	*	*			trans	-114.7	113.5	155.7	0	0	0	0	0	106.5
10	T	24.9	Very low	24.7	Very low	121 Å²	121	150.2 Å²	150.2	74%	0.742	80%	0.8	S	S	*	*				178.5	123.2	128.8	17.2	0	0	0	0	111.6
11	L	23.9	Very low	24.7	Very low	135 Å²	135	150.6 Å²	150.6	71%	0.707	80%	0.795	S	S	*	*			trans	63.5	136.4	131.1	-59.3	160	0	0	0	117.6
12	K	23.1	Very low	24.5	Very low	168 Å²	168	146.8 Å²	146.8	73%	0.73	77%	0.773	S	S	*	*			cis	-174.2	140.1	15.5	-129.9	166.7	179	173.6	0	108.3
13	C	25.3	Very low	24.7	Very low	101 Å²	101	148 Å²	148	68%	0.682	77%	0.771	S	S	*	*			trans	49.9	143.4	132.2	-69.2	0	0	0	0	120.9
14	H	25.9	Very low	24.8	Very low	170 Å²	170	147.1 Å²	147.1	79%	0.787	77%	0.771	S	S	*	*			cis	-168.1	166.2	14.3	-106.8	38.8	0	0	0	104.8
15	G	24.7	Very low	24.7	Very low	57 Å²	57	143.4 Å²	143.4	59%	0.588	76%	0.762	S	S	*	*			cis	-175.4	158.7	11.8	0	0	0	0	0	109.9
16	I	26.1	Very low	24.7	Very low	143 Å²	143	145.8 Å²	145.8	73%	0.733	77%	0.766	S	S	*	*				76.6	126.8	114.7	-66.2	168.9	0	0	0	112.8
17	K	24.6	Very low	24.7	Very low	179 Å²	179	147.6 Å²	147.6	78%	0.778	77%	0.767	S	S	*	*			cis	-166.8	149.2	22.9	-113.6	159.8	-171.7	179.3	0	104.9
18	L	25.2	Very low	24.8	Very low	149 Å²	149	143.1 Å²	143.1	78%	0.78	76%	0.757	S	S	*	*				168.3	135.1	86.2	-112.5	125.9	0	0	0	106.5
19	L	25.7	Very low	24.8	Very low	170 Å²	170	148.3 Å²	148.3	89%	0.89	76%	0.762	S	S	*	*				168.9	102.8	129.3	-89.2	159.5	0	0	0	109.8
20	E	25.6	Very low	25	Very low	158 Å²	158	150.7 Å²	150.7	74%	0.738	76%	0.761	S	S	*	*			trans	-91.7	141	160	-93.6	-169.2	123.7	0	0	109.9
21	K	25.3	Very low	25	Very low	159 Å²	159	154.6 Å²	154.6	69%	0.691	77%	0.77	S	S	*	*			trans	35.9	125.2	138.4	-59.3	174.6	177	161.5	0	119.9
22	H	24.6	Very low	24.9	Very low	167 Å²	167	151.4 Å²	151.4	77%	0.773	77%	0.77	S	S	*	*				176.9	147.9	90	-109.4	-76	0	0	0	111.6
23	D	27.3	Very low	25	Very low	140 Å²	140	153.3 Å²	153.3	75%	0.749	78%	0.781	S	S	*	*			trans	-40.5	154.2	162.4	-81.2	-55.6	0	0	0	114.7
24	I	23.6	Very low	25	Very low	158 Å²	158	159.3 Å²	159.3	81%	0.81	79%	0.789	S	S	*	*				167	133.1	116.6	-83.2	158.4	0	0	0	111.5
25	A	23.5	Very low	24.9	Very low	78 Å²	78	162.5 Å²	162.5	65%	0.645	80%	0.796	S	S	*	*			trans	63	119.8	150.1	0	0	0	0	0	121.2
26	R	24.6	Very low	25.2	Very low	257 Å²	257	166.2 Å²	166.2	97%	0.97	81%	0.808	S	S	*	*			trans	-104.6	102	135.6	-89.2	-177.5	171.9	-179.9	-1.7	109.5
27	K	24.8	Very low	25.3	Very low	189 Å²	189	163.9 Å²	163.9	82%	0.822	80%	0.804	S	S	*	*			trans	-83.1	131.5	161.5	-100.9	178.9	175.2	176.2	0	108.9
28	V	24.3	Very low	25.6	Very low	116 Å²	116	160.5 Å²	160.5	70%	0.703	80%	0.802	S	S	*	*			trans	-68.9	141.9	165.4	171.4	0	0	0	0	109.8	L30	V28-L30 HydrophobicContact CG1-CG 4.34Å
29	F	24.4	Very low	26.2	Very low	208 Å²	208	157.5 Å²	157.5	91%	0.912	81%	0.808	S	S	*	*			trans	-135	123.6	152.9	-113.5	-86.1	0	0	0	109.7
30	L	26.7	Very low	26.4	Very low	142 Å²	142	155.9 Å²	155.9	74%	0.743	80%	0.798	S	S	*	*			trans	-83.5	149.6	178.8	-81.7	142	0	0	0	111.7	V28	V28-L30 HydrophobicContact CG1-CG 4.34Å
31	H	25	Very low	26.9	Very low	203 Å²	203	152.5 Å²	152.5	94%	0.94	79%	0.793	S	S	*	*			trans	-176.5	129.4	140.2	-100.8	65.6	0	0	0	105.8
32	G	22.9	Very low	27.4	Very low	68 Å²	68	152.6 Å²	152.6	70%	0.701	80%	0.795	S	S	*	*			cis	152.1	119.6	0.7	0	0	0	0	0	107.5
33	Q	24.4	Very low	28.4	Very low	208 Å²	208	150.2 Å²	150.2	97%	0.972	80%	0.795	S	S	*	*			trans	-167.6	144.3	147.3	-111.2	173.8	-2.9	0	0	112
34	R	24.7	Very low	29.4	Very low	226 Å²	226	146.4 Å²	146.4	85%	0.853	77%	0.772	S	S	*	*			trans	-75.8	142.3	-160.4	-67.3	167.1	169.3	166.8	-4.8	113.4
35	Y	25.7	Very low	30.5	Very low	237 Å²	237	146 Å²	146	93%	0.929	77%	0.77	S	S	*	*			trans	-131.2	120.6	137.1	-93.9	-86.6	0	0	0	109.2
36	V	31	Very low	31.6	Very low	136 Å²	136	145.4 Å²	145.4	82%	0.824	76%	0.762	S	S	*	*			trans	-80	117.4	164.5	173.6	0	0	0	0	105.6
37	S	28.2	Very low	32.7	Very low	93 Å²	93	137.1 Å²	137.1	65%	0.65	76%	0.756	S	S	*	*			trans	-134.9	135	158.5	86.9	0	0	0	0	109.9
38	S	31.1	Very low	33.8	Very low	108 Å²	108	133 Å²	133	76%	0.755	75%	0.751	S	S	*	*			trans	-69.7	131.8	-178.1	45.9	0	0	0	0	111.6
39	G	37	Very low	35.2	Very low	86 Å²	86	130.8 Å²	130.8	89%	0.887	74%	0.735	S	S	*	*			trans	28.3	92.1	158.8	0	0	0	0	0	117.7
40	I	30	Very low	37	Very low	136 Å²	136	124.5 Å²	124.5	70%	0.697	72%	0.717	S	S	*	*			trans	-122.3	126.8	168	-60.8	176.2	0	0	0	108.2
41	S	36.3	Very low	38.8	Very low	88 Å²	88	123.6 Å²	123.6	62%	0.615	71%	0.713	S	S	*	*			trans	-66.8	122.7	167.8	50.8	0	0	0	0	110.1
42	E	36.2	Very low	41.3	Very low	160 Å²	160	119 Å²	119	75%	0.748	69%	0.688	S	S	*	*			trans	-79.1	125.9	177.3	-70.3	-172.3	165.5	0	0	111.8	F44	E42-F44 PolarHBondContact O-N 3.4Å
43	P	44.3	Very low	44	Very low	118 Å²	118	117.2 Å²	117.2	77%	0.766	66%	0.664	S	S	*	*			trans	-87.4	101.6	174.2	30.6	-25	0	0	0	110.1
44	F	49	Very low	46.6	Very low	59 Å²	59	111.8 Å²	111.8	26%	0.259	64%	0.638	S	S	.	*			trans	-85.6	-5	-169.9	-141.9	-85.4	0	0	0	115.3	E42 N49 Y52 V53 W71	E42-F44 PolarHBondContact O-N 3.4Å; F44-N49 HydrophobicContact CE1-CB 4.25Å; F44-Y52 AromaticContact CE1-CD1 3.4Å; F44-Y52 HydrophobicContact CE1-CD1 3.4Å; F44-Y52 AromaticContact CE1-CE1 3.85Å; F44-Y52 HydrophobicContact CE1-CE1 3.85Å; F44-Y52 HydrophobicContact CE1-CG 4.4Å; F44-Y52 HydrophobicContact CE2-CD1 4.45Å; F44-Y52 HydrophobicContact CE2-CE1 4.2Å; F44-Y52 AromaticContact CZ-CD1 3.23Å; F44-Y52 HydrophobicContact CZ-CD1 3.23Å; F44-Y52 AromaticContact CZ-CE1 3.32Å; F44-Y52 HydrophobicContact CZ-CE1 3.32Å; F44-Y52 HydrophobicContact CZ-CG 4.18Å; F44-V53 HydrophobicContact CD1-CG2 4.01Å; F44-V53 HydrophobicContact CE1-CG2 3.97Å; F44-W71 AromaticContact CD1-CH2 3.5Å; F44-W71 HydrophobicContact CD1-CH2 3.5Å; F44-W71 VanDerWaalsContact CD1-CH2 3.5Å; F44-W71 AromaticContact CD1-CZ2 3.54Å; F44-W71 HydrophobicContact CD1-CZ2 3.54Å; F44-W71 HydrophobicContact CD2-CZ2 4.35Å; F44-W71 AromaticContact CE1-CH2 3.87Å; F44-W71 HydrophobicContact CE1-CH2 3.87Å; F44-W71 AromaticContact CE1-CZ2 3.64Å; F44-W71 HydrophobicContact CE1-CZ2 3.64Å; F44-W71 HydrophobicContact CE2-CZ2 4.41Å; F44-W71 HydrophobicContact CG-CH2 4.13Å; F44-W71 AromaticContact CG-CZ2 3.94Å; F44-W71 HydrophobicContact CG-CZ2 3.94Å; F44-W71 HydrophobicContact CZ-CZ2 4.09Å
45	L	47.4	Very low	49.4	Very low	150 Å²	150	107 Å²	107	79%	0.785	63%	0.626	S	S	*	*			trans	-104.1	52.3	-177.1	-73.1	165.6	0	0	0	112.3
46	S	45.1	Very low	52.4	Low	66 Å²	66	97.5 Å²	97.5	46%	0.462	59%	0.59	S	S	.	*	S	Bend	trans	-99.9	141.4	159.8	71.6	0	0	0	0	109	S48 N49	S46-S48 PolarHBondContact O-N 3.12Å; S46-N49 PolarHBondContact O-N 3.06Å
47	G	48.9	Very low	54.8	Low	82 Å²	82	94.3 Å²	94.3	85%	0.845	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	2.1	-170.8	0	0	0	0	0	116.6
48	S	46.6	Very low	57.6	Low	103 Å²	103	95.9 Å²	95.9	72%	0.72	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-12	-178.9	-28.7	0	0	0	0	114.3	S46	S46-S48 PolarHBondContact O-N 3.12Å
49	N	54.9	Low	60.1	Low	69 Å²	69	92.1 Å²	92.1	37%	0.369	53%	0.531	S	S	.	.			trans	-114.5	19.6	-171	-77.7	-6.8	0	0	0	114.8	F44 S46 N51 Y52 V53	F44-N49 HydrophobicContact CE1-CB 4.25Å; S46-N49 PolarHBondContact O-N 3.06Å; N49-N51 VanDerWaalsContact C-N 3.32Å; N49-N51 PolarHBondContact O-N 2.89Å; N49-Y52 PolarHBondContact O-N 3.44Å; N49-Y52 VanDerWaalsContact O-N 3.11Å; N49-V53 PolarHBondContact O-N 3.09Å
50	S	61.3	Low	62.7	Low	77 Å²	77	89.2 Å²	89.2	54%	0.538	49%	0.494	S	S	.	.	H	α-helix	trans	-53.6	-43.3	-173.9	57.4	0	0	0	0	113.8	Y52 V53 E54	S50-Y52 VanDerWaalsContact C-N 3.31Å; S50-Y52 PolarHBondContact O-N 2.97Å; S50-V53 PolarHBondContact O-N 2.92Å; S50-E54 PolarHBondContact O-N 3.44Å
51	N	65.5	Low	65.4	Low	123 Å²	123	87.1 Å²	87.1	66%	0.658	48%	0.484	S	S	*	.	H	α-helix	trans	-64.8	-34.2	-178.2	-69.5	-2.1	0	0	0	112.8	N49 E55	N49-N51 VanDerWaalsContact C-N 3.32Å; N49-N51 PolarHBondContact O-N 2.89Å; N51-E55 WeakPolarHBondContact O-CB 3.24Å; N51-E55 PolarHBondContact O-N 3.14Å
52	Y	76.3	Confident	67.8	Low	107 Å²	107	91.4 Å²	91.4	42%	0.42	49%	0.494	S	S	.	.	H	α-helix	trans	-73.4	-38	179.2	-176.7	-90.3	0	0	0	111.7	F44 N49 S50 E54 E55 M56 W71	F44-Y52 AromaticContact CE1-CD1 3.4Å; F44-Y52 HydrophobicContact CE1-CD1 3.4Å; F44-Y52 AromaticContact CE1-CE1 3.85Å; F44-Y52 HydrophobicContact CE1-CE1 3.85Å; F44-Y52 HydrophobicContact CE1-CG 4.4Å; F44-Y52 HydrophobicContact CE2-CD1 4.45Å; F44-Y52 HydrophobicContact CE2-CE1 4.2Å; F44-Y52 AromaticContact CZ-CD1 3.23Å; F44-Y52 HydrophobicContact CZ-CD1 3.23Å; F44-Y52 AromaticContact CZ-CE1 3.32Å; F44-Y52 HydrophobicContact CZ-CE1 3.32Å; F44-Y52 HydrophobicContact CZ-CG 4.18Å; N49-Y52 PolarHBondContact O-N 3.44Å; N49-Y52 VanDerWaalsContact O-N 3.11Å; S50-Y52 VanDerWaalsContact C-N 3.31Å; S50-Y52 PolarHBondContact O-N 2.97Å; Y52-E54 VanDerWaalsContact C-N 3.31Å; Y52-E55 PolarHBondContact O-N 3.33Å; Y52-M56 HydrophobicContact CD1-CG 4.01Å; Y52-M56 HydrophobicContact CE1-CG 3.7Å; Y52-M56 HydrophobicContact CE1-SD 4.4Å; Y52-M56 WeakPolarHBondContact O-CB 3.44Å; Y52-M56 VanDerWaalsContact O-CG 3.28Å; Y52-M56 WeakPolarHBondContact O-CG 3.33Å; Y52-M56 PolarHBondContact O-N 3.37Å; Y52-W71 HydrophobicContact CE1-CZ2 4.25Å
53	V	80.8	Confident	70.1	Confident	30 Å²	30	87.8 Å²	87.8	18%	0.182	48%	0.479	C	S	.	.	H	α-helix	trans	-65.4	-39.5	175.2	-178.5	0	0	0	0	110.5	F44 N49 S50 M56 Y57 W71 F75	F44-V53 HydrophobicContact CD1-CG2 4.01Å; F44-V53 HydrophobicContact CE1-CG2 3.97Å; N49-V53 PolarHBondContact O-N 3.09Å; S50-V53 PolarHBondContact O-N 2.92Å; V53-M56 PolarHBondContact O-N 3.17Å; V53-Y57 WeakPolarHBondContact O-CB 3.49Å; V53-Y57 PolarHBondContact O-N 3.16Å; V53-W71 HydrophobicContact CG1-CH2 4.39Å; V53-W71 HydrophobicContact CG1-CZ3 4.09Å; V53-W71 HydrophobicContact CG2-CH2 3.94Å; V53-W71 HydrophobicContact CG2-CZ3 4.46Å; V53-F75 HydrophobicContact CG1-CE1 4.29Å; V53-F75 HydrophobicContact CG1-CZ 4.32Å
54	E	78.4	Confident	71.9	Confident	93 Å²	93	84.1 Å²	84.1	44%	0.435	46%	0.456	S	S	.	.	H	α-helix	trans	-64.5	-44.7	176.8	-141	-170.8	155.8	0	0	111.7	S50 Y52 M56 Y57 Y58	S50-E54 PolarHBondContact O-N 3.44Å; Y52-E54 VanDerWaalsContact C-N 3.31Å; E54-M56 PolarHBondContact O-N 3.01Å; E54-Y57 WeakPolarHBondContact O-CB 3.32Å; E54-Y57 PolarHBondContact O-N 3.48Å; E54-Y57 VanDerWaalsContact O-N 3.13Å; E54-Y58 HydrophobicContact CB-CE2 4.36Å; E54-Y58 HydrophobicContact CG-CD2 4.26Å; E54-Y58 HydrophobicContact CG-CE2 3.57Å; E54-Y58 WeakPolarHBondContact O-CD2 3.34Å; E54-Y58 PolarHBondContact O-N 3.29Å; E54-Y58 WeakPolarHBondContact OE1-CE2 3.5Å; E54-Y58 PolarHBondContact OE1-OH 3.46Å
55	E	83.5	Confident	73.6	Confident	127 Å²	127	90.4 Å²	90.4	59%	0.593	48%	0.483	S	S	*	.	H	α-helix	trans	-63.8	-40.4	177.5	-162.6	173.9	-165.1	0	0	112	N51 Y52 Y57 A59	N51-E55 WeakPolarHBondContact O-CB 3.24Å; N51-E55 PolarHBondContact O-N 3.14Å; Y52-E55 PolarHBondContact O-N 3.33Å; E55-Y57 VanDerWaalsContact C-N 3.33Å; E55-Y57 PolarHBondContact O-N 2.99Å; E55-A59 WeakPolarHBondContact O-CB 3.35Å; E55-A59 PolarHBondContact O-N 2.73Å
56	M	88.1	Confident	75.3	Confident	36 Å²	36	86.6 Å²	86.6	18%	0.177	47%	0.469	C	S	.	.	H	α-helix	trans	-66.1	-34.2	172.5	-68.8	-60	96.8	0	0	112.4	Y52 V53 E54 W60 V67 W71 F75	Y52-M56 HydrophobicContact CD1-CG 4.01Å; Y52-M56 HydrophobicContact CE1-CG 3.7Å; Y52-M56 HydrophobicContact CE1-SD 4.4Å; Y52-M56 WeakPolarHBondContact O-CB 3.44Å; Y52-M56 VanDerWaalsContact O-CG 3.28Å; Y52-M56 WeakPolarHBondContact O-CG 3.33Å; Y52-M56 PolarHBondContact O-N 3.37Å; V53-M56 PolarHBondContact O-N 3.17Å; E54-M56 PolarHBondContact O-N 3.01Å; M56-W60 VanDerWaalsContact O-CB 3.25Å; M56-W60 WeakPolarHBondContact O-CB 3.25Å; M56-W60 PolarHBondContact O-N 3.47Å; M56-V67 HydrophobicContact CB-CG1 4.49Å; M56-V67 WeakPolarHBondContact O-CG1 3.48Å; M56-V67 HydrophobicContact SD-CG1 4.02Å; M56-W71 HydrophobicContact CB-CD2 4.37Å; M56-F75 HydrophobicContact CB-CE2 4.08Å; M56-F75 HydrophobicContact CB-CZ 4.2Å
57	Y	82.4	Confident	77.2	Confident	69 Å²	69	84 Å²	84	27%	0.271	45%	0.45	S	S	.	.	H	α-helix	trans	-69.2	-44.2	177.2	-174.1	-121.5	0	0	0	111.9	V53 E54 E55 W60 L61 F75 N79	V53-Y57 WeakPolarHBondContact O-CB 3.49Å; V53-Y57 PolarHBondContact O-N 3.16Å; E54-Y57 WeakPolarHBondContact O-CB 3.32Å; E54-Y57 PolarHBondContact O-N 3.48Å; E54-Y57 VanDerWaalsContact O-N 3.13Å; E55-Y57 VanDerWaalsContact C-N 3.33Å; E55-Y57 PolarHBondContact O-N 2.99Å; Y57-W60 HydrophobicContact CD2-CE3 4.02Å; Y57-W60 AromaticContact CE2-CE3 3.81Å; Y57-W60 HydrophobicContact CE2-CE3 3.81Å; Y57-W60 AromaticContact CE2-CZ3 3.88Å; Y57-W60 HydrophobicContact CE2-CZ3 3.88Å; Y57-W60 PolarHBondContact O-N 3.37Å; Y57-L61 HydrophobicContact CD1-CD1 4.05Å; Y57-L61 HydrophobicContact CE1-CD1 3.69Å; Y57-L61 HydrophobicContact CE1-CG 4.29Å; Y57-L61 HydrophobicContact CE2-CD2 4.44Å; Y57-L61 HydrophobicContact CE2-CG 4.35Å; Y57-L61 WeakPolarHBondContact O-CG 3.43Å; Y57-L61 PolarHBondContact O-N 3.32Å; Y57-F75 HydrophobicContact CD2-CB 4.23Å; Y57-F75 AromaticContact CD2-CD1 3.38Å; Y57-F75 HydrophobicContact CD2-CD1 3.38Å; Y57-F75 HydrophobicContact CD2-CD2 4.14Å; Y57-F75 AromaticContact CD2-CE1 3.63Å; Y57-F75 HydrophobicContact CD2-CE1 3.63Å; Y57-F75 HydrophobicContact CD2-CE2 4.34Å; Y57-F75 AromaticContact CD2-CG 3.67Å; Y57-F75 HydrophobicContact CD2-CG 3.67Å; Y57-F75 HydrophobicContact CD2-CZ 4.11Å; Y57-F75 HydrophobicContact CE2-CB 4.33Å; Y57-F75 HydrophobicContact CE2-CD1 4.01Å; Y57-F75 HydrophobicContact CE2-CG 4.24Å; Y57-F75 HydrophobicContact CG-CD1 4.29Å; Y57-F75 HydrophobicContact CG-CE1 4.08Å; Y57-F75 HydrophobicContact CG-CZ 4.38Å; Y57-N79 PolarHBondContact OH-ND2 2.86Å
58	Y	85.8	Confident	78.9	Confident	127 Å²	127	86.6 Å²	86.6	50%	0.498	44%	0.44	S	S	.	.	H	α-helix	trans	-64	-43.2	175.8	-68.8	-58.3	0	0	0	112	E54 W60 L61 E62	E54-Y58 HydrophobicContact CB-CE2 4.36Å; E54-Y58 HydrophobicContact CG-CD2 4.26Å; E54-Y58 HydrophobicContact CG-CE2 3.57Å; E54-Y58 WeakPolarHBondContact O-CD2 3.34Å; E54-Y58 PolarHBondContact O-N 3.29Å; E54-Y58 WeakPolarHBondContact OE1-CE2 3.5Å; E54-Y58 PolarHBondContact OE1-OH 3.46Å; Y58-W60 VanDerWaalsContact C-N 3.28Å; Y58-W60 PolarHBondContact O-N 2.94Å; Y58-L61 HydrophobicContact CD1-CD1 4.4Å; Y58-L61 PolarHBondContact O-N 3.36Å; Y58-E62 PolarHBondContact O-N 3.14Å
59	A	84.9	Confident	80.3	Confident	28 Å²	28	89.1 Å²	89.1	23%	0.231	44%	0.438	C	S	.	.	H	α-helix	trans	-61.6	-37.1	175.2	0	0	0	0	0	112.4	E55 N63 S66 V67	E55-A59 WeakPolarHBondContact O-CB 3.35Å; E55-A59 PolarHBondContact O-N 2.73Å; A59-N63 PolarHBondContact O-N 3.15Å; A59-N63 VanDerWaalsContact O-N 3.12Å; A59-S66 VanDerWaalsContact C-OG 3.29Å; A59-S66 PolarHBondContact O-OG 2.97Å; A59-V67 HydrophobicContact CB-CG1 3.93Å
60	W	91.3	Very high	81.2	Confident	25 Å²	25	88.3 Å²	88.3	10%	0.095	44%	0.438	C	S	.	.	H	α-helix	trans	-68.6	-39	175.8	177.9	81.6	0	0	0	112.8	M56 Y57 Y58 E62 N63 P64 V67 D72 F75 R76	M56-W60 VanDerWaalsContact O-CB 3.25Å; M56-W60 WeakPolarHBondContact O-CB 3.25Å; M56-W60 PolarHBondContact O-N 3.47Å; Y57-W60 HydrophobicContact CD2-CE3 4.02Å; Y57-W60 AromaticContact CE2-CE3 3.81Å; Y57-W60 HydrophobicContact CE2-CE3 3.81Å; Y57-W60 AromaticContact CE2-CZ3 3.88Å; Y57-W60 HydrophobicContact CE2-CZ3 3.88Å; Y57-W60 PolarHBondContact O-N 3.37Å; Y58-W60 VanDerWaalsContact C-N 3.28Å; Y58-W60 PolarHBondContact O-N 2.94Å; W60-E62 VanDerWaalsContact C-N 3.32Å; W60-E62 PolarHBondContact O-N 2.83Å; W60-N63 CarbonylContact O-C 3.07Å; W60-N63 VanDerWaalsContact O-C 3.25Å; W60-N63 PolarHBondContact O-N 3.28Å; W60-P64 WeakPolarHBondContact O-CD 3.47Å; W60-V67 HydrophobicContact CB-CG1 4.19Å; W60-V67 HydrophobicContact CB-CG2 3.89Å; W60-V67 HydrophobicContact CG-CG2 4.13Å; W60-D72 PolarHBondContact NE1-OD1 3.22Å; W60-F75 HydrophobicContact CB-CD2 3.83Å; W60-F75 HydrophobicContact CB-CE2 4.24Å; W60-F75 HydrophobicContact CD2-CB 3.66Å; W60-F75 HydrophobicContact CD2-CD2 4.05Å; W60-F75 HydrophobicContact CD2-CG 4.23Å; W60-F75 HydrophobicContact CE3-CB 3.73Å; W60-F75 HydrophobicContact CE3-CD2 4.43Å; W60-F75 HydrophobicContact CE3-CG 4.3Å; W60-F75 HydrophobicContact CG-CB 4.23Å; W60-F75 AromaticContact CG-CD2 3.75Å; W60-F75 HydrophobicContact CG-CD2 3.75Å; W60-F75 HydrophobicContact CG-CG 4.41Å; W60-F75 HydrophobicContact CH2-CB 4.19Å; W60-F75 HydrophobicContact CZ2-CB 4.13Å; W60-F75 HydrophobicContact CZ3-CB 3.99Å; W60-R76 HydrophobicContact CH2-CG 4.45Å; W60-R76 HydrophobicContact CZ2-CG 3.63Å
61	L	86.3	Confident	82.2	Confident	93 Å²	93	86.1 Å²	86.1	49%	0.487	42%	0.418	S	S	.	.	H	α-helix	trans	-62.7	-37	175.9	-76	173.3	0	0	0	112.4	Y57 Y58	Y57-L61 HydrophobicContact CD1-CD1 4.05Å; Y57-L61 HydrophobicContact CE1-CD1 3.69Å; Y57-L61 HydrophobicContact CE1-CG 4.29Å; Y57-L61 HydrophobicContact CE2-CD2 4.44Å; Y57-L61 HydrophobicContact CE2-CG 4.35Å; Y57-L61 WeakPolarHBondContact O-CG 3.43Å; Y57-L61 PolarHBondContact O-N 3.32Å; Y58-L61 HydrophobicContact CD1-CD1 4.4Å; Y58-L61 PolarHBondContact O-N 3.36Å
62	E	86.1	Confident	83	Confident	178 Å²	178	81.6 Å²	81.6	83%	0.832	39%	0.394	S	S	*	.	H	α-helix	trans	-72.7	-42.9	176.1	-70.8	-172.9	167.9	0	0	112.4	Y58 W60	Y58-E62 PolarHBondContact O-N 3.14Å; W60-E62 VanDerWaalsContact C-N 3.32Å; W60-E62 PolarHBondContact O-N 2.83Å
63	N	84.4	Confident	83	Confident	83 Å²	83	79.9 Å²	79.9	44%	0.444	39%	0.391	S	S	.	.			trans	-156.2	113.4	174.5	179.1	-2.1	0	0	0	111	A59 W60 K65 S66	A59-N63 PolarHBondContact O-N 3.15Å; A59-N63 VanDerWaalsContact O-N 3.12Å; W60-N63 CarbonylContact O-C 3.07Å; W60-N63 VanDerWaalsContact O-C 3.25Å; W60-N63 PolarHBondContact O-N 3.28Å; N63-K65 PolarHBondContact O-N 3.04Å; N63-K65 PolarHBondContact OD1-N 3.28Å; N63-S66 VanDerWaalsContact O-CB 3.24Å; N63-S66 WeakPolarHBondContact O-CB 3.44Å; N63-S66 PolarHBondContact O-N 3.07Å; N63-S66 PolarHBondContact O-OG 3.08Å
64	P	83.5	Confident	82.8	Confident	42 Å²	42	81 Å²	81	27%	0.273	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-19	-178.2	-30.8	37.5	0	0	0	116	W60 D72	W60-P64 WeakPolarHBondContact O-CD 3.47Å; P64-D72 WeakPolarHBondContact CB-OD1 3.4Å
65	K	83.5	Confident	83.1	Confident	191 Å²	191	77 Å²	77	83%	0.83	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-5.1	176.8	-63.2	-176.6	179.6	178.4	0	113.9	N63 V67	N63-K65 PolarHBondContact O-N 3.04Å; N63-K65 PolarHBondContact OD1-N 3.28Å; K65-V67 VanDerWaalsContact C-N 3.31Å
66	S	84.2	Confident	82.9	Confident	69 Å²	69	77.5 Å²	77.5	48%	0.483	37%	0.372	S	S	.	.	S	Bend	trans	-75.8	-23.5	178.9	72.8	0	0	0	0	112.4	A59 N63	A59-S66 VanDerWaalsContact C-OG 3.29Å; A59-S66 PolarHBondContact O-OG 2.97Å; N63-S66 VanDerWaalsContact O-CB 3.24Å; N63-S66 WeakPolarHBondContact O-CB 3.44Å; N63-S66 PolarHBondContact O-N 3.07Å; N63-S66 PolarHBondContact O-OG 3.08Å
67	V	84.8	Confident	82	Confident	13 Å²	13	77.9 Å²	77.9	8%	0.079	37%	0.374	C	S	.	.	S	Bend	trans	-103.5	160.9	176.5	-60.3	0	0	0	0	111	M56 A59 W60 K65 W71	M56-V67 HydrophobicContact CB-CG1 4.49Å; M56-V67 WeakPolarHBondContact O-CG1 3.48Å; M56-V67 HydrophobicContact SD-CG1 4.02Å; A59-V67 HydrophobicContact CB-CG1 3.93Å; W60-V67 HydrophobicContact CB-CG1 4.19Å; W60-V67 HydrophobicContact CB-CG2 3.89Å; W60-V67 HydrophobicContact CG-CG2 4.13Å; K65-V67 VanDerWaalsContact C-N 3.31Å; V67-W71 HydrophobicContact CB-CB 3.99Å; V67-W71 HydrophobicContact CG2-CB 3.81Å
68	H	84.1	Confident	81.5	Confident	136 Å²	136	77.4 Å²	77.4	63%	0.63	38%	0.384	S	S	*	.			trans	-61	148.8	176.2	-171.4	-101.2	0	0	0	111.4	S70 W71 D72	H68-S70 PolarHBondContact ND1-N 2.77Å; H68-S70 PolarHBondContact ND1-OG 3.42Å; H68-S70 PolarHBondContact O-N 2.94Å; H68-W71 WeakPolarHBondContact O-CA 3.08Å; H68-W71 WeakPolarHBondContact O-CB 3.36Å; H68-W71 PolarHBondContact O-N 3.29Å; H68-D72 PolarHBondContact O-N 3.3Å
69	K	76.1	Confident	80.5	Confident	155 Å²	155	76.1 Å²	76.1	67%	0.674	39%	0.386	S	S	*	.	H	α-helix	trans	-56.5	-28.9	-173.3	-166.4	176.4	179.9	-176.2	0	114	D72 L73	K69-D72 PolarHBondContact O-N 3.03Å; K69-L73 HydrophobicContact CG-CD1 4.28Å; K69-L73 PolarHBondContact O-N 3.42Å
70	S	74.3	Confident	79.3	Confident	52 Å²	52	78.2 Å²	78.2	36%	0.364	40%	0.404	S	S	.	.	H	α-helix	trans	-65.5	-36.3	174.3	54.4	0	0	0	0	112.9	H68 F74	H68-S70 PolarHBondContact ND1-N 2.77Å; H68-S70 PolarHBondContact ND1-OG 3.42Å; H68-S70 PolarHBondContact O-N 2.94Å; S70-F74 VanDerWaalsContact O-CB 3.27Å; S70-F74 WeakPolarHBondContact O-CB 3.42Å; S70-F74 PolarHBondContact O-N 3.21Å
71	W	83.1	Confident	77.1	Confident	31 Å²	31	80.4 Å²	80.4	12%	0.117	43%	0.434	C	S	.	.	H	α-helix	trans	-73.1	-38.7	175	-74.1	112.6	0	0	0	111.8	F44 Y52 V53 M56 V67 H68 L73 F74 F75	F44-W71 AromaticContact CD1-CH2 3.5Å; F44-W71 HydrophobicContact CD1-CH2 3.5Å; F44-W71 VanDerWaalsContact CD1-CH2 3.5Å; F44-W71 AromaticContact CD1-CZ2 3.54Å; F44-W71 HydrophobicContact CD1-CZ2 3.54Å; F44-W71 HydrophobicContact CD2-CZ2 4.35Å; F44-W71 AromaticContact CE1-CH2 3.87Å; F44-W71 HydrophobicContact CE1-CH2 3.87Å; F44-W71 AromaticContact CE1-CZ2 3.64Å; F44-W71 HydrophobicContact CE1-CZ2 3.64Å; F44-W71 HydrophobicContact CE2-CZ2 4.41Å; F44-W71 HydrophobicContact CG-CH2 4.13Å; F44-W71 AromaticContact CG-CZ2 3.94Å; F44-W71 HydrophobicContact CG-CZ2 3.94Å; F44-W71 HydrophobicContact CZ-CZ2 4.09Å; Y52-W71 HydrophobicContact CE1-CZ2 4.25Å; V53-W71 HydrophobicContact CG1-CH2 4.39Å; V53-W71 HydrophobicContact CG1-CZ3 4.09Å; V53-W71 HydrophobicContact CG2-CH2 3.94Å; V53-W71 HydrophobicContact CG2-CZ3 4.46Å; M56-W71 HydrophobicContact CB-CD2 4.37Å; V67-W71 HydrophobicContact CB-CB 3.99Å; V67-W71 HydrophobicContact CG2-CB 3.81Å; H68-W71 WeakPolarHBondContact O-CA 3.08Å; H68-W71 WeakPolarHBondContact O-CB 3.36Å; H68-W71 PolarHBondContact O-N 3.29Å; W71-L73 PolarHBondContact O-N 3.13Å; W71-F74 AromaticContact CE3-CD1 3.83Å; W71-F74 HydrophobicContact CE3-CD1 3.83Å; W71-F74 HydrophobicContact CE3-CE1 4.46Å; W71-F74 HydrophobicContact CE3-CG 4.41Å; W71-F74 AromaticContact CZ3-CD1 3.8Å; W71-F74 HydrophobicContact CZ3-CD1 3.8Å; W71-F74 HydrophobicContact CZ3-CE1 4Å; W71-F74 HydrophobicContact CZ3-CG 4.49Å; W71-F74 PolarHBondContact O-N 3.06Å; W71-F75 HydrophobicContact CB-CD2 4.25Å; W71-F75 HydrophobicContact CB-CE2 4.03Å; W71-F75 HydrophobicContact CD2-CE2 4.23Å; W71-F75 HydrophobicContact CD2-CZ 4.44Å; W71-F75 HydrophobicContact CE3-CD2 4.38Å; W71-F75 HydrophobicContact CE3-CE1 4.2Å; W71-F75 AromaticContact CE3-CE2 3.58Å; W71-F75 HydrophobicContact CE3-CE2 3.58Å; W71-F75 AromaticContact CE3-CZ 3.47Å; W71-F75 HydrophobicContact CE3-CZ 3.47Å; W71-F75 VanDerWaalsContact CE3-CZ 3.47Å; W71-F75 HydrophobicContact CG-CE2 4.46Å; W71-F75 HydrophobicContact CZ3-CE1 4.34Å; W71-F75 HydrophobicContact CZ3-CE2 4.4Å; W71-F75 AromaticContact CZ3-CZ 3.84Å; W71-F75 HydrophobicContact CZ3-CZ 3.84Å; W71-F75 WeakPolarHBondContact O-CD2 3.31Å; W71-F75 WeakPolarHBondContact O-CG 3.49Å; W71-F75 PolarHBondContact O-N 3.49Å
72	D	81.1	Confident	75.3	Confident	29 Å²	29	82.6 Å²	82.6	16%	0.155	44%	0.441	C	S	.	.	H	α-helix	trans	-59.8	-45.3	173.4	178.7	40.9	0	0	0	111.7	W60 P64 H68 K69 R76	W60-D72 PolarHBondContact NE1-OD1 3.22Å; P64-D72 WeakPolarHBondContact CB-OD1 3.4Å; H68-D72 PolarHBondContact O-N 3.3Å; K69-D72 PolarHBondContact O-N 3.03Å; D72-R76 WeakPolarHBondContact O-CB 3.4Å; D72-R76 WeakPolarHBondContact O-CG 3.17Å; D72-R76 PolarHBondContact O-N 3.41Å; D72-R76 IonicContact OD1-CZ 3.51Å; D72-R76 IonicContact OD1-NE 3.52Å; D72-R76 PolarHBondContact OD1-NE 3.11Å; D72-R76 IonicContact OD1-NH2 3.59Å; D72-R76 IonicContact OD2-CZ 3.45Å; D72-R76 IonicContact OD2-NE 3.81Å; D72-R76 IonicContact OD2-NH2 3.96Å
73	L	76.2	Confident	73.2	Confident	71 Å²	71	79.3 Å²	79.3	37%	0.372	45%	0.445	S	S	.	.	H	α-helix	trans	-64.1	-44.8	174.4	-90.7	146.5	0	0	0	112.5	K69 W71 N77	K69-L73 HydrophobicContact CG-CD1 4.28Å; K69-L73 PolarHBondContact O-N 3.42Å; W71-L73 PolarHBondContact O-N 3.13Å; L73-N77 VanDerWaalsContact O-CB 3.32Å; L73-N77 WeakPolarHBondContact O-CB 3.4Å; L73-N77 PolarHBondContact O-N 3.09Å; L73-N77 PolarHBondContact O-ND2 3.09Å; L73-N77 VanDerWaalsContact O-ND2 3.11Å
74	F	77.3	Confident	71.2	Confident	53 Å²	53	80.5 Å²	80.5	23%	0.232	44%	0.444	C	S	.	.	H	α-helix	trans	-59.3	-50.6	178.3	176.8	-99.1	0	0	0	111.9	S70 W71 N77 A78	S70-F74 VanDerWaalsContact O-CB 3.27Å; S70-F74 WeakPolarHBondContact O-CB 3.42Å; S70-F74 PolarHBondContact O-N 3.21Å; W71-F74 AromaticContact CE3-CD1 3.83Å; W71-F74 HydrophobicContact CE3-CD1 3.83Å; W71-F74 HydrophobicContact CE3-CE1 4.46Å; W71-F74 HydrophobicContact CE3-CG 4.41Å; W71-F74 AromaticContact CZ3-CD1 3.8Å; W71-F74 HydrophobicContact CZ3-CD1 3.8Å; W71-F74 HydrophobicContact CZ3-CE1 4Å; W71-F74 HydrophobicContact CZ3-CG 4.49Å; W71-F74 PolarHBondContact O-N 3.06Å; F74-N77 PolarHBondContact O-N 3.27Å; F74-A78 VanDerWaalsContact O-CB 3.31Å; F74-A78 WeakPolarHBondContact O-CB 3.38Å; F74-A78 PolarHBondContact O-N 3.27Å
75	F	83.9	Confident	69.3	Low	10 Å²	10	84.3 Å²	84.3	4%	0.044	46%	0.462	C	S	.	.	H	α-helix	trans	-72.7	-32.2	-177.8	-64.8	-50.8	0	0	0	113.4	V53 M56 Y57 W60 W71 N79	V53-F75 HydrophobicContact CG1-CE1 4.29Å; V53-F75 HydrophobicContact CG1-CZ 4.32Å; M56-F75 HydrophobicContact CB-CE2 4.08Å; M56-F75 HydrophobicContact CB-CZ 4.2Å; Y57-F75 HydrophobicContact CD2-CB 4.23Å; Y57-F75 AromaticContact CD2-CD1 3.38Å; Y57-F75 HydrophobicContact CD2-CD1 3.38Å; Y57-F75 HydrophobicContact CD2-CD2 4.14Å; Y57-F75 AromaticContact CD2-CE1 3.63Å; Y57-F75 HydrophobicContact CD2-CE1 3.63Å; Y57-F75 HydrophobicContact CD2-CE2 4.34Å; Y57-F75 AromaticContact CD2-CG 3.67Å; Y57-F75 HydrophobicContact CD2-CG 3.67Å; Y57-F75 HydrophobicContact CD2-CZ 4.11Å; Y57-F75 HydrophobicContact CE2-CB 4.33Å; Y57-F75 HydrophobicContact CE2-CD1 4.01Å; Y57-F75 HydrophobicContact CE2-CG 4.24Å; Y57-F75 HydrophobicContact CG-CD1 4.29Å; Y57-F75 HydrophobicContact CG-CE1 4.08Å; Y57-F75 HydrophobicContact CG-CZ 4.38Å; W60-F75 HydrophobicContact CB-CD2 3.83Å; W60-F75 HydrophobicContact CB-CE2 4.24Å; W60-F75 HydrophobicContact CD2-CB 3.66Å; W60-F75 HydrophobicContact CD2-CD2 4.05Å; W60-F75 HydrophobicContact CD2-CG 4.23Å; W60-F75 HydrophobicContact CE3-CB 3.73Å; W60-F75 HydrophobicContact CE3-CD2 4.43Å; W60-F75 HydrophobicContact CE3-CG 4.3Å; W60-F75 HydrophobicContact CG-CB 4.23Å; W60-F75 AromaticContact CG-CD2 3.75Å; W60-F75 HydrophobicContact CG-CD2 3.75Å; W60-F75 HydrophobicContact CG-CG 4.41Å; W60-F75 HydrophobicContact CH2-CB 4.19Å; W60-F75 HydrophobicContact CZ2-CB 4.13Å; W60-F75 HydrophobicContact CZ3-CB 3.99Å; W71-F75 HydrophobicContact CB-CD2 4.25Å; W71-F75 HydrophobicContact CB-CE2 4.03Å; W71-F75 HydrophobicContact CD2-CE2 4.23Å; W71-F75 HydrophobicContact CD2-CZ 4.44Å; W71-F75 HydrophobicContact CE3-CD2 4.38Å; W71-F75 HydrophobicContact CE3-CE1 4.2Å; W71-F75 AromaticContact CE3-CE2 3.58Å; W71-F75 HydrophobicContact CE3-CE2 3.58Å; W71-F75 AromaticContact CE3-CZ 3.47Å; W71-F75 HydrophobicContact CE3-CZ 3.47Å; W71-F75 VanDerWaalsContact CE3-CZ 3.47Å; W71-F75 HydrophobicContact CG-CE2 4.46Å; W71-F75 HydrophobicContact CZ3-CE1 4.34Å; W71-F75 HydrophobicContact CZ3-CE2 4.4Å; W71-F75 AromaticContact CZ3-CZ 3.84Å; W71-F75 HydrophobicContact CZ3-CZ 3.84Å; W71-F75 WeakPolarHBondContact O-CD2 3.31Å; W71-F75 WeakPolarHBondContact O-CG 3.49Å; W71-F75 PolarHBondContact O-N 3.49Å; F75-N79 WeakPolarHBondContact O-CB 3.42Å; F75-N79 PolarHBondContact O-N 3.18Å
76	R	79.8	Confident	67.3	Low	137 Å²	137	79.1 Å²	79.1	52%	0.517	45%	0.448	S	S	.	.	H	α-helix	trans	-64.3	-44.5	170.9	-75.8	-178.9	-170.7	-129.5	-0.5	112.2	W60 D72 N79 A80	W60-R76 HydrophobicContact CH2-CG 4.45Å; W60-R76 HydrophobicContact CZ2-CG 3.63Å; D72-R76 WeakPolarHBondContact O-CB 3.4Å; D72-R76 WeakPolarHBondContact O-CG 3.17Å; D72-R76 PolarHBondContact O-N 3.41Å; D72-R76 IonicContact OD1-CZ 3.51Å; D72-R76 IonicContact OD1-NE 3.52Å; D72-R76 PolarHBondContact OD1-NE 3.11Å; D72-R76 IonicContact OD1-NH2 3.59Å; D72-R76 IonicContact OD2-CZ 3.45Å; D72-R76 IonicContact OD2-NE 3.81Å; D72-R76 IonicContact OD2-NH2 3.96Å; R76-N79 PolarHBondContact O-N 3.46Å; R76-A80 VanDerWaalsContact O-CB 3.29Å; R76-A80 WeakPolarHBondContact O-CB 3.19Å; R76-A80 PolarHBondContact O-N 3.26Å
77	N	70	Confident	65	Low	43 Å²	43	81.8 Å²	81.8	23%	0.23	45%	0.452	C	S	.	.	H	α-helix	trans	-69.8	-39	-179.2	-68.7	-21.3	0	0	0	111.3	L73 F74 A80 G81 Q82 Y84	L73-N77 VanDerWaalsContact O-CB 3.32Å; L73-N77 WeakPolarHBondContact O-CB 3.4Å; L73-N77 PolarHBondContact O-N 3.09Å; L73-N77 PolarHBondContact O-ND2 3.09Å; L73-N77 VanDerWaalsContact O-ND2 3.11Å; F74-N77 PolarHBondContact O-N 3.27Å; N77-A80 CarbonylContact O-C 3.3Å; N77-A80 PolarHBondContact O-N 3.25Å; N77-G81 PolarHBondContact O-N 3.26Å; N77-G81 VanDerWaalsContact O-N 3.15Å; N77-Q82 CarbonylContact C-O 3.4Å; N77-Q82 PolarHBondContact O-N 2.75Å; N77-Y84 WeakPolarHBondContact ND2-CD2 3.43Å
78	A	70.8	Confident	62.5	Low	59 Å²	59	89.3 Å²	89.3	49%	0.488	49%	0.491	S	S	.	.	H	α-helix	trans	-61.7	-45.3	172.6	0	0	0	0	0	112.3	F74 A80 G81	F74-A78 VanDerWaalsContact O-CB 3.31Å; F74-A78 WeakPolarHBondContact O-CB 3.38Å; F74-A78 PolarHBondContact O-N 3.27Å; A78-A80 VanDerWaalsContact C-N 3.29Å; A78-A80 PolarHBondContact O-N 3.38Å; A78-G81 PolarHBondContact O-N 2.99Å
79	N	65.7	Low	60.1	Low	101 Å²	101	88.5 Å²	88.5	54%	0.54	50%	0.498	S	S	.	.	H	α-helix	trans	-70	-23.7	176.3	-91.8	-25.5	0	0	0	113.7	Y57 F75 R76 G81	Y57-N79 PolarHBondContact OH-ND2 2.86Å; F75-N79 WeakPolarHBondContact O-CB 3.42Å; F75-N79 PolarHBondContact O-N 3.18Å; R76-N79 PolarHBondContact O-N 3.46Å; N79-G81 VanDerWaalsContact C-N 3.32Å
80	A	58.6	Low	58.4	Low	72 Å²	72	88.4 Å²	88.4	60%	0.595	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	0.8	173.8	0	0	0	0	0	113.4	R76 N77 A78 Q82	R76-A80 VanDerWaalsContact O-CB 3.29Å; R76-A80 WeakPolarHBondContact O-CB 3.19Å; R76-A80 PolarHBondContact O-N 3.26Å; N77-A80 CarbonylContact O-C 3.3Å; N77-A80 PolarHBondContact O-N 3.25Å; A78-A80 VanDerWaalsContact C-N 3.29Å; A78-A80 PolarHBondContact O-N 3.38Å; A80-Q82 VanDerWaalsContact C-N 3.34Å; A80-Q82 PolarHBondContact O-N 2.94Å
81	G	45.2	Very low	56.6	Low	70 Å²	70	94.5 Å²	94.5	72%	0.722	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	21.3	178.2	0	0	0	0	0	115	N77 A78 N79	N77-G81 PolarHBondContact O-N 3.26Å; N77-G81 VanDerWaalsContact O-N 3.15Å; A78-G81 PolarHBondContact O-N 2.99Å; N79-G81 VanDerWaalsContact C-N 3.32Å
82	Q	48	Very low	54.1	Low	139 Å²	139	100.6 Å²	100.6	65%	0.65	56%	0.562	S	S	*	*			trans	-108.4	129.8	177.3	-69.6	-168.4	-10.3	0	0	111.3	N77 A80	N77-Q82 CarbonylContact C-O 3.4Å; N77-Q82 PolarHBondContact O-N 2.75Å; A80-Q82 VanDerWaalsContact C-N 3.34Å; A80-Q82 PolarHBondContact O-N 2.94Å
83	A	42.6	Very low	51.7	Low	109 Å²	109	108.4 Å²	108.4	90%	0.901	60%	0.597	S	S	*	*			trans	-67.4	132	175.2	0	0	0	0	0	110.9
84	Y	43.2	Very low	49.8	Very low	109 Å²	109	115.8 Å²	115.8	43%	0.427	62%	0.62	S	S	.	*			trans	-86.3	121.3	178.1	-175.2	-105.2	0	0	0	110.6	N77 P86	N77-Y84 WeakPolarHBondContact ND2-CD2 3.43Å; Y84-P86 HydrophobicContact CD1-CG 3.93Å; Y84-P86 HydrophobicContact CE1-CB 3.92Å; Y84-P86 HydrophobicContact CE1-CG 3.79Å
85	D	43.4	Very low	47.6	Very low	121 Å²	121	122.8 Å²	122.8	65%	0.647	65%	0.651	S	S	*	*			trans	-107.5	114.6	170.7	-170.3	-14.2	0	0	0	110	H87	D85-H87 VanDerWaalsContact C-N 3.35Å; D85-H87 PolarHBondContact OD1-N 3.04Å
86	P	40.4	Very low	45	Very low	83 Å²	83	127.5 Å²	127.5	54%	0.539	69%	0.691	S	S	.	*			trans	-84.4	5.1	-179.5	-0.7	18.7	0	0	0	115	Y84	Y84-P86 HydrophobicContact CD1-CG 3.93Å; Y84-P86 HydrophobicContact CE1-CB 3.92Å; Y84-P86 HydrophobicContact CE1-CG 3.79Å
87	H	36.5	Very low	42.8	Very low	125 Å²	125	125.8 Å²	125.8	58%	0.579	70%	0.7	S	S	*	*			trans	-121.3	94.2	-173	-65.6	-64.7	0	0	0	113.9	D85	D85-H87 VanDerWaalsContact C-N 3.35Å; D85-H87 PolarHBondContact OD1-N 3.04Å
88	L	31.9	Very low	41	Very low	171 Å²	171	133.5 Å²	133.5	90%	0.895	73%	0.732	S	S	*	*			trans	-118.5	115.9	148.4	-105.5	96.7	0	0	0	110
89	P	34.8	Very low	39.2	Very low	118 Å²	118	138.8 Å²	138.8	77%	0.766	75%	0.751	S	S	*	*			trans	-116.1	127.9	131.6	1.5	18.5	0	0	0	110.9	Q91	P89-Q91 PolarHBondContact O-N 3.5Å
90	D	39	Very low	37.8	Very low	154 Å²	154	143.4 Å²	143.4	82%	0.824	77%	0.77	S	S	*	*			trans	-26.5	105.2	159.2	-156.9	12.2	0	0	0	114.5
91	Q	36.2	Very low	36.6	Very low	179 Å²	179	144.6 Å²	144.6	84%	0.836	77%	0.773	S	S	*	*			trans	176.8	90.8	149.9	-101.8	178.3	23.9	0	0	110.3	P89	P89-Q91 PolarHBondContact O-N 3.5Å
92	L	31	Very low	36.1	Very low	160 Å²	160	150.2 Å²	150.2	84%	0.838	78%	0.781	S	S	*	*			trans	-166.4	39.3	151.5	-105.1	154.7	0	0	0	112.6	R94	L92-R94 PolarHBondContact O-N 2.78Å; L92-R94 VanDerWaalsContact O-N 3.1Å
93	E	32.3	Very low	35.6	Very low	192 Å²	192	147.1 Å²	147.1	90%	0.897	79%	0.785	S	S	*	*			trans	-78.3	78.3	153.7	-81	-167.3	161.1	0	0	109.3
94	R	35.9	Very low	35.3	Very low	226 Å²	226	149.6 Å²	149.6	85%	0.853	78%	0.783	S	S	*	*	S	Bend	trans	176.2	86.8	153.8	-102.5	173.5	-125.1	-155.4	0.7	109.7	L92	L92-R94 PolarHBondContact O-N 2.78Å; L92-R94 VanDerWaalsContact O-N 3.1Å
95	K	30.3	Very low	35.2	Very low	201 Å²	201	149.3 Å²	149.3	87%	0.874	80%	0.803	S	S	*	*			trans	173.2	30.4	141.8	-95.9	171.2	-177.6	-176.2	0	113.1	S97	K95-S97 PolarHBondContact O-N 2.94Å
96	A	29.5	Very low	35.1	Very low	109 Å²	109	150.9 Å²	150.9	90%	0.901	81%	0.806	S	S	*	*			trans	-97.4	67.3	162.9	0	0	0	0	0	109.4
97	S	32.9	Very low	35.5	Very low	100 Å²	100	150.9 Å²	150.9	70%	0.699	81%	0.805	S	S	*	*			trans	-154.3	52.4	172.2	65.7	0	0	0	0	111	K95	K95-S97 PolarHBondContact O-N 2.94Å
98	F	33	Very low	36.4	Very low	205 Å²	205	149.6 Å²	149.6	90%	0.899	81%	0.808	S	S	*	*	S	Bend	trans	-158.9	131.9	154.1	-104.9	-82.1	0	0	0	105.4
99	L	32.4	Very low	37.7	Very low	170 Å²	170	143.6 Å²	143.6	89%	0.89	79%	0.787	S	S	*	*			trans	95	51.5	-169.7	-51.2	165.7	0	0	0	115.4
100	Q	37.1	Very low	39.1	Very low	199 Å²	199	145.2 Å²	145.2	93%	0.93	78%	0.782	S	S	*	*			trans	-105.6	91.8	139.6	-91	-175.8	-10.9	0	0	108.1
101	S	33.8	Very low	40.6	Very low	96 Å²	96	140 Å²	140	67%	0.671	76%	0.761	S	S	*	*			trans	-167.1	118.2	151.1	56.4	0	0	0	0	111.1
102	H	33.5	Very low	42.6	Very low	189 Å²	189	137.3 Å²	137.3	88%	0.875	75%	0.748	S	S	*	*			trans	98.1	111.1	165.6	-62.5	-56	0	0	0	117.2
103	G	38.2	Very low	44.9	Very low	73 Å²	73	133.8 Å²	133.8	75%	0.753	73%	0.726	S	S	*	*			trans	-71.6	150	-171.1	0	0	0	0	0	114.1
104	L	36.5	Very low	47.3	Very low	161 Å²	161	129.5 Å²	129.5	84%	0.843	71%	0.709	S	S	*	*			trans	-161.4	120.6	131.3	-97.7	159.1	0	0	0	105	Q106	L104-Q106 PolarHBondContact O-N 2.78Å
105	A	40.7	Very low	49.7	Very low	104 Å²	104	122.8 Å²	122.8	86%	0.86	69%	0.693	S	S	*	*			trans	-61.7	101.7	167.8	0	0	0	0	0	107.8	T107	A105-T107 PolarHBondContact O-N 3.37Å
106	Q	41.7	Very low	52.4	Low	153 Å²	153	118.6 Å²	118.6	72%	0.715	68%	0.676	S	S	*	*			trans	-77.4	112.8	168.2	-75.4	-169.7	-2.3	0	0	107.9	L104	L104-Q106 PolarHBondContact O-N 2.78Å
107	T	47.9	Very low	55.2	Low	84 Å²	84	113.9 Å²	113.9	52%	0.515	64%	0.636	S	S	.	*			trans	-53	129.5	167.5	27.3	0	0	0	0	110.3	A105 G109 K110	A105-T107 PolarHBondContact O-N 3.37Å; T107-G109 PolarHBondContact O-N 2.83Å; T107-G109 VanDerWaalsContact O-N 3.09Å; T107-K110 PolarHBondContact O-N 3.04Å
108	P	55.7	Low	57.9	Low	97 Å²	97	111.9 Å²	111.9	63%	0.63	62%	0.615	S	S	*	*	H	α-helix	trans	-49.3	-40.3	-174.6	-12	5.8	0	0	0	114.3	K110 A111 E112	P108-K110 VanDerWaalsContact C-N 3.27Å; P108-K110 PolarHBondContact O-N 3.35Å; P108-A111 PolarHBondContact O-N 2.97Å; P108-E112 PolarHBondContact O-N 3.09Å
109	G	58.7	Low	60.6	Low	45 Å²	45	106.8 Å²	106.8	46%	0.464	60%	0.597	S	S	.	*	H	α-helix	trans	-66.9	-16	-179.4	0	0	0	0	0	116.2	T107 K113	T107-G109 PolarHBondContact O-N 2.83Å; T107-G109 VanDerWaalsContact O-N 3.09Å; G109-K113 WeakPolarHBondContact O-CB 3.32Å; G109-K113 PolarHBondContact O-N 2.95Å
110	K	64.3	Low	63.4	Low	153 Å²	153	99.3 Å²	99.3	67%	0.665	56%	0.56	S	S	*	*	H	α-helix	trans	-80.7	-33.3	173.5	-77.7	-173.1	178	-179.6	0	112.5	T107 P108 L114	T107-K110 PolarHBondContact O-N 3.04Å; P108-K110 VanDerWaalsContact C-N 3.27Å; P108-K110 PolarHBondContact O-N 3.35Å; K110-L114 WeakPolarHBondContact O-CB 3.33Å; K110-L114 PolarHBondContact O-N 3.38Å
111	A	71.9	Confident	66.1	Low	44 Å²	44	90 Å²	90	36%	0.364	52%	0.516	S	S	.	.	H	α-helix	trans	-73.7	-41.2	176.9	0	0	0	0	0	110.7	P108 L114 V115	P108-A111 PolarHBondContact O-N 2.97Å; A111-L114 PolarHBondContact O-N 3.34Å; A111-V115 WeakPolarHBondContact O-CG2 3.1Å; A111-V115 PolarHBondContact O-N 3.17Å
112	E	76.9	Confident	68.9	Low	122 Å²	122	89.9 Å²	89.9	57%	0.57	51%	0.505	S	S	*	.	H	α-helix	trans	-58.3	-50.5	173.7	-72.1	168.7	176.1	0	0	111.6	P108 L114 V115 E116	P108-E112 PolarHBondContact O-N 3.09Å; E112-L114 VanDerWaalsContact C-N 3.29Å; E112-L114 PolarHBondContact O-N 3.31Å; E112-V115 PolarHBondContact O-N 3.09Å; E112-V115 VanDerWaalsContact O-N 3.15Å; E112-E116 WeakPolarHBondContact O-CG 3.36Å; E112-E116 PolarHBondContact O-N 2.82Å
113	K	80.1	Confident	71.7	Confident	87 Å²	87	83.9 Å²	83.9	38%	0.378	48%	0.484	S	S	.	.	H	α-helix	trans	-62.1	-34.9	178.5	-174.3	53.6	175.7	148.7	0	113.1	G109 E116 D117 G167	G109-K113 WeakPolarHBondContact O-CB 3.32Å; G109-K113 PolarHBondContact O-N 2.95Å; K113-E116 WeakPolarHBondContact CD-OE2 3.49Å; K113-E116 PolarHBondContact O-N 3.14Å; K113-D117 WeakPolarHBondContact CE-OD1 3.2Å; K113-D117 IonicContact NZ-OD1 3.31Å; K113-D117 PolarHBondContact NZ-OD1 2.74Å; K113-D117 WeakPolarHBondContact O-CB 3.35Å; K113-D117 PolarHBondContact O-N 3.03Å; K113-G167 PolarHBondContact NZ-O 3.07Å
114	L	82.1	Confident	74.3	Confident	102 Å²	102	80.4 Å²	80.4	53%	0.534	45%	0.449	S	S	.	.	H	α-helix	trans	-68	-41.4	176.4	-165.6	145.3	0	0	0	111.2	K110 A111 E112 D117 H118	K110-L114 WeakPolarHBondContact O-CB 3.33Å; K110-L114 PolarHBondContact O-N 3.38Å; A111-L114 PolarHBondContact O-N 3.34Å; E112-L114 VanDerWaalsContact C-N 3.29Å; E112-L114 PolarHBondContact O-N 3.31Å; L114-D117 PolarHBondContact O-N 3.08Å; L114-H118 PolarHBondContact O-CD2 2.97Å; L114-H118 VanDerWaalsContact O-CD2 3.23Å; L114-H118 PolarHBondContact O-N 3.15Å
115	V	86.1	Confident	77.1	Confident	85 Å²	85	72.9 Å²	72.9	52%	0.515	41%	0.409	S	S	.	.	H	α-helix	trans	-63.8	-43.6	174	173.3	0	0	0	0	111.2	A111 E112 H118 L119	A111-V115 WeakPolarHBondContact O-CG2 3.1Å; A111-V115 PolarHBondContact O-N 3.17Å; E112-V115 PolarHBondContact O-N 3.09Å; E112-V115 VanDerWaalsContact O-N 3.15Å; V115-H118 PolarHBondContact O-N 3.39Å; V115-L119 HydrophobicContact CG1-CD1 4.14Å; V115-L119 HydrophobicContact CG1-CG 4.47Å; V115-L119 WeakPolarHBondContact O-CG 3.49Å; V115-L119 PolarHBondContact O-N 2.82Å
116	E	87.6	Confident	79.6	Confident	112 Å²	112	75.4 Å²	75.4	52%	0.523	40%	0.396	S	S	.	.	H	α-helix	trans	-57.8	-48.5	174.4	-73.7	175.5	179.2	0	0	111.9	E112 K113 H118 L119 A120	E112-E116 WeakPolarHBondContact O-CG 3.36Å; E112-E116 PolarHBondContact O-N 2.82Å; K113-E116 WeakPolarHBondContact CD-OE2 3.49Å; K113-E116 PolarHBondContact O-N 3.14Å; E116-H118 VanDerWaalsContact C-N 3.29Å; E116-H118 PolarHBondContact O-N 3.41Å; E116-L119 PolarHBondContact O-N 3.15Å; E116-A120 WeakPolarHBondContact O-CB 3.36Å; E116-A120 PolarHBondContact O-N 3.47Å
117	D	88.4	Confident	82.1	Confident	10 Å²	10	68.1 Å²	68.1	5%	0.053	36%	0.363	C	S	.	.	H	α-helix	trans	-62	-37.5	179.3	-68.1	-7	0	0	0	110.9	K113 L114 A120 V121 L168 K175 F177	K113-D117 WeakPolarHBondContact CE-OD1 3.2Å; K113-D117 IonicContact NZ-OD1 3.31Å; K113-D117 PolarHBondContact NZ-OD1 2.74Å; K113-D117 WeakPolarHBondContact O-CB 3.35Å; K113-D117 PolarHBondContact O-N 3.03Å; L114-D117 PolarHBondContact O-N 3.08Å; D117-A120 WeakPolarHBondContact O-CB 3.48Å; D117-A120 PolarHBondContact O-N 3.49Å; D117-V121 WeakPolarHBondContact O-CG2 3.31Å; D117-V121 PolarHBondContact O-N 3.47Å; D117-L168 HydrophobicContact CB-CD2 4.27Å; D117-K175 IonicContact OD2-NZ 2.71Å; D117-F177 HydrophobicContact CB-CE1 3.8Å; D117-F177 HydrophobicContact CB-CZ 4.26Å
118	H	89.8	Confident	84.3	Confident	59 Å²	59	64.3 Å²	64.3	27%	0.273	34%	0.339	S	S	.	.	H	α-helix	trans	-67	-41.9	174.4	-89.8	-94.3	0	0	0	113.2	L114 V115 E116 A120 V121 Q122 Q178	L114-H118 PolarHBondContact O-CD2 2.97Å; L114-H118 VanDerWaalsContact O-CD2 3.23Å; L114-H118 PolarHBondContact O-N 3.15Å; V115-H118 PolarHBondContact O-N 3.39Å; E116-H118 VanDerWaalsContact C-N 3.29Å; E116-H118 PolarHBondContact O-N 3.41Å; H118-A120 VanDerWaalsContact C-N 3.3Å; H118-V121 PolarHBondContact O-N 2.87Å; H118-Q122 PolarHBondContact O-N 3.23Å; H118-Q178 PolarHBondContact CE1-N 2.81Å
119	L	89.9	Confident	86.1	Confident	98 Å²	98	60 Å²	60	51%	0.513	31%	0.31	S	S	.	.	H	α-helix	trans	-65.9	-35.6	175.3	-70.7	174	0	0	0	111.6	V115 E116 Q122 S123	V115-L119 HydrophobicContact CG1-CD1 4.14Å; V115-L119 HydrophobicContact CG1-CG 4.47Å; V115-L119 WeakPolarHBondContact O-CG 3.49Å; V115-L119 PolarHBondContact O-N 2.82Å; E116-L119 PolarHBondContact O-N 3.15Å; L119-Q122 PolarHBondContact O-N 3.22Å; L119-S123 WeakPolarHBondContact O-CB 3.22Å; L119-S123 PolarHBondContact O-N 2.86Å; L119-S123 PolarHBondContact O-OG 3.35Å
120	A	91.6	Very high	87.8	Confident	13 Å²	13	60.3 Å²	60.3	11%	0.107	30%	0.301	C	S	.	.	H	α-helix	trans	-61.8	-48.4	172.8	0	0	0	0	0	111.3	E116 D117 H118 Q122 S123 L124 Y166 L168	E116-A120 WeakPolarHBondContact O-CB 3.36Å; E116-A120 PolarHBondContact O-N 3.47Å; D117-A120 WeakPolarHBondContact O-CB 3.48Å; D117-A120 PolarHBondContact O-N 3.49Å; H118-A120 VanDerWaalsContact C-N 3.3Å; A120-Q122 PolarHBondContact O-N 3.15Å; A120-S123 WeakPolarHBondContact O-CB 3.43Å; A120-S123 PolarHBondContact O-N 3.21Å; A120-L124 WeakPolarHBondContact O-CB 3.48Å; A120-L124 PolarHBondContact O-N 3.04Å; A120-Y166 VanDerWaalsContact CB-O 3.29Å; A120-Y166 WeakPolarHBondContact CB-O 3.22Å; A120-L168 HydrophobicContact CB-CD1 4.29Å; A120-L168 HydrophobicContact CB-CD2 4.36Å; A120-L168 HydrophobicContact CB-CG 4.22Å
121	V	92.5	Very high	89.1	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.018	28%	0.282	C	S	.	.	H	α-helix	trans	-63.7	-38.4	176.3	172.9	0	0	0	0	112.2	D117 H118 S123 L124 I125 L168 F177 L194 I197	D117-V121 WeakPolarHBondContact O-CG2 3.31Å; D117-V121 PolarHBondContact O-N 3.47Å; H118-V121 PolarHBondContact O-N 2.87Å; V121-S123 VanDerWaalsContact C-N 3.35Å; V121-L124 WeakPolarHBondContact O-CB 3.1Å; V121-L124 PolarHBondContact O-N 3.01Å; V121-I125 HydrophobicContact CG1-CD1 4.15Å; V121-I125 WeakPolarHBondContact O-CG1 3.35Å; V121-I125 PolarHBondContact O-N 3.47Å; V121-L168 HydrophobicContact CG2-CD1 4.1Å; V121-F177 HydrophobicContact CB-CD1 4.29Å; V121-F177 HydrophobicContact CB-CG 4.4Å; V121-F177 HydrophobicContact CG1-CB 4.24Å; V121-F177 HydrophobicContact CG1-CG 4.34Å; V121-F177 HydrophobicContact CG2-CD1 3.75Å; V121-F177 HydrophobicContact CG2-CD2 4.03Å; V121-F177 HydrophobicContact CG2-CE1 3.8Å; V121-F177 HydrophobicContact CG2-CE2 4.09Å; V121-F177 HydrophobicContact CG2-CG 3.86Å; V121-F177 HydrophobicContact CG2-CZ 3.96Å; V121-L194 HydrophobicContact CG2-CD1 3.97Å; V121-I197 HydrophobicContact CG1-CD1 3.78Å; V121-I197 HydrophobicContact CG1-CG2 4.5Å
122	Q	93.1	Very high	90	Very high	94 Å²	94	54.4 Å²	54.4	44%	0.439	27%	0.265	S	S	.	.	H	α-helix	trans	-64	-40.7	173.9	-176.9	177.8	-9.9	0	0	112	H118 L119 A120 L124 I125 R126 P180	H118-Q122 PolarHBondContact O-N 3.23Å; L119-Q122 PolarHBondContact O-N 3.22Å; A120-Q122 PolarHBondContact O-N 3.15Å; Q122-L124 VanDerWaalsContact C-N 3.35Å; Q122-I125 PolarHBondContact O-N 2.92Å; Q122-R126 WeakPolarHBondContact O-CB 3.43Å; Q122-R126 PolarHBondContact O-N 2.97Å; Q122-P180 HydrophobicContact CG-CB 4.47Å; Q122-P180 HydrophobicContact CG-CG 4.42Å
123	S	92.4	Very high	90.7	Very high	63 Å²	63	48.9 Å²	48.9	44%	0.441	24%	0.239	S	C	.	.	H	α-helix	trans	-66.2	-39.1	176.8	-59.1	0	0	0	0	111.5	L119 A120 V121 R126 A127	L119-S123 WeakPolarHBondContact O-CB 3.22Å; L119-S123 PolarHBondContact O-N 2.86Å; L119-S123 PolarHBondContact O-OG 3.35Å; A120-S123 WeakPolarHBondContact O-CB 3.43Å; A120-S123 PolarHBondContact O-N 3.21Å; V121-S123 VanDerWaalsContact C-N 3.35Å; S123-R126 PolarHBondContact O-N 3.47Å; S123-A127 PolarHBondContact O-N 2.84Å
124	L	93.2	Very high	91.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.5	-51.7	173.2	173.8	65	0	0	0	111.8	A120 V121 Q122 R126 A127 Y128 I157 Y166 L194 I198	A120-L124 WeakPolarHBondContact O-CB 3.48Å; A120-L124 PolarHBondContact O-N 3.04Å; V121-L124 WeakPolarHBondContact O-CB 3.1Å; V121-L124 PolarHBondContact O-N 3.01Å; Q122-L124 VanDerWaalsContact C-N 3.35Å; L124-R126 VanDerWaalsContact C-N 3.27Å; L124-R126 PolarHBondContact O-N 3.11Å; L124-A127 WeakPolarHBondContact O-CB 3.45Å; L124-A127 PolarHBondContact O-N 2.94Å; L124-A127 VanDerWaalsContact O-N 3.08Å; L124-Y128 HydrophobicContact CD1-CD2 4.07Å; L124-Y128 HydrophobicContact CD1-CE2 3.67Å; L124-Y128 HydrophobicContact CG-CE2 4.37Å; L124-Y128 WeakPolarHBondContact O-CD2 3.25Å; L124-Y128 PolarHBondContact O-N 3.13Å; L124-I157 HydrophobicContact CD1-CD1 4.19Å; L124-I157 HydrophobicContact CD1-CG1 3.43Å; L124-I157 VanDerWaalsContact CD1-CG1 3.43Å; L124-Y166 HydrophobicContact CB-CD1 4.44Å; L124-Y166 HydrophobicContact CB-CE1 4.24Å; L124-Y166 HydrophobicContact CB-CE2 4.47Å; L124-Y166 HydrophobicContact CD1-CD2 4.27Å; L124-Y166 HydrophobicContact CD1-CE2 3.76Å; L124-L194 HydrophobicContact CD2-CD1 3.88Å; L124-I198 HydrophobicContact CD2-CD1 4.48Å; L124-I198 HydrophobicContact CD2-CG1 4.04Å
125	I	94.6	Very high	91.4	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-54.1	-48	175.4	-70.9	160.9	0	0	0	110.1	V121 Q122 A127 Y128 Q129 P180 T183 I197 L201	V121-I125 HydrophobicContact CG1-CD1 4.15Å; V121-I125 WeakPolarHBondContact O-CG1 3.35Å; V121-I125 PolarHBondContact O-N 3.47Å; Q122-I125 PolarHBondContact O-N 2.92Å; I125-A127 VanDerWaalsContact C-N 3.3Å; I125-A127 PolarHBondContact O-N 3.45Å; I125-Y128 PolarHBondContact O-N 3.31Å; I125-Q129 WeakPolarHBondContact O-CG 3.41Å; I125-Q129 PolarHBondContact O-N 3.29Å; I125-Q129 VanDerWaalsContact O-N 3.08Å; I125-P180 HydrophobicContact CD1-CG 3.91Å; I125-T183 HydrophobicContact CD1-CG2 4.28Å; I125-T183 HydrophobicContact CG2-CG2 4.43Å; I125-I197 HydrophobicContact CD1-CG2 4.3Å; I125-I197 HydrophobicContact CG1-CG2 3.98Å; I125-L201 HydrophobicContact CB-CD1 4.39Å; I125-L201 HydrophobicContact CG1-CD1 3.88Å; I125-L201 HydrophobicContact CG1-CD2 4.48Å; I125-L201 HydrophobicContact CG2-CD2 4.26Å
126	R	93.8	Very high	91.6	Very high	157 Å²	157	40.7 Å²	40.7	59%	0.592	20%	0.199	S	C	*	.	H	α-helix	trans	-62.3	-36.2	179.3	-175.1	172.8	-176.7	169.1	1.9	112.5	Q122 S123 L124 Q129 I130	Q122-R126 WeakPolarHBondContact O-CB 3.43Å; Q122-R126 PolarHBondContact O-N 2.97Å; S123-R126 PolarHBondContact O-N 3.47Å; L124-R126 VanDerWaalsContact C-N 3.27Å; L124-R126 PolarHBondContact O-N 3.11Å; R126-Q129 PolarHBondContact O-N 3.46Å; R126-I130 HydrophobicContact CG-CD1 3.71Å; R126-I130 HydrophobicContact CG-CG1 4.33Å; R126-I130 VanDerWaalsContact O-CG1 3.29Å; R126-I130 WeakPolarHBondContact O-CG1 3.28Å; R126-I130 PolarHBondContact O-N 2.99Å
127	A	93.2	Very high	91.9	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-63	-44.2	177	0	0	0	0	0	111.7	S123 L124 I125 I130 R131 L156 Y166	S123-A127 PolarHBondContact O-N 2.84Å; L124-A127 WeakPolarHBondContact O-CB 3.45Å; L124-A127 PolarHBondContact O-N 2.94Å; L124-A127 VanDerWaalsContact O-N 3.08Å; I125-A127 VanDerWaalsContact C-N 3.3Å; I125-A127 PolarHBondContact O-N 3.45Å; A127-I130 PolarHBondContact O-N 3.02Å; A127-R131 PolarHBondContact O-N 3.04Å; A127-L156 HydrophobicContact CB-CD2 4.23Å; A127-Y166 WeakPolarHBondContact CB-OH 3.41Å
128	Y	93.8	Very high	92.2	Very high	3 Å²	3	40.8 Å²	40.8	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-62.3	-42.8	174	-83.2	-95.3	0	0	0	112.3	L124 I125 I130 G132 L156 I157 L201 E202	L124-Y128 HydrophobicContact CD1-CD2 4.07Å; L124-Y128 HydrophobicContact CD1-CE2 3.67Å; L124-Y128 HydrophobicContact CG-CE2 4.37Å; L124-Y128 WeakPolarHBondContact O-CD2 3.25Å; L124-Y128 PolarHBondContact O-N 3.13Å; I125-Y128 PolarHBondContact O-N 3.31Å; Y128-I130 VanDerWaalsContact C-N 3.27Å; Y128-I130 PolarHBondContact O-N 3.22Å; Y128-G132 VanDerWaalsContact O-CA 3.28Å; Y128-G132 WeakPolarHBondContact O-CA 3.22Å; Y128-G132 PolarHBondContact O-N 3.17Å; Y128-L156 HydrophobicContact CD1-CD2 4.31Å; Y128-L156 HydrophobicContact CD2-CD2 4.06Å; Y128-L156 HydrophobicContact CE2-CD2 4.33Å; Y128-L156 HydrophobicContact CG-CD2 4.05Å; Y128-I157 WeakPolarHBondContact OH-CB 3.22Å; Y128-I157 PolarHBondContact OH-O 3.28Å; Y128-L201 HydrophobicContact CD1-CB 3.78Å; Y128-L201 HydrophobicContact CD2-CB 4.12Å; Y128-L201 HydrophobicContact CD2-CD1 3.81Å; Y128-L201 HydrophobicContact CE1-CB 4.19Å; Y128-L201 HydrophobicContact CE2-CD1 4.33Å; Y128-L201 HydrophobicContact CG-CB 3.74Å; Y128-L201 HydrophobicContact CG-CD1 4.12Å; Y128-L201 HydrophobicContact CG-CG 4.37Å; Y128-E202 HydrophobicContact CE1-CG 3.8Å
129	Q	95.2	Very high	92.3	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.028	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-34.4	177.8	-69.1	179.8	-13.8	0	0	113.1	I125 R126 T182 Y205 M214 E230	I125-Q129 WeakPolarHBondContact O-CG 3.41Å; I125-Q129 PolarHBondContact O-N 3.29Å; I125-Q129 VanDerWaalsContact O-N 3.08Å; R126-Q129 PolarHBondContact O-N 3.46Å; Q129-T182 PolarHBondContact NE2-O 3.11Å; Q129-Y205 HydrophobicContact CG-CE2 3.98Å; Q129-M214 HydrophobicContact CB-CG 4.3Å; Q129-M214 HydrophobicContact CB-SD 4.18Å; Q129-M214 VanDerWaalsContact O-CG 3.23Å; Q129-M214 WeakPolarHBondContact O-CG 3.49Å; Q129-E230 PolarHBondContact NE2-OE1 3.36Å
130	I	93.3	Very high	92.5	Very high	53 Å²	53	35.2 Å²	35.2	27%	0.272	17%	0.173	S	C	.	.	H	α-helix	trans	-87.7	-43	-178.1	-63.2	171.3	0	0	0	111.8	R126 A127 Y128 H133 M214	R126-I130 HydrophobicContact CG-CD1 3.71Å; R126-I130 HydrophobicContact CG-CG1 4.33Å; R126-I130 VanDerWaalsContact O-CG1 3.29Å; R126-I130 WeakPolarHBondContact O-CG1 3.28Å; R126-I130 PolarHBondContact O-N 2.99Å; A127-I130 PolarHBondContact O-N 3.02Å; Y128-I130 VanDerWaalsContact C-N 3.27Å; Y128-I130 PolarHBondContact O-N 3.22Å; I130-H133 PolarHBondContact O-CD2 2.79Å; I130-H133 VanDerWaalsContact O-CD2 3.27Å; I130-H133 PolarHBondContact O-NE2 2.76Å; I130-M214 HydrophobicContact CD1-CE 4.4Å; I130-M214 HydrophobicContact CG1-CB 4Å; I130-M214 HydrophobicContact CG1-CE 3.89Å; I130-M214 HydrophobicContact CG1-CG 3.87Å
131	R	91.2	Very high	92.6	Very high	72 Å²	72	35.1 Å²	35.1	27%	0.272	17%	0.171	S	C	.	.	H	α-helix	trans	-121.5	-3.6	-166.3	-71.3	-176.9	-77	-71.2	-9.7	114.4	A127 H133 H134 P153 D155 L156	A127-R131 PolarHBondContact O-N 3.04Å; R131-H133 PolarHBondContact O-N 3.32Å; R131-H133 VanDerWaalsContact O-N 3.09Å; R131-H134 WeakPolarHBondContact O-CB 3.34Å; R131-H134 PolarHBondContact O-N 3.02Å; R131-P153 HydrophobicContact CB-CG 4.32Å; R131-D155 IonicContact CZ-OD1 2.89Å; R131-D155 IonicContact CZ-OD2 3.43Å; R131-D155 IonicContact NE-OD1 3.08Å; R131-D155 PolarHBondContact NE-OD1 2.84Å; R131-D155 IonicContact NE-OD2 3.84Å; R131-D155 PolarHBondContact NE-OD2 2.86Å; R131-D155 VanDerWaalsContact NE-OD2 3.12Å; R131-D155 IonicContact NH2-OD1 3.4Å; R131-D155 IonicContact NH2-OD2 3.19Å; R131-D155 PolarHBondContact NH2-OD2 3.18Å; R131-L156 HydrophobicContact CB-CD1 4.04Å; R131-L156 HydrophobicContact CB-CG 4.45Å; R131-L156 WeakPolarHBondContact O-CD1 3.17Å
132	G	92.1	Very high	92.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-57.3	-29.9	-176	0	0	0	0	0	113.4	Y128 H134 V135 A136 Y205	Y128-G132 VanDerWaalsContact O-CA 3.28Å; Y128-G132 WeakPolarHBondContact O-CA 3.22Å; Y128-G132 PolarHBondContact O-N 3.17Å; G132-H134 PolarHBondContact O-N 3.47Å; G132-V135 WeakPolarHBondContact O-CG2 3.49Å; G132-V135 PolarHBondContact O-N 3.07Å; G132-V135 VanDerWaalsContact O-N 3.11Å; G132-A136 PolarHBondContact O-N 3.24Å; G132-Y205 CarbonylContact C-O 3.34Å; G132-Y205 VanDerWaalsContact O-O 3.05Å
133	H	91.7	Very high	91.9	Very high	7 Å²	7	36.4 Å²	36.4	3%	0.032	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-60.3	-24.9	175	66.5	86.8	0	0	0	114.4	I130 R131 V135 A136 E212 Y451	I130-H133 PolarHBondContact O-CD2 2.79Å; I130-H133 VanDerWaalsContact O-CD2 3.27Å; I130-H133 PolarHBondContact O-NE2 2.76Å; R131-H133 PolarHBondContact O-N 3.32Å; R131-H133 VanDerWaalsContact O-N 3.09Å; H133-V135 VanDerWaalsContact C-N 3.26Å; H133-V135 PolarHBondContact O-N 3.46Å; H133-A136 PolarHBondContact O-N 2.89Å; H133-E212 HydrophobicContact CB-CG 4.38Å; H133-E212 IonicContact CE1-OE1 3.67Å; H133-E212 PolarHBondContact CE1-OE1 3.36Å; H133-E212 IonicContact ND1-OE1 3.35Å; H133-E212 IonicContact NE2-OE1 2.74Å; H133-Y451 AromaticContact CE1-CE2 3.76Å; H133-Y451 AromaticContact ND1-CE2 3.44Å; H133-Y451 WeakPolarHBondContact ND1-CE2 3.43Å; H133-Y451 AromaticContact ND1-CZ 3.52Å; H133-Y451 PolarHBondContact ND1-OH 3.04Å; H133-Y451 PolarHBondContact O-OH 2.68Å
134	H	87.8	Confident	90.8	Very high	45 Å²	45	36.4 Å²	36.4	21%	0.208	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-68.5	-24.5	176.1	-75.5	-86.9	0	0	0	113.2	R131 G132 D147 P153	R131-H134 WeakPolarHBondContact O-CB 3.34Å; R131-H134 PolarHBondContact O-N 3.02Å; G132-H134 PolarHBondContact O-N 3.47Å; H134-D147 IonicContact CE1-OD1 2.85Å; H134-D147 PolarHBondContact CE1-OD1 2.82Å; H134-D147 IonicContact CE1-OD2 3.85Å; H134-D147 PolarHBondContact CE1-OD2 3.18Å; H134-D147 IonicContact CG-OD2 3.67Å; H134-D147 VanDerWaalsContact ND1-CG 3.31Å; H134-D147 IonicContact ND1-OD1 3.78Å; H134-D147 PolarHBondContact ND1-OD1 2.88Å; H134-D147 VanDerWaalsContact ND1-OD1 3.13Å; H134-D147 IonicContact ND1-OD2 2.74Å; H134-D147 PolarHBondContact ND1-OD2 3.16Å; H134-P153 HydrophobicContact CB-CG 4.15Å
135	V	88.3	Confident	89.3	Confident	39 Å²	39	42.3 Å²	42.3	24%	0.236	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-114	11.3	-179.1	-57.5	0	0	0	0	112.2	G132 H133 V152 L156 T158 C206	G132-V135 WeakPolarHBondContact O-CG2 3.49Å; G132-V135 PolarHBondContact O-N 3.07Å; G132-V135 VanDerWaalsContact O-N 3.11Å; H133-V135 VanDerWaalsContact C-N 3.26Å; H133-V135 PolarHBondContact O-N 3.46Å; V135-V152 HydrophobicContact CG1-CG1 3.98Å; V135-L156 HydrophobicContact CG1-CD1 3.99Å; V135-L156 HydrophobicContact CG2-CD1 3.82Å; V135-T158 HydrophobicContact CB-CG2 4.43Å; V135-T158 HydrophobicContact CG1-CG2 4.12Å; V135-C206 HydrophobicContact CG2-CB 4.07Å; V135-C206 VanDerWaalsContact CG2-SG 3.51Å
136	A	91.3	Very high	87.3	Confident	17 Å²	17	43.9 Å²	43.9	14%	0.14	24%	0.236	C	C	.	.	S	Bend	trans	-68.7	142.5	176	0	0	0	0	0	111.6	G132 H133 L138 C206 Q207	G132-A136 PolarHBondContact O-N 3.24Å; H133-A136 PolarHBondContact O-N 2.89Å; A136-L138 HydrophobicContact CB-CD1 4.08Å; A136-L138 HydrophobicContact CB-CD2 4.08Å; A136-L138 HydrophobicContact CB-CG 3.7Å; A136-L138 PolarHBondContact O-N 3.29Å; A136-C206 WeakPolarHBondContact CA-O 3.42Å; A136-Q207 CarbonylContact C-O 3.53Å
137	Q	93.1	Very high	85.3	Confident	110 Å²	110	38 Å²	38	51%	0.514	22%	0.216	S	C	.	.			trans	-77.1	60.4	177.2	-63.1	-176.5	14.4	0	0	111.5	C206 Q207 H208 N467	Q137-C206 PolarHBondContact N-O 2.86Å; Q137-Q207 WeakPolarHBondContact CA-O 3.42Å; Q137-Q207 PolarHBondContact N-O 3.03Å; Q137-H208 PolarHBondContact O-CD2 3.49Å; Q137-N467 PolarHBondContact O-ND2 2.88Å
138	L	93.5	Very high	83.4	Confident	14 Å²	14	42.2 Å²	42.2	7%	0.073	24%	0.238	C	C	.	.			trans	-81.9	-35.9	-173.4	-63.5	173.6	0	0	0	113.3	A136 P140 H465 N467 V497	A136-L138 HydrophobicContact CB-CD1 4.08Å; A136-L138 HydrophobicContact CB-CD2 4.08Å; A136-L138 HydrophobicContact CB-CG 3.7Å; A136-L138 PolarHBondContact O-N 3.29Å; L138-P140 VanDerWaalsContact O-CD 3.27Å; L138-P140 WeakPolarHBondContact O-CD 3.44Å; L138-H465 HydrophobicContact CD1-CB 3.57Å; L138-H465 HydrophobicContact CD2-CB 3.73Å; L138-H465 WeakPolarHBondContact CD2-O 3.21Å; L138-H465 HydrophobicContact CG-CB 4.27Å; L138-N467 WeakPolarHBondContact O-CA 3.29Å; L138-N467 VanDerWaalsContact O-CB 3.3Å; L138-N467 WeakPolarHBondContact O-CB 3.01Å; L138-N467 PolarHBondContact O-ND2 3.17Å; L138-V497 HydrophobicContact CB-CB 4.47Å; L138-V497 HydrophobicContact CB-CG2 4.23Å; L138-V497 WeakPolarHBondContact O-CB 3.48Å; L138-V497 WeakPolarHBondContact O-CG1 3.35Å
139	D	93.1	Very high	81.5	Confident	25 Å²	25	48.3 Å²	48.3	13%	0.134	27%	0.271	C	S	.	.			trans	-85.5	112.7	-170.7	178.5	13	0	0	0	111.9	L141 G142 I143 L144 Q436	D139-L141 PolarHBondContact O-N 3.44Å; D139-L141 WeakPolarHBondContact OD1-CB 3.31Å; D139-L141 PolarHBondContact OD1-N 3.33Å; D139-G142 PolarHBondContact O-N 3.48Å; D139-G142 PolarHBondContact OD2-N 3.26Å; D139-G142 VanDerWaalsContact OD2-N 3.12Å; D139-I143 PolarHBondContact OD2-N 3.17Å; D139-L144 HydrophobicContact CB-CB 4.11Å; D139-L144 HydrophobicContact CB-CD1 4.19Å; D139-L144 HydrophobicContact CB-CG 4.45Å; D139-L144 WeakPolarHBondContact OD2-CB 3.48Å; D139-L144 PolarHBondContact OD2-N 2.98Å; D139-Q436 PolarHBondContact OD1-NE2 3.15Å; D139-Q436 PolarHBondContact OD1-OE1 2.92Å
140	P	93.6	Very high	79.5	Confident	16 Å²	16	53.3 Å²	53.3	10%	0.104	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.1	176.1	26.7	-34.8	0	0	0	113.7	L138 D469 Y499 Q524	L138-P140 VanDerWaalsContact O-CD 3.27Å; L138-P140 WeakPolarHBondContact O-CD 3.44Å; P140-D469 HydrophobicContact CB-CB 4.09Å; P140-D469 WeakPolarHBondContact CB-OD2 3.34Å; P140-Y499 HydrophobicContact CB-CD1 4.37Å; P140-Y499 HydrophobicContact CG-CD1 3.97Å; P140-Q524 PolarHBondContact O-NE2 3.15Å
141	L	93.1	Very high	77.9	Confident	10 Å²	10	56.8 Å²	56.8	5%	0.052	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-21.2	179.7	-58.1	-175.3	0	0	0	113.3	D139 I143 Y499 M517 I521 Q524	D139-L141 PolarHBondContact O-N 3.44Å; D139-L141 WeakPolarHBondContact OD1-CB 3.31Å; D139-L141 PolarHBondContact OD1-N 3.33Å; L141-I143 VanDerWaalsContact C-N 3.27Å; L141-I143 HydrophobicContact CB-CB 4.48Å; L141-I143 HydrophobicContact CB-CD1 3.97Å; L141-I143 HydrophobicContact CB-CG1 3.82Å; L141-I143 HydrophobicContact CB-CG2 4.12Å; L141-I143 HydrophobicContact CD1-CD1 3.59Å; L141-I143 HydrophobicContact CD1-CG1 4.29Å; L141-I143 HydrophobicContact CG-CD1 4.45Å; L141-I143 PolarHBondContact O-N 3.29Å; L141-Y499 HydrophobicContact CD2-CD1 3.95Å; L141-Y499 HydrophobicContact CD2-CG 3.94Å; L141-M517 HydrophobicContact CD1-CG 3.95Å; L141-I521 HydrophobicContact CD1-CD1 4.17Å; L141-I521 HydrophobicContact CD1-CG1 3.83Å; L141-I521 HydrophobicContact CD2-CG1 3.66Å; L141-I521 HydrophobicContact CG-CG1 4.43Å; L141-Q524 HydrophobicContact CD2-CG 3.68Å
142	G	88.6	Confident	76.6	Confident	68 Å²	68	57 Å²	57	70%	0.701	33%	0.329	S	S	*	.	S	Bend	trans	59.5	35.7	-174.4	0	0	0	0	0	113.3	D139	D139-G142 PolarHBondContact O-N 3.48Å; D139-G142 PolarHBondContact OD2-N 3.26Å; D139-G142 VanDerWaalsContact OD2-N 3.12Å
143	I	83.2	Confident	75.5	Confident	56 Å²	56	57.2 Å²	57.2	29%	0.287	33%	0.33	S	S	.	.			trans	-115.6	-16.5	-179.7	67.7	179.5	0	0	0	113.4	D139 L141 M517 Q520	D139-I143 PolarHBondContact OD2-N 3.17Å; L141-I143 VanDerWaalsContact C-N 3.27Å; L141-I143 HydrophobicContact CB-CB 4.48Å; L141-I143 HydrophobicContact CB-CD1 3.97Å; L141-I143 HydrophobicContact CB-CG1 3.82Å; L141-I143 HydrophobicContact CB-CG2 4.12Å; L141-I143 HydrophobicContact CD1-CD1 3.59Å; L141-I143 HydrophobicContact CD1-CG1 4.29Å; L141-I143 HydrophobicContact CG-CD1 4.45Å; L141-I143 PolarHBondContact O-N 3.29Å; I143-M517 HydrophobicContact CD1-CB 3.81Å; I143-M517 HydrophobicContact CD1-CE 3.75Å; I143-M517 HydrophobicContact CD1-CG 3.64Å; I143-Q520 HydrophobicContact CG2-CB 4.35Å; I143-Q520 HydrophobicContact CG2-CG 3.75Å
144	L	69.1	Low	74.3	Confident	63 Å²	63	59.8 Å²	59.8	33%	0.33	35%	0.349	S	S	.	.			trans	-84.9	127.2	177.2	-71	174.8	0	0	0	110.8	D139 Q436 P443 V497	D139-L144 HydrophobicContact CB-CB 4.11Å; D139-L144 HydrophobicContact CB-CD1 4.19Å; D139-L144 HydrophobicContact CB-CG 4.45Å; D139-L144 WeakPolarHBondContact OD2-CB 3.48Å; D139-L144 PolarHBondContact OD2-N 2.98Å; L144-Q436 HydrophobicContact CD1-CB 4.4Å; L144-Q436 HydrophobicContact CD1-CG 3.71Å; L144-Q436 HydrophobicContact CG-CG 4.49Å; L144-P443 HydrophobicContact CD2-CG 4.42Å; L144-V497 HydrophobicContact CD1-CG1 4.49Å
145	D	63	Low	73.4	Confident	125 Å²	125	58.8 Å²	58.8	67%	0.668	35%	0.345	S	S	*	.			trans	-86.1	127.4	150.2	-66.3	-43.2	0	0	0	106.6	D147	D145-D147 PolarHBondContact O-N 2.67Å
146	A	51.8	Low	73	Confident	35 Å²	35	57 Å²	57	29%	0.289	33%	0.334	S	S	.	.	S	Bend	trans	-59.9	-28.9	-175.1	0	0	0	0	0	112.6	P450	A146-P450 WeakPolarHBondContact O-CB 3.18Å
147	D	51.6	Low	72.3	Confident	32 Å²	32	56.5 Å²	56.5	17%	0.171	33%	0.329	C	S	.	.	S	Bend	trans	-107.1	143.3	-179.8	-69.1	-52.3	0	0	0	111.7	H134 D145 D149	H134-D147 IonicContact CE1-OD1 2.85Å; H134-D147 PolarHBondContact CE1-OD1 2.82Å; H134-D147 IonicContact CE1-OD2 3.85Å; H134-D147 PolarHBondContact CE1-OD2 3.18Å; H134-D147 IonicContact CG-OD2 3.67Å; H134-D147 VanDerWaalsContact ND1-CG 3.31Å; H134-D147 IonicContact ND1-OD1 3.78Å; H134-D147 PolarHBondContact ND1-OD1 2.88Å; H134-D147 VanDerWaalsContact ND1-OD1 3.13Å; H134-D147 IonicContact ND1-OD2 2.74Å; H134-D147 PolarHBondContact ND1-OD2 3.16Å; D145-D147 PolarHBondContact O-N 2.67Å; D147-D149 CarbonylContact C-O 3.49Å; D147-D149 WeakPolarHBondContact CB-O 3.25Å; D147-D149 PolarHBondContact O-N 3.21Å
148	L	53.5	Low	71.3	Confident	91 Å²	91	54.3 Å²	54.3	48%	0.476	32%	0.324	S	S	.	.	S	Bend	trans	-64.8	-31.3	174.3	-67.5	172.8	0	0	0	111.7	R444	L148-R444 HydrophobicContact CD2-CB 3.62Å
149	D	53.2	Low	70.4	Confident	131 Å²	131	56.9 Å²	56.9	70%	0.701	34%	0.34	S	S	*	.	S	Bend	trans	-90.8	134.5	163.8	-64.6	-38.6	0	0	0	107.1	D147 F151	D147-D149 CarbonylContact C-O 3.49Å; D147-D149 WeakPolarHBondContact CB-O 3.25Å; D147-D149 PolarHBondContact O-N 3.21Å; D149-F151 PolarHBondContact O-N 2.96Å
150	S	52.6	Low	69.4	Low	111 Å²	111	59.5 Å²	59.5	78%	0.776	35%	0.353	S	S	*	.			trans	-70.7	36.2	-177.2	29.3	0	0	0	0	113.8	V152	S150-V152 PolarHBondContact O-N 2.93Å
151	F	60	Low	68.4	Low	126 Å²	126	64.4 Å²	64.4	55%	0.553	38%	0.378	S	S	*	.			trans	-84.1	99.2	-174.4	-175.9	-100.5	0	0	0	110.7	D149 P153	D149-F151 PolarHBondContact O-N 2.96Å; F151-P153 HydrophobicContact CE1-CB 4.41Å; F151-P153 WeakPolarHBondContact O-CD 3.34Å
152	V	65.6	Low	67.7	Low	77 Å²	77	66 Å²	66	47%	0.467	39%	0.385	S	S	.	.			trans	-75.1	123.9	161.4	179.9	0	0	0	0	107.8	V135 S150 S154 T158	V135-V152 HydrophobicContact CG1-CG1 3.98Å; S150-V152 PolarHBondContact O-N 2.93Å; V152-S154 PolarHBondContact O-N 2.63Å; V152-S154 VanDerWaalsContact O-N 3.13Å; V152-T158 HydrophobicContact CG1-CG2 4.34Å
153	P	67.1	Low	67.3	Low	3 Å²	3	62.9 Å²	62.9	2%	0.019	35%	0.352	C	S	.	.			trans	-50.8	122.9	178	-27.9	34.7	0	0	0	111.9	R131 H134 F151 D155 L156	R131-P153 HydrophobicContact CB-CG 4.32Å; H134-P153 HydrophobicContact CB-CG 4.15Å; F151-P153 HydrophobicContact CE1-CB 4.41Å; F151-P153 WeakPolarHBondContact O-CD 3.34Å; P153-D155 WeakPolarHBondContact CB-OD1 3.42Å; P153-D155 PolarHBondContact O-N 3.29Å; P153-L156 HydrophobicContact CB-CD1 3.97Å; P153-L156 HydrophobicContact CB-CG 4.07Å; P153-L156 HydrophobicContact CG-CD1 4.01Å; P153-L156 PolarHBondContact O-N 3.2Å
154	S	67	Low	67.2	Low	61 Å²	61	62.2 Å²	62.2	43%	0.427	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-18.7	-176.5	57.1	0	0	0	0	113	V152	V152-S154 PolarHBondContact O-N 2.63Å; V152-S154 VanDerWaalsContact O-N 3.13Å
155	D	69.9	Low	67.9	Low	25 Å²	25	65.1 Å²	65.1	13%	0.134	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	3.5	-175.9	62	-1.9	0	0	0	113.6	R131 P153 F165 Y166	R131-D155 IonicContact CZ-OD1 2.89Å; R131-D155 IonicContact CZ-OD2 3.43Å; R131-D155 IonicContact NE-OD1 3.08Å; R131-D155 PolarHBondContact NE-OD1 2.84Å; R131-D155 IonicContact NE-OD2 3.84Å; R131-D155 PolarHBondContact NE-OD2 2.86Å; R131-D155 VanDerWaalsContact NE-OD2 3.12Å; R131-D155 IonicContact NH2-OD1 3.4Å; R131-D155 IonicContact NH2-OD2 3.19Å; R131-D155 PolarHBondContact NH2-OD2 3.18Å; P153-D155 WeakPolarHBondContact CB-OD1 3.42Å; P153-D155 PolarHBondContact O-N 3.29Å; D155-F165 HydrophobicContact CB-CD1 3.76Å; D155-F165 HydrophobicContact CB-CE1 3.39Å; D155-F165 HydrophobicContact CB-CZ 3.86Å; D155-Y166 WeakPolarHBondContact O-CE2 3.49Å; D155-Y166 VanDerWaalsContact O-CZ 3.24Å; D155-Y166 PolarHBondContact O-OH 3.07Å
156	L	79	Confident	68.9	Low	0 Å²	0	60.6 Å²	60.6	0%	0	34%	0.343	C	S	.	.	S	Bend	trans	-94.2	134.4	167.1	-67.8	174.7	0	0	0	110.5	A127 Y128 R131 V135 P153 T158 K162	A127-L156 HydrophobicContact CB-CD2 4.23Å; Y128-L156 HydrophobicContact CD1-CD2 4.31Å; Y128-L156 HydrophobicContact CD2-CD2 4.06Å; Y128-L156 HydrophobicContact CE2-CD2 4.33Å; Y128-L156 HydrophobicContact CG-CD2 4.05Å; R131-L156 HydrophobicContact CB-CD1 4.04Å; R131-L156 HydrophobicContact CB-CG 4.45Å; R131-L156 WeakPolarHBondContact O-CD1 3.17Å; V135-L156 HydrophobicContact CG1-CD1 3.99Å; V135-L156 HydrophobicContact CG2-CD1 3.82Å; P153-L156 HydrophobicContact CB-CD1 3.97Å; P153-L156 HydrophobicContact CB-CG 4.07Å; P153-L156 HydrophobicContact CG-CD1 4.01Å; P153-L156 PolarHBondContact O-N 3.2Å; L156-T158 VanDerWaalsContact C-N 3.28Å; L156-T158 PolarHBondContact O-N 3.35Å; L156-T158 PolarHBondContact O-OG1 2.67Å; L156-K162 WeakPolarHBondContact O-CD 3.47Å
157	I	76.8	Confident	70.5	Confident	8 Å²	8	60.4 Å²	60.4	4%	0.041	35%	0.345	C	S	.	.			trans	-77	84.5	179	-50.8	-60.2	0	0	0	108.5	L124 Y128 K162 L163 Y166 I198	L124-I157 HydrophobicContact CD1-CD1 4.19Å; L124-I157 HydrophobicContact CD1-CG1 3.43Å; L124-I157 VanDerWaalsContact CD1-CG1 3.43Å; Y128-I157 WeakPolarHBondContact OH-CB 3.22Å; Y128-I157 PolarHBondContact OH-O 3.28Å; I157-K162 VanDerWaalsContact CD1-C 3.42Å; I157-K162 HydrophobicContact CD1-CB 4Å; I157-K162 WeakPolarHBondContact CD1-O 3.32Å; I157-L163 HydrophobicContact CD1-CD2 3.8Å; I157-L163 HydrophobicContact CD1-CG 4.2Å; I157-L163 HydrophobicContact CG1-CD2 4.03Å; I157-L163 HydrophobicContact CG2-CD2 4.15Å; I157-L163 HydrophobicContact CG2-CG 4.28Å; I157-Y166 HydrophobicContact CD1-CD2 4.02Å; I157-Y166 HydrophobicContact CD1-CE2 4.05Å; I157-I198 HydrophobicContact CG2-CD1 4.49Å
158	T	71.8	Confident	72.3	Confident	64 Å²	64	58.9 Å²	58.9	39%	0.393	34%	0.336	S	S	.	.	S	Bend	trans	-95.1	-17.5	173.9	37.5	0	0	0	0	111.6	V135 V152 L156 K162	V135-T158 HydrophobicContact CB-CG2 4.43Å; V135-T158 HydrophobicContact CG1-CG2 4.12Å; V152-T158 HydrophobicContact CG1-CG2 4.34Å; L156-T158 VanDerWaalsContact C-N 3.28Å; L156-T158 PolarHBondContact O-N 3.35Å; L156-T158 PolarHBondContact O-OG1 2.67Å; T158-K162 WeakPolarHBondContact OG1-CD 3.43Å; T158-K162 WeakPolarHBondContact OG1-CE 2.95Å; T158-K162 PolarHBondContact OG1-NZ 3.01Å
159	T	74.1	Confident	73.9	Confident	67 Å²	67	59.9 Å²	59.9	41%	0.411	34%	0.339	S	S	.	.	S	Bend	trans	-147.1	154.7	174.4	54.8	0	0	0	0	109.3	D161 K162	T159-D161 WeakPolarHBondContact CB-OD1 3.28Å; T159-D161 PolarHBondContact O-N 2.79Å; T159-D161 PolarHBondContact OG1-OD1 2.98Å; T159-K162 WeakPolarHBondContact O-CB 3.42Å; T159-K162 PolarHBondContact O-N 3.39Å; T159-K162 VanDerWaalsContact O-N 3.1Å
160	I	73.8	Confident	75.6	Confident	81 Å²	81	60 Å²	60	42%	0.415	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-64.8	-28.2	-171.2	-158.4	160.4	0	0	0	113.4	K162 L163 E170 L173	I160-K162 PolarHBondContact O-N 2.9Å; I160-L163 HydrophobicContact CG1-CD1 3.88Å; I160-L163 WeakPolarHBondContact O-CB 3.38Å; I160-L163 WeakPolarHBondContact O-CG 3.24Å; I160-L163 PolarHBondContact O-N 2.6Å; I160-E170 HydrophobicContact CD1-CB 3.85Å; I160-E170 HydrophobicContact CD1-CG 3.63Å; I160-E170 HydrophobicContact CG1-CB 4.22Å; I160-L173 HydrophobicContact CD1-CD1 3.98Å
161	D	71.1	Confident	77.4	Confident	119 Å²	119	59.2 Å²	59.2	64%	0.636	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-65	-25.3	176.6	57.7	-64.4	0	0	0	112.7	T159 L163 G164	T159-D161 WeakPolarHBondContact CB-OD1 3.28Å; T159-D161 PolarHBondContact O-N 2.79Å; T159-D161 PolarHBondContact OG1-OD1 2.98Å; D161-L163 PolarHBondContact O-N 3.46Å; D161-G164 PolarHBondContact O-N 2.84Å
162	K	79.4	Confident	78.9	Confident	43 Å²	43	53.7 Å²	53.7	19%	0.187	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-71.1	-12.4	176.6	-67.5	-171.9	175.8	-174.9	0	113.9	L156 I157 T158 T159 I160 G164 F165	L156-K162 WeakPolarHBondContact O-CD 3.47Å; I157-K162 VanDerWaalsContact CD1-C 3.42Å; I157-K162 HydrophobicContact CD1-CB 4Å; I157-K162 WeakPolarHBondContact CD1-O 3.32Å; T158-K162 WeakPolarHBondContact OG1-CD 3.43Å; T158-K162 WeakPolarHBondContact OG1-CE 2.95Å; T158-K162 PolarHBondContact OG1-NZ 3.01Å; T159-K162 WeakPolarHBondContact O-CB 3.42Å; T159-K162 PolarHBondContact O-N 3.39Å; T159-K162 VanDerWaalsContact O-N 3.1Å; I160-K162 PolarHBondContact O-N 2.9Å; K162-G164 PolarHBondContact O-N 2.75Å; K162-F165 VanDerWaalsContact O-CB 3.28Å; K162-F165 WeakPolarHBondContact O-CB 3.23Å; K162-F165 PolarHBondContact O-N 3.05Å; K162-F165 VanDerWaalsContact O-N 3.08Å
163	L	80.2	Confident	80.1	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.01	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-57.9	-31.5	171.2	-71.6	172.2	0	0	0	111.5	I157 I160 D161 F165 Y166 L168 L173 I198	I157-L163 HydrophobicContact CD1-CD2 3.8Å; I157-L163 HydrophobicContact CD1-CG 4.2Å; I157-L163 HydrophobicContact CG1-CD2 4.03Å; I157-L163 HydrophobicContact CG2-CD2 4.15Å; I157-L163 HydrophobicContact CG2-CG 4.28Å; I160-L163 HydrophobicContact CG1-CD1 3.88Å; I160-L163 WeakPolarHBondContact O-CB 3.38Å; I160-L163 WeakPolarHBondContact O-CG 3.24Å; I160-L163 PolarHBondContact O-N 2.6Å; D161-L163 PolarHBondContact O-N 3.46Å; L163-F165 PolarHBondContact O-N 3.09Å; L163-Y166 PolarHBondContact O-N 3.27Å; L163-L168 CarbonylContact C-O 3.54Å; L163-L168 HydrophobicContact CB-CB 4.22Å; L163-L168 WeakPolarHBondContact CB-O 3.35Å; L163-L168 HydrophobicContact CD2-CB 4.46Å; L163-L168 PolarHBondContact O-N 2.7Å; L163-L168 VanDerWaalsContact O-O 3.12Å; L163-L173 HydrophobicContact CD1-CD2 4.09Å; L163-L173 HydrophobicContact CD1-CG 4.48Å; L163-I198 HydrophobicContact CD2-CD1 3.86Å
164	G	80.9	Confident	81.4	Confident	43 Å²	43	55.6 Å²	55.6	44%	0.443	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-60.4	-25	177.6	0	0	0	0	0	113.9	D161 K162 Y166 G167 L168	D161-G164 PolarHBondContact O-N 2.84Å; K162-G164 PolarHBondContact O-N 2.75Å; G164-Y166 PolarHBondContact O-N 3.21Å; G164-G167 PolarHBondContact O-N 3.23Å; G164-L168 PolarHBondContact N-O 2.95Å
165	F	83.4	Confident	82.7	Confident	123 Å²	123	56.9 Å²	56.9	54%	0.539	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-59.2	-30.7	174.1	-175.2	-92.7	0	0	0	112.2	D155 K162 L163	D155-F165 HydrophobicContact CB-CD1 3.76Å; D155-F165 HydrophobicContact CB-CE1 3.39Å; D155-F165 HydrophobicContact CB-CZ 3.86Å; K162-F165 VanDerWaalsContact O-CB 3.28Å; K162-F165 WeakPolarHBondContact O-CB 3.23Å; K162-F165 PolarHBondContact O-N 3.05Å; K162-F165 VanDerWaalsContact O-N 3.08Å; L163-F165 PolarHBondContact O-N 3.09Å
166	Y	85	Confident	83.9	Confident	30 Å²	30	60.1 Å²	60.1	12%	0.118	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-98.3	5.8	178.8	-65.8	-80.5	0	0	0	113.1	A120 L124 A127 D155 I157 L163 G164 L168	A120-Y166 VanDerWaalsContact CB-O 3.29Å; A120-Y166 WeakPolarHBondContact CB-O 3.22Å; L124-Y166 HydrophobicContact CB-CD1 4.44Å; L124-Y166 HydrophobicContact CB-CE1 4.24Å; L124-Y166 HydrophobicContact CB-CE2 4.47Å; L124-Y166 HydrophobicContact CD1-CD2 4.27Å; L124-Y166 HydrophobicContact CD1-CE2 3.76Å; A127-Y166 WeakPolarHBondContact CB-OH 3.41Å; D155-Y166 WeakPolarHBondContact O-CE2 3.49Å; D155-Y166 VanDerWaalsContact O-CZ 3.24Å; D155-Y166 PolarHBondContact O-OH 3.07Å; I157-Y166 HydrophobicContact CD1-CD2 4.02Å; I157-Y166 HydrophobicContact CD1-CE2 4.05Å; L163-Y166 PolarHBondContact O-N 3.27Å; G164-Y166 PolarHBondContact O-N 3.21Å; Y166-L168 PolarHBondContact O-N 3.38Å
167	G	85.1	Confident	84.6	Confident	31 Å²	31	60.4 Å²	60.4	32%	0.32	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	22.4	-172.8	0	0	0	0	0	113.7	K113 G164	K113-G167 PolarHBondContact NZ-O 3.07Å; G164-G167 PolarHBondContact O-N 3.23Å
168	L	88.3	Confident	85.4	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	36%	0.356	C	S	.	.			trans	-104.3	154.9	176	-61.6	172.8	0	0	0	110.1	D117 A120 V121 L163 G164 Y166 L194	D117-L168 HydrophobicContact CB-CD2 4.27Å; A120-L168 HydrophobicContact CB-CD1 4.29Å; A120-L168 HydrophobicContact CB-CD2 4.36Å; A120-L168 HydrophobicContact CB-CG 4.22Å; V121-L168 HydrophobicContact CG2-CD1 4.1Å; L163-L168 CarbonylContact C-O 3.54Å; L163-L168 HydrophobicContact CB-CB 4.22Å; L163-L168 WeakPolarHBondContact CB-O 3.35Å; L163-L168 HydrophobicContact CD2-CB 4.46Å; L163-L168 PolarHBondContact O-N 2.7Å; L163-L168 VanDerWaalsContact O-O 3.12Å; G164-L168 PolarHBondContact N-O 2.95Å; Y166-L168 PolarHBondContact O-N 3.38Å; L168-L194 HydrophobicContact CD1-CD1 4.38Å; L168-L194 HydrophobicContact CD1-CD2 4.08Å
169	H	88.6	Confident	86.5	Confident	113 Å²	113	63.3 Å²	63.3	52%	0.523	34%	0.342	S	S	.	.			trans	-130.9	166.1	-178.9	-59.4	-64.1	0	0	0	112	S171 D172	H169-S171 PolarHBondContact O-N 3.05Å; H169-S171 VanDerWaalsContact O-N 3.17Å; H169-D172 PolarHBondContact N-OD2 2.79Å; H169-D172 VanDerWaalsContact O-CB 3.28Å; H169-D172 WeakPolarHBondContact O-CB 3.5Å; H169-D172 PolarHBondContact O-N 2.65Å
170	E	89	Confident	87.3	Confident	132 Å²	132	61.4 Å²	61.4	62%	0.617	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-54.7	-34.3	175.5	175	168.6	-160.5	0	0	112.6	I160 D172 L173	I160-E170 HydrophobicContact CD1-CB 3.85Å; I160-E170 HydrophobicContact CD1-CG 3.63Å; I160-E170 HydrophobicContact CG1-CB 4.22Å; E170-D172 PolarHBondContact O-N 3.34Å; E170-D172 VanDerWaalsContact O-N 3.1Å; E170-L173 HydrophobicContact CG-CD1 4.13Å; E170-L173 WeakPolarHBondContact O-CB 3.3Å; E170-L173 WeakPolarHBondContact O-CG 3.39Å; E170-L173 PolarHBondContact O-N 3.23Å
171	S	89.3	Confident	87.9	Confident	96 Å²	96	64 Å²	64	67%	0.671	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-61.4	-17.1	174.9	55.3	0	0	0	0	114.2	H169	H169-S171 PolarHBondContact O-N 3.05Å; H169-S171 VanDerWaalsContact O-N 3.17Å
172	D	90.8	Very high	88.8	Confident	9 Å²	9	60.6 Å²	60.6	5%	0.048	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-91.6	-8.6	-177.9	-55.4	-39.9	0	0	0	112.8	H169 E170 D174 K175 L194	H169-D172 PolarHBondContact N-OD2 2.79Å; H169-D172 VanDerWaalsContact O-CB 3.28Å; H169-D172 WeakPolarHBondContact O-CB 3.5Å; H169-D172 PolarHBondContact O-N 2.65Å; E170-D172 PolarHBondContact O-N 3.34Å; E170-D172 VanDerWaalsContact O-N 3.1Å; D172-D174 PolarHBondContact O-N 3.46Å; D172-K175 HydrophobicContact CB-CD 3.96Å; D172-K175 VanDerWaalsContact O-CB 3.3Å; D172-K175 WeakPolarHBondContact O-CB 3.48Å; D172-K175 PolarHBondContact O-N 3.42Å; D172-K175 WeakPolarHBondContact OD1-CE 3.48Å; D172-K175 IonicContact OD1-NZ 3.15Å; D172-K175 PolarHBondContact OD1-NZ 3.37Å; D172-L194 HydrophobicContact CB-CD2 4.1Å
173	L	91.6	Very high	89.5	Confident	12 Å²	12	59.1 Å²	59.1	6%	0.063	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-35.5	-175.3	-75.4	178.4	0	0	0	113.4	I160 L163 E170 L194 R195 I198	I160-L173 HydrophobicContact CD1-CD1 3.98Å; L163-L173 HydrophobicContact CD1-CD2 4.09Å; L163-L173 HydrophobicContact CD1-CG 4.48Å; E170-L173 HydrophobicContact CG-CD1 4.13Å; E170-L173 WeakPolarHBondContact O-CB 3.3Å; E170-L173 WeakPolarHBondContact O-CG 3.39Å; E170-L173 PolarHBondContact O-N 3.23Å; L173-L194 HydrophobicContact CD2-CD2 4.35Å; L173-L194 HydrophobicContact CD2-CG 4.27Å; L173-L194 PolarHBondContact O-N 3.27Å; L173-R195 HydrophobicContact CB-CB 4.25Å; L173-R195 VanDerWaalsContact O-CB 3.32Å; L173-R195 WeakPolarHBondContact O-CB 3.49Å; L173-R195 PolarHBondContact O-N 3.23Å; L173-I198 HydrophobicContact CD2-CD1 4.01Å
174	D	94.4	Very high	90.2	Very high	109 Å²	109	61.8 Å²	61.8	58%	0.583	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	1.8	-178.6	-55.9	-47.4	0	0	0	112.7	D172 R195	D172-D174 PolarHBondContact O-N 3.46Å; D174-R195 IonicContact OD1-CZ 2.74Å; D174-R195 IonicContact OD1-NE 3.35Å; D174-R195 PolarHBondContact OD1-NE 3.03Å; D174-R195 IonicContact OD1-NH2 3.47Å; D174-R195 PolarHBondContact OD1-NH2 3.39Å; D174-R195 VanDerWaalsContact OD1-NH2 3.08Å; D174-R195 IonicContact OD2-NH2 2.76Å; D174-R195 PolarHBondContact OD2-NH2 3.01Å
175	K	94.1	Very high	90.9	Very high	87 Å²	87	59.8 Å²	59.8	38%	0.378	32%	0.32	S	S	.	.			trans	-70.6	141.2	169.5	-68.3	179	175.6	171.1	0	110.1	D117 D172 F177 S193 L194	D117-K175 IonicContact OD2-NZ 2.71Å; D172-K175 HydrophobicContact CB-CD 3.96Å; D172-K175 VanDerWaalsContact O-CB 3.3Å; D172-K175 WeakPolarHBondContact O-CB 3.48Å; D172-K175 PolarHBondContact O-N 3.42Å; D172-K175 WeakPolarHBondContact OD1-CE 3.48Å; D172-K175 IonicContact OD1-NZ 3.15Å; D172-K175 PolarHBondContact OD1-NZ 3.37Å; K175-F177 HydrophobicContact CB-CD2 4.49Å; K175-F177 HydrophobicContact CB-CE2 3.69Å; K175-F177 HydrophobicContact CB-CZ 4.08Å; K175-F177 HydrophobicContact CD-CZ 4.39Å; K175-F177 WeakPolarHBondContact O-CD2 3.32Å; K175-S193 CarbonylContact O-C 2.98Å; K175-S193 VanDerWaalsContact O-CA 3.23Å; K175-S193 WeakPolarHBondContact O-CA 3.41Å; K175-L194 PolarHBondContact O-N 2.86Å
176	V	94.4	Very high	91.3	Very high	93 Å²	93	54 Å²	54	56%	0.564	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	131.4	-179.9	178.5	0	0	0	0	110.4	L192	V176-L192 WeakPolarHBondContact CA-O 3.41Å
177	F	94.6	Very high	91.6	Very high	7 Å²	7	54.8 Å²	54.8	3%	0.031	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	136.8	179.6	-65.5	-87.7	0	0	0	110.4	D117 V121 K175 L179 S191 L192 L194 I197	D117-F177 HydrophobicContact CB-CE1 3.8Å; D117-F177 HydrophobicContact CB-CZ 4.26Å; V121-F177 HydrophobicContact CB-CD1 4.29Å; V121-F177 HydrophobicContact CB-CG 4.4Å; V121-F177 HydrophobicContact CG1-CB 4.24Å; V121-F177 HydrophobicContact CG1-CG 4.34Å; V121-F177 HydrophobicContact CG2-CD1 3.75Å; V121-F177 HydrophobicContact CG2-CD2 4.03Å; V121-F177 HydrophobicContact CG2-CE1 3.8Å; V121-F177 HydrophobicContact CG2-CE2 4.09Å; V121-F177 HydrophobicContact CG2-CG 3.86Å; V121-F177 HydrophobicContact CG2-CZ 3.96Å; K175-F177 HydrophobicContact CB-CD2 4.49Å; K175-F177 HydrophobicContact CB-CE2 3.69Å; K175-F177 HydrophobicContact CB-CZ 4.08Å; K175-F177 HydrophobicContact CD-CZ 4.39Å; K175-F177 WeakPolarHBondContact O-CD2 3.32Å; F177-L179 PolarHBondContact O-N 3.49Å; F177-S191 CarbonylContact O-C 3.53Å; F177-S191 WeakPolarHBondContact O-CA 3.43Å; F177-S191 VanDerWaalsContact O-CB 3.32Å; F177-S191 WeakPolarHBondContact O-CB 3.29Å; F177-L192 PolarHBondContact N-O 3.39Å; F177-L192 PolarHBondContact O-N 2.59Å; F177-L194 HydrophobicContact CD2-CB 3.97Å; F177-L194 HydrophobicContact CE2-CB 3.74Å; F177-L194 HydrophobicContact CE2-CD2 4.47Å; F177-I197 HydrophobicContact CB-CD1 3.98Å
178	Q	94.4	Very high	91.7	Very high	111 Å²	111	59.2 Å²	59.2	52%	0.519	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	129.5	168.3	-168	76.7	8.4	0	0	109.2	H118 T190	H118-Q178 PolarHBondContact CE1-N 2.81Å; Q178-T190 PolarHBondContact NE2-O 3.47Å
179	L	93.5	Very high	92	Very high	21 Å²	21	63.8 Å²	63.8	11%	0.11	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-76.9	139.1	177.6	-63.1	179.5	0	0	0	110.7	F177 T183 I185 G186 T190 L192 I197	F177-L179 PolarHBondContact O-N 3.49Å; L179-T183 HydrophobicContact CB-CG2 4.14Å; L179-T183 HydrophobicContact CD2-CG2 4.43Å; L179-I185 HydrophobicContact CD1-CG1 4.12Å; L179-I185 HydrophobicContact CD2-CD1 4.08Å; L179-I185 HydrophobicContact CD2-CG1 4.2Å; L179-G186 VanDerWaalsContact CD1-CA 3.4Å; L179-T190 PolarHBondContact N-O 2.78Å; L179-L192 HydrophobicContact CD1-CD1 3.88Å; L179-L192 HydrophobicContact CD1-CG 4.01Å; L179-L192 HydrophobicContact CD2-CB 4.41Å; L179-L192 HydrophobicContact CD2-CD1 4.29Å; L179-L192 HydrophobicContact CD2-CG 4.46Å; L179-L192 HydrophobicContact CG-CG 4.45Å; L179-I197 HydrophobicContact CD2-CD1 3.79Å; L179-I197 HydrophobicContact CD2-CG1 3.87Å
180	P	91.4	Very high	92.1	Very high	27 Å²	27	62.9 Å²	62.9	18%	0.175	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-69	154.1	172.3	30.5	-34.3	0	0	0	110.3	Q122 I125 T182 T183	Q122-P180 HydrophobicContact CG-CB 4.47Å; Q122-P180 HydrophobicContact CG-CG 4.42Å; I125-P180 HydrophobicContact CD1-CG 3.91Å; P180-T182 PolarHBondContact O-N 3.48Å; P180-T183 HydrophobicContact CG-CG2 3.94Å; P180-T183 WeakPolarHBondContact O-CG2 3.44Å; P180-T183 PolarHBondContact O-N 3.44Å
181	T	87.3	Confident	92.4	Very high	135 Å²	135	58.6 Å²	58.6	83%	0.828	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-5.2	175.7	54.4	0	0	0	0	113.8
182	T	89.4	Confident	92.8	Very high	49 Å²	49	54.3 Å²	54.3	30%	0.301	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	11.1	179.5	51	0	0	0	0	113.1	Q129 P180 R226	Q129-T182 PolarHBondContact NE2-O 3.11Å; P180-T182 PolarHBondContact O-N 3.48Å; T182-R226 WeakPolarHBondContact O-CD 3.05Å; T182-R226 PolarHBondContact O-NE 2.99Å
183	T	93.8	Very high	93	Very high	12 Å²	12	55.5 Å²	55.5	7%	0.074	33%	0.325	C	S	.	.			trans	-138.1	150.3	171.4	-169.5	0	0	0	0	112	I125 L179 P180 I185 E230	I125-T183 HydrophobicContact CD1-CG2 4.28Å; I125-T183 HydrophobicContact CG2-CG2 4.43Å; L179-T183 HydrophobicContact CB-CG2 4.14Å; L179-T183 HydrophobicContact CD2-CG2 4.43Å; P180-T183 HydrophobicContact CG-CG2 3.94Å; P180-T183 WeakPolarHBondContact O-CG2 3.44Å; P180-T183 PolarHBondContact O-N 3.44Å; T183-I185 HydrophobicContact CG2-CD1 4.42Å; T183-I185 HydrophobicContact CG2-CG1 4Å; T183-I185 PolarHBondContact OG1-N 2.95Å; T183-E230 WeakPolarHBondContact CA-OE2 3.27Å; T183-E230 VanDerWaalsContact OG1-CD 3.25Å; T183-E230 PolarHBondContact OG1-OE1 3.48Å; T183-E230 PolarHBondContact OG1-OE2 2.96Å; T183-E230 VanDerWaalsContact OG1-OE2 3.09Å
184	F	95.4	Very high	93.2	Very high	58 Å²	58	54.9 Å²	54.9	25%	0.254	32%	0.322	S	S	.	.			trans	-115.6	9.4	177.6	-58.2	-92.1	0	0	0	112.6	G186 G187 R226 Q227 E230	F184-G186 PolarHBondContact O-N 2.68Å; F184-G187 PolarHBondContact O-N 3.29Å; F184-R226 HydrophobicContact CD2-CB 3.72Å; F184-R226 HydrophobicContact CE2-CB 3.94Å; F184-Q227 HydrophobicContact CD1-CB 4.41Å; F184-Q227 HydrophobicContact CD1-CG 4.31Å; F184-Q227 HydrophobicContact CD2-CB 4.13Å; F184-Q227 HydrophobicContact CE1-CB 4.37Å; F184-Q227 HydrophobicContact CE1-CG 4.38Å; F184-Q227 HydrophobicContact CE2-CB 4.1Å; F184-Q227 HydrophobicContact CG-CB 4.28Å; F184-Q227 HydrophobicContact CZ-CB 4.22Å; F184-E230 HydrophobicContact CB-CB 4.04Å; F184-E230 PolarHBondContact N-OE2 3.4Å
185	I	94.9	Very high	93.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.7	177.8	62.8	177.4	0	0	0	112.7	L179 T183 G187 L192 I197 R200 L201 E230 P232	L179-I185 HydrophobicContact CD1-CG1 4.12Å; L179-I185 HydrophobicContact CD2-CD1 4.08Å; L179-I185 HydrophobicContact CD2-CG1 4.2Å; T183-I185 HydrophobicContact CG2-CD1 4.42Å; T183-I185 HydrophobicContact CG2-CG1 4Å; T183-I185 PolarHBondContact OG1-N 2.95Å; I185-G187 VanDerWaalsContact C-N 3.33Å; I185-L192 HydrophobicContact CG1-CD1 4.33Å; I185-I197 HydrophobicContact CD1-CB 4.36Å; I185-I197 HydrophobicContact CD1-CG1 4.36Å; I185-I197 HydrophobicContact CD1-CG2 3.9Å; I185-R200 HydrophobicContact CB-CB 4.04Å; I185-R200 HydrophobicContact CG2-CB 4.36Å; I185-R200 WeakPolarHBondContact O-CD 3.39Å; I185-R200 PolarHBondContact O-NH1 3.42Å; I185-L201 HydrophobicContact CD1-CD2 4.21Å; I185-L201 HydrophobicContact CD1-CG 4.14Å; I185-L201 HydrophobicContact CG2-CD2 4.01Å; I185-E230 WeakPolarHBondContact CA-O 3.38Å; I185-E230 HydrophobicContact CG2-CB 3.81Å; I185-E230 HydrophobicContact CG2-CG 4.01Å; I185-P232 WeakPolarHBondContact O-CG 3.29Å
186	G	91.6	Very high	93.3	Very high	3 Å²	3	53 Å²	53	3%	0.031	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-20.7	175.7	0	0	0	0	0	114.6	L179 F184 S188 E189 R200	L179-G186 VanDerWaalsContact CD1-CA 3.4Å; F184-G186 PolarHBondContact O-N 2.68Å; G186-S188 PolarHBondContact O-N 3.26Å; G186-S188 VanDerWaalsContact O-N 3.1Å; G186-E189 WeakPolarHBondContact CA-O 3.48Å; G186-E189 WeakPolarHBondContact O-CB 3.38Å; G186-E189 PolarHBondContact O-N 3.29Å; G186-R200 PolarHBondContact O-NH1 2.99Å
187	G	91	Very high	93.3	Very high	45 Å²	45	48.5 Å²	48.5	46%	0.464	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	-111.9	-166.2	0	0	0	0	0	110.3	F184 I185	F184-G187 PolarHBondContact O-N 3.29Å; I185-G187 VanDerWaalsContact C-N 3.33Å
188	S	88.8	Confident	93.3	Very high	124 Å²	124	48.8 Å²	48.8	87%	0.867	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-10.8	173.8	58	0	0	0	0	114.2	G186	G186-S188 PolarHBondContact O-N 3.26Å; G186-S188 VanDerWaalsContact O-N 3.1Å
189	E	92.9	Very high	93.3	Very high	97 Å²	97	49.1 Å²	49.1	45%	0.453	28%	0.277	S	S	.	.			trans	-82.3	132.1	179.4	-57.7	174.1	-117.5	0	0	110.3	G186 L192 R200	G186-E189 WeakPolarHBondContact CA-O 3.48Å; G186-E189 WeakPolarHBondContact O-CB 3.38Å; G186-E189 PolarHBondContact O-N 3.29Å; E189-L192 HydrophobicContact CB-CD2 4.23Å; E189-L192 WeakPolarHBondContact OE2-CD2 3.4Å; E189-R200 IonicContact OE1-CZ 3.77Å; E189-R200 IonicContact OE1-NH1 3.05Å; E189-R200 IonicContact OE1-NH2 3.12Å; E189-R200 PolarHBondContact OE1-NH2 3.41Å
190	T	91.8	Very high	93.3	Very high	93 Å²	93	49.7 Å²	49.7	57%	0.571	28%	0.278	S	S	*	.	S	Bend	trans	-94.1	-7.1	-179.2	54.1	0	0	0	0	113.7	Q178 L179	Q178-T190 PolarHBondContact NE2-O 3.47Å; L179-T190 PolarHBondContact N-O 2.78Å
191	S	95.4	Very high	93.5	Very high	42 Å²	42	48.4 Å²	48.4	29%	0.294	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	147.8	178.1	65.1	0	0	0	0	110.3	F177	F177-S191 CarbonylContact O-C 3.53Å; F177-S191 WeakPolarHBondContact O-CA 3.43Å; F177-S191 VanDerWaalsContact O-CB 3.32Å; F177-S191 WeakPolarHBondContact O-CB 3.29Å
192	L	96.3	Very high	93.7	Very high	7 Å²	7	45.1 Å²	45.1	4%	0.037	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	157.2	-178.9	-69.8	178.5	0	0	0	110.2	V176 F177 L179 I185 E189 E196 I197	V176-L192 WeakPolarHBondContact CA-O 3.41Å; F177-L192 PolarHBondContact N-O 3.39Å; F177-L192 PolarHBondContact O-N 2.59Å; L179-L192 HydrophobicContact CD1-CD1 3.88Å; L179-L192 HydrophobicContact CD1-CG 4.01Å; L179-L192 HydrophobicContact CD2-CB 4.41Å; L179-L192 HydrophobicContact CD2-CD1 4.29Å; L179-L192 HydrophobicContact CD2-CG 4.46Å; L179-L192 HydrophobicContact CG-CG 4.45Å; I185-L192 HydrophobicContact CG1-CD1 4.33Å; E189-L192 HydrophobicContact CB-CD2 4.23Å; E189-L192 WeakPolarHBondContact OE2-CD2 3.4Å; L192-E196 HydrophobicContact CB-CB 4.41Å; L192-E196 HydrophobicContact CB-CG 4.46Å; L192-E196 HydrophobicContact CD1-CG 4.21Å; L192-E196 HydrophobicContact CD2-CG 3.94Å; L192-E196 HydrophobicContact CG-CG 4.45Å; L192-I197 HydrophobicContact CB-CD1 4.25Å; L192-I197 HydrophobicContact CB-CG1 3.66Å; L192-I197 HydrophobicContact CD1-CG1 4.27Å
193	S	96.8	Very high	93.8	Very high	33 Å²	33	46.6 Å²	46.6	23%	0.231	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	150.1	167.2	65.7	0	0	0	0	110.7	K175 R195 E196 I197	K175-S193 CarbonylContact O-C 2.98Å; K175-S193 VanDerWaalsContact O-CA 3.23Å; K175-S193 WeakPolarHBondContact O-CA 3.41Å; S193-R195 PolarHBondContact O-N 3Å; S193-E196 WeakPolarHBondContact O-CA 3.27Å; S193-E196 PolarHBondContact O-N 2.95Å; S193-E196 WeakPolarHBondContact OG-CB 3.47Å; S193-E196 PolarHBondContact OG-N 3.11Å; S193-I197 WeakPolarHBondContact O-CG1 3.32Å; S193-I197 PolarHBondContact O-N 2.99Å
194	L	94.9	Very high	93.8	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-54.9	-39.3	177.3	175.3	60.8	0	0	0	112.2	V121 L124 L168 D172 L173 K175 F177 E196 I197 I198	V121-L194 HydrophobicContact CG2-CD1 3.97Å; L124-L194 HydrophobicContact CD2-CD1 3.88Å; L168-L194 HydrophobicContact CD1-CD1 4.38Å; L168-L194 HydrophobicContact CD1-CD2 4.08Å; D172-L194 HydrophobicContact CB-CD2 4.1Å; L173-L194 HydrophobicContact CD2-CD2 4.35Å; L173-L194 HydrophobicContact CD2-CG 4.27Å; L173-L194 PolarHBondContact O-N 3.27Å; K175-L194 PolarHBondContact O-N 2.86Å; F177-L194 HydrophobicContact CD2-CB 3.97Å; F177-L194 HydrophobicContact CE2-CB 3.74Å; F177-L194 HydrophobicContact CE2-CD2 4.47Å; L194-E196 VanDerWaalsContact C-N 3.3Å; L194-E196 PolarHBondContact O-N 3.02Å; L194-I197 PolarHBondContact O-N 3.11Å; L194-I198 HydrophobicContact CD1-CD1 3.93Å; L194-I198 HydrophobicContact CD1-CG1 4.14Å; L194-I198 HydrophobicContact CG-CD1 3.91Å; L194-I198 WeakPolarHBondContact O-CG1 3.4Å; L194-I198 PolarHBondContact O-N 3.12Å
195	R	94.9	Very high	93.8	Very high	117 Å²	117	44.2 Å²	44.2	44%	0.442	24%	0.241	S	C	.	.	H	α-helix	trans	-55.2	-46.1	173.3	-173.5	-175.6	-56.5	-77.4	0.6	111.9	L173 D174 S193 R199	L173-R195 HydrophobicContact CB-CB 4.25Å; L173-R195 VanDerWaalsContact O-CB 3.32Å; L173-R195 WeakPolarHBondContact O-CB 3.49Å; L173-R195 PolarHBondContact O-N 3.23Å; D174-R195 IonicContact OD1-CZ 2.74Å; D174-R195 IonicContact OD1-NE 3.35Å; D174-R195 PolarHBondContact OD1-NE 3.03Å; D174-R195 IonicContact OD1-NH2 3.47Å; D174-R195 PolarHBondContact OD1-NH2 3.39Å; D174-R195 VanDerWaalsContact OD1-NH2 3.08Å; D174-R195 IonicContact OD2-NH2 2.76Å; D174-R195 PolarHBondContact OD2-NH2 3.01Å; S193-R195 PolarHBondContact O-N 3Å; R195-R199 WeakPolarHBondContact O-CB 3.45Å; R195-R199 PolarHBondContact O-N 3.41Å
196	E	95.3	Very high	93.6	Very high	38 Å²	38	44.8 Å²	44.8	18%	0.178	25%	0.245	C	C	.	.	H	α-helix	trans	-73.2	-35.5	-179.3	-175.6	61.1	-173.8	0	0	111.9	L192 S193 L194 R199 R200	L192-E196 HydrophobicContact CB-CB 4.41Å; L192-E196 HydrophobicContact CB-CG 4.46Å; L192-E196 HydrophobicContact CD1-CG 4.21Å; L192-E196 HydrophobicContact CD2-CG 3.94Å; L192-E196 HydrophobicContact CG-CG 4.45Å; S193-E196 WeakPolarHBondContact O-CA 3.27Å; S193-E196 PolarHBondContact O-N 2.95Å; S193-E196 WeakPolarHBondContact OG-CB 3.47Å; S193-E196 PolarHBondContact OG-N 3.11Å; L194-E196 VanDerWaalsContact C-N 3.3Å; L194-E196 PolarHBondContact O-N 3.02Å; E196-R199 VanDerWaalsContact CD-NH2 3.34Å; E196-R199 PolarHBondContact O-N 3.43Å; E196-R199 IonicContact OE1-CZ 2.87Å; E196-R199 IonicContact OE1-NE 2.83Å; E196-R199 IonicContact OE1-NH2 3.13Å; E196-R199 PolarHBondContact OE1-NH2 2.92Å; E196-R199 IonicContact OE2-CZ 3.33Å; E196-R199 IonicContact OE2-NE 3.5Å; E196-R199 PolarHBondContact OE2-NE 3.18Å; E196-R199 IonicContact OE2-NH2 3.13Å; E196-R199 PolarHBondContact OE2-NH2 3.17Å; E196-R200 HydrophobicContact CG-CG 4.44Å; E196-R200 WeakPolarHBondContact O-CB 3.28Å; E196-R200 WeakPolarHBondContact O-CG 3.33Å; E196-R200 PolarHBondContact O-N 2.89Å; E196-R200 IonicContact OE1-CZ 2.79Å; E196-R200 IonicContact OE1-NE 3.49Å; E196-R200 PolarHBondContact OE1-NE 3.12Å; E196-R200 IonicContact OE1-NH2 2.77Å; E196-R200 PolarHBondContact OE1-NH2 3.04Å; E196-R200 VanDerWaalsContact OE1-NH2 3.15Å
197	I	95.4	Very high	93.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.2	-54.2	172.5	-67.9	172.8	0	0	0	110.1	V121 I125 F177 L179 I185 L192 S193 L194 R199 R200 L201	V121-I197 HydrophobicContact CG1-CD1 3.78Å; V121-I197 HydrophobicContact CG1-CG2 4.5Å; I125-I197 HydrophobicContact CD1-CG2 4.3Å; I125-I197 HydrophobicContact CG1-CG2 3.98Å; F177-I197 HydrophobicContact CB-CD1 3.98Å; L179-I197 HydrophobicContact CD2-CD1 3.79Å; L179-I197 HydrophobicContact CD2-CG1 3.87Å; I185-I197 HydrophobicContact CD1-CB 4.36Å; I185-I197 HydrophobicContact CD1-CG1 4.36Å; I185-I197 HydrophobicContact CD1-CG2 3.9Å; L192-I197 HydrophobicContact CB-CD1 4.25Å; L192-I197 HydrophobicContact CB-CG1 3.66Å; L192-I197 HydrophobicContact CD1-CG1 4.27Å; S193-I197 WeakPolarHBondContact O-CG1 3.32Å; S193-I197 PolarHBondContact O-N 2.99Å; L194-I197 PolarHBondContact O-N 3.11Å; I197-R199 PolarHBondContact O-N 3.31Å; I197-R200 PolarHBondContact O-N 3.04Å; I197-L201 HydrophobicContact CG2-CD1 3.73Å; I197-L201 HydrophobicContact CG2-CG 4.38Å; I197-L201 WeakPolarHBondContact O-CB 3.39Å; I197-L201 VanDerWaalsContact O-CG 3.26Å; I197-L201 WeakPolarHBondContact O-CG 3.46Å; I197-L201 PolarHBondContact O-N 3.08Å
198	I	94	Very high	93.9	Very high	13 Å²	13	48.5 Å²	48.5	7%	0.067	25%	0.249	C	C	.	.	H	α-helix	trans	-58.3	-49.7	179.3	-67.2	164.9	0	0	0	110.1	L124 I157 L163 L173 L194 R200 L201 E202	L124-I198 HydrophobicContact CD2-CD1 4.48Å; L124-I198 HydrophobicContact CD2-CG1 4.04Å; I157-I198 HydrophobicContact CG2-CD1 4.49Å; L163-I198 HydrophobicContact CD2-CD1 3.86Å; L173-I198 HydrophobicContact CD2-CD1 4.01Å; L194-I198 HydrophobicContact CD1-CD1 3.93Å; L194-I198 HydrophobicContact CD1-CG1 4.14Å; L194-I198 HydrophobicContact CG-CD1 3.91Å; L194-I198 WeakPolarHBondContact O-CG1 3.4Å; L194-I198 PolarHBondContact O-N 3.12Å; I198-R200 VanDerWaalsContact C-N 3.34Å; I198-R200 PolarHBondContact O-N 3.41Å; I198-L201 PolarHBondContact O-N 3.46Å; I198-E202 HydrophobicContact CG2-CG 4.19Å; I198-E202 WeakPolarHBondContact O-CB 3.49Å; I198-E202 WeakPolarHBondContact O-CG 3.44Å; I198-E202 PolarHBondContact O-N 3.09Å
199	R	93.9	Very high	94.3	Very high	118 Å²	118	43.4 Å²	43.4	45%	0.445	21%	0.212	S	C	.	.	H	α-helix	trans	-57.4	-43.8	179.6	-170.4	-172.4	75.1	87.9	1	112.5	R195 E196 I197 N203	R195-R199 WeakPolarHBondContact O-CB 3.45Å; R195-R199 PolarHBondContact O-N 3.41Å; E196-R199 VanDerWaalsContact CD-NH2 3.34Å; E196-R199 PolarHBondContact O-N 3.43Å; E196-R199 IonicContact OE1-CZ 2.87Å; E196-R199 IonicContact OE1-NE 2.83Å; E196-R199 IonicContact OE1-NH2 3.13Å; E196-R199 PolarHBondContact OE1-NH2 2.92Å; E196-R199 IonicContact OE2-CZ 3.33Å; E196-R199 IonicContact OE2-NE 3.5Å; E196-R199 PolarHBondContact OE2-NE 3.18Å; E196-R199 IonicContact OE2-NH2 3.13Å; E196-R199 PolarHBondContact OE2-NH2 3.17Å; I197-R199 PolarHBondContact O-N 3.31Å; R199-N203 PolarHBondContact NH1-ND2 3.24Å; R199-N203 WeakPolarHBondContact O-CB 3.35Å; R199-N203 PolarHBondContact O-N 3.02Å; R199-N203 PolarHBondContact O-ND2 3.41Å
200	R	94.8	Very high	94.4	Very high	33 Å²	33	38.8 Å²	38.8	13%	0.125	19%	0.19	C	C	.	.	H	α-helix	trans	-70.3	-39.9	179.4	-69.4	-169.2	-168.4	-175.1	7.8	111.5	I185 G186 E189 E196 I197 I198 N203 T204	I185-R200 HydrophobicContact CB-CB 4.04Å; I185-R200 HydrophobicContact CG2-CB 4.36Å; I185-R200 WeakPolarHBondContact O-CD 3.39Å; I185-R200 PolarHBondContact O-NH1 3.42Å; G186-R200 PolarHBondContact O-NH1 2.99Å; E189-R200 IonicContact OE1-CZ 3.77Å; E189-R200 IonicContact OE1-NH1 3.05Å; E189-R200 IonicContact OE1-NH2 3.12Å; E189-R200 PolarHBondContact OE1-NH2 3.41Å; E196-R200 HydrophobicContact CG-CG 4.44Å; E196-R200 WeakPolarHBondContact O-CB 3.28Å; E196-R200 WeakPolarHBondContact O-CG 3.33Å; E196-R200 PolarHBondContact O-N 2.89Å; E196-R200 IonicContact OE1-CZ 2.79Å; E196-R200 IonicContact OE1-NE 3.49Å; E196-R200 PolarHBondContact OE1-NE 3.12Å; E196-R200 IonicContact OE1-NH2 2.77Å; E196-R200 PolarHBondContact OE1-NH2 3.04Å; E196-R200 VanDerWaalsContact OE1-NH2 3.15Å; I197-R200 PolarHBondContact O-N 3.04Å; I198-R200 VanDerWaalsContact C-N 3.34Å; I198-R200 PolarHBondContact O-N 3.41Å; R200-N203 PolarHBondContact O-N 3.49Å; R200-T204 PolarHBondContact O-N 2.98Å; R200-T204 PolarHBondContact O-OG1 3.45Å
201	L	94.3	Very high	94.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63	-45.1	174.5	-69.1	169.5	0	0	0	112.1	I125 Y128 I185 I197 I198 N203 T204 Y205	I125-L201 HydrophobicContact CB-CD1 4.39Å; I125-L201 HydrophobicContact CG1-CD1 3.88Å; I125-L201 HydrophobicContact CG1-CD2 4.48Å; I125-L201 HydrophobicContact CG2-CD2 4.26Å; Y128-L201 HydrophobicContact CD1-CB 3.78Å; Y128-L201 HydrophobicContact CD2-CB 4.12Å; Y128-L201 HydrophobicContact CD2-CD1 3.81Å; Y128-L201 HydrophobicContact CE1-CB 4.19Å; Y128-L201 HydrophobicContact CE2-CD1 4.33Å; Y128-L201 HydrophobicContact CG-CB 3.74Å; Y128-L201 HydrophobicContact CG-CD1 4.12Å; Y128-L201 HydrophobicContact CG-CG 4.37Å; I185-L201 HydrophobicContact CD1-CD2 4.21Å; I185-L201 HydrophobicContact CD1-CG 4.14Å; I185-L201 HydrophobicContact CG2-CD2 4.01Å; I197-L201 HydrophobicContact CG2-CD1 3.73Å; I197-L201 HydrophobicContact CG2-CG 4.38Å; I197-L201 WeakPolarHBondContact O-CB 3.39Å; I197-L201 VanDerWaalsContact O-CG 3.26Å; I197-L201 WeakPolarHBondContact O-CG 3.46Å; I197-L201 PolarHBondContact O-N 3.08Å; I198-L201 PolarHBondContact O-N 3.46Å; L201-N203 VanDerWaalsContact C-N 3.32Å; L201-N203 PolarHBondContact O-N 2.95Å; L201-T204 PolarHBondContact O-N 3.47Å; L201-Y205 HydrophobicContact CD2-CD2 4.1Å; L201-Y205 HydrophobicContact CD2-CE2 3.99Å; L201-Y205 WeakPolarHBondContact O-CB 3.46Å; L201-Y205 PolarHBondContact O-N 3.06Å
202	E	92.1	Very high	94.8	Very high	66 Å²	66	32.8 Å²	32.8	31%	0.308	15%	0.151	S	C	.	.	H	α-helix	trans	-60.7	-41.8	174.9	-74.2	176.6	157.9	0	0	111.6	Y128 I198 T204 C206 Q207	Y128-E202 HydrophobicContact CE1-CG 3.8Å; I198-E202 HydrophobicContact CG2-CG 4.19Å; I198-E202 WeakPolarHBondContact O-CB 3.49Å; I198-E202 WeakPolarHBondContact O-CG 3.44Å; I198-E202 PolarHBondContact O-N 3.09Å; E202-T204 VanDerWaalsContact C-N 3.33Å; E202-T204 PolarHBondContact O-N 3.03Å; E202-C206 CarbonylContact O-C 3.59Å; E202-C206 WeakPolarHBondContact O-CA 3.43Å; E202-C206 WeakPolarHBondContact O-CB 3.39Å; E202-C206 PolarHBondContact O-N 3.3Å; E202-Q207 WeakPolarHBondContact O-CG 3.36Å; E202-Q207 PolarHBondContact O-N 3.01Å; E202-Q207 PolarHBondContact O-NE2 3.37Å
203	N	92.1	Very high	94.8	Very high	79 Å²	79	32.5 Å²	32.5	42%	0.422	15%	0.15	S	C	.	.	H	α-helix	trans	-63.9	-36.9	176.8	-76.3	-33.2	0	0	0	112.8	R199 R200 L201 Q207	R199-N203 PolarHBondContact NH1-ND2 3.24Å; R199-N203 WeakPolarHBondContact O-CB 3.35Å; R199-N203 PolarHBondContact O-N 3.02Å; R199-N203 PolarHBondContact O-ND2 3.41Å; R200-N203 PolarHBondContact O-N 3.49Å; L201-N203 VanDerWaalsContact C-N 3.32Å; L201-N203 PolarHBondContact O-N 2.95Å; N203-Q207 WeakPolarHBondContact O-CG 3.36Å
204	T	94	Very high	94.8	Very high	21 Å²	21	33.3 Å²	33.3	13%	0.129	15%	0.151	C	C	.	.	H	α-helix	trans	-81.9	-43.8	-178.1	-68	0	0	0	0	112.9	R200 L201 E202 F229 E230	R200-T204 PolarHBondContact O-N 2.98Å; R200-T204 PolarHBondContact O-OG1 3.45Å; L201-T204 PolarHBondContact O-N 3.47Å; E202-T204 VanDerWaalsContact C-N 3.33Å; E202-T204 PolarHBondContact O-N 3.03Å; T204-F229 HydrophobicContact CG2-CB 4.02Å; T204-F229 VanDerWaalsContact CG2-O 3.29Å; T204-F229 WeakPolarHBondContact CG2-O 3.27Å; T204-F229 PolarHBondContact OG1-O 3.28Å; T204-E230 HydrophobicContact CG2-CG 4.03Å
205	Y	94.2	Very high	94.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-108.1	-14.3	-166.6	-67.7	-70.7	0	0	0	114.6	Q129 G132 L201 L211 F213 E230	Q129-Y205 HydrophobicContact CG-CE2 3.98Å; G132-Y205 CarbonylContact C-O 3.34Å; G132-Y205 VanDerWaalsContact O-O 3.05Å; L201-Y205 HydrophobicContact CD2-CD2 4.1Å; L201-Y205 HydrophobicContact CD2-CE2 3.99Å; L201-Y205 WeakPolarHBondContact O-CB 3.46Å; L201-Y205 PolarHBondContact O-N 3.06Å; Y205-L211 HydrophobicContact CD1-CB 4.33Å; Y205-L211 HydrophobicContact CD1-CD1 3.95Å; Y205-L211 HydrophobicContact CD1-CG 4.45Å; Y205-L211 HydrophobicContact CE1-CB 4.35Å; Y205-L211 HydrophobicContact CE1-CD1 3.68Å; Y205-F213 HydrophobicContact CE1-CE1 4.05Å; Y205-E230 HydrophobicContact CE2-CG 3.95Å; Y205-E230 VanDerWaalsContact OH-CD 3.23Å; Y205-E230 WeakPolarHBondContact OH-CG 3.35Å; Y205-E230 PolarHBondContact OH-OE1 3.15Å
206	C	92	Very high	94.9	Very high	11 Å²	11	30.7 Å²	30.7	7%	0.074	14%	0.143	C	C	.	.	S	Bend	trans	-128.2	4.5	-168.2	-52.7	0	0	0	0	114.6	V135 A136 Q137 E202	V135-C206 HydrophobicContact CG2-CB 4.07Å; V135-C206 VanDerWaalsContact CG2-SG 3.51Å; A136-C206 WeakPolarHBondContact CA-O 3.42Å; Q137-C206 PolarHBondContact N-O 2.86Å; E202-C206 CarbonylContact O-C 3.59Å; E202-C206 WeakPolarHBondContact O-CA 3.43Å; E202-C206 WeakPolarHBondContact O-CB 3.39Å; E202-C206 PolarHBondContact O-N 3.3Å
207	Q	92.7	Very high	94.8	Very high	67 Å²	67	35.5 Å²	35.5	31%	0.313	17%	0.17	S	C	.	.	S	Bend	trans	-88.9	-137.9	173.6	-58.1	-58.3	-47.2	0	0	110.2	A136 Q137 E202 N203 I209	A136-Q207 CarbonylContact C-O 3.53Å; Q137-Q207 WeakPolarHBondContact CA-O 3.42Å; Q137-Q207 PolarHBondContact N-O 3.03Å; E202-Q207 WeakPolarHBondContact O-CG 3.36Å; E202-Q207 PolarHBondContact O-N 3.01Å; E202-Q207 PolarHBondContact O-NE2 3.37Å; N203-Q207 WeakPolarHBondContact O-CG 3.36Å; Q207-I209 PolarHBondContact O-N 3.05Å
208	H	95.7	Very high	94.8	Very high	60 Å²	60	38.4 Å²	38.4	28%	0.278	19%	0.185	S	C	.	.	S	Bend	trans	-76.4	3.6	-177.6	-60.8	161.8	0	0	0	114.7	Q137 V466 N467 D470 A473	Q137-H208 PolarHBondContact O-CD2 3.49Å; H208-V466 WeakPolarHBondContact O-CA 3.47Å; H208-N467 HydrophobicContact CB-CB 3.96Å; H208-N467 PolarHBondContact O-N 2.88Å; H208-D470 HydrophobicContact CB-CB 4.09Å; H208-D470 IonicContact CE1-OD2 3.7Å; H208-D470 IonicContact CG-OD2 2.77Å; H208-D470 WeakPolarHBondContact ND1-CB 3.12Å; H208-D470 IonicContact ND1-OD2 3.71Å; H208-D470 PolarHBondContact ND1-OD2 3.04Å; H208-A473 HydrophobicContact CB-CB 4.32Å
209	I	97.3	Very high	94.9	Very high	17 Å²	17	42.2 Å²	42.2	9%	0.087	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	129.9	176.8	-57.9	172	0	0	0	108.4	Q207 L211 F229 M235 H465 V466 A473 Y476 V477	Q207-I209 PolarHBondContact O-N 3.05Å; I209-L211 HydrophobicContact CG2-CD2 3.61Å; I209-L211 HydrophobicContact CG2-CG 4.13Å; I209-F229 HydrophobicContact CD1-CE1 4.48Å; I209-F229 HydrophobicContact CG2-CD1 4.4Å; I209-F229 HydrophobicContact CG2-CE1 4.09Å; I209-M235 HydrophobicContact CD1-SD 4.2Å; I209-H465 CarbonylContact C-O 3.32Å; I209-H465 WeakPolarHBondContact CA-O 3.38Å; I209-V466 HydrophobicContact CG1-CG2 4.23Å; I209-A473 HydrophobicContact CD1-CB 4.07Å; I209-A473 HydrophobicContact CG1-CB 3.94Å; I209-Y476 HydrophobicContact CD1-CD1 4.47Å; I209-V477 HydrophobicContact CD1-CG2 3.81Å; I209-V477 HydrophobicContact CG1-CG2 4Å; I209-V477 HydrophobicContact CG2-CG2 3.97Å
210	G	95.8	Very high	95	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	132.3	172.5	0	0	0	0	0	109.3	H465	G210-H465 PolarHBondContact N-O 3.34Å; G210-H465 PolarHBondContact O-N 2.83Å
211	L	97.3	Very high	95.1	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.4	-172.5	-56.7	174.8	0	0	0	110.5	Y205 I209 F213 F229 F464	Y205-L211 HydrophobicContact CD1-CB 4.33Å; Y205-L211 HydrophobicContact CD1-CD1 3.95Å; Y205-L211 HydrophobicContact CD1-CG 4.45Å; Y205-L211 HydrophobicContact CE1-CB 4.35Å; Y205-L211 HydrophobicContact CE1-CD1 3.68Å; I209-L211 HydrophobicContact CG2-CD2 3.61Å; I209-L211 HydrophobicContact CG2-CG 4.13Å; L211-F213 HydrophobicContact CB-CD1 4.07Å; L211-F213 HydrophobicContact CB-CE1 4.34Å; L211-F229 HydrophobicContact CD1-CB 3.47Å; L211-F229 VanDerWaalsContact CD1-CB 3.47Å; L211-F229 HydrophobicContact CD1-CD1 3.9Å; L211-F229 HydrophobicContact CD1-CD2 3.76Å; L211-F229 HydrophobicContact CD1-CE2 4.46Å; L211-F229 HydrophobicContact CD1-CG 3.44Å; L211-F229 VanDerWaalsContact CD1-CG 3.44Å; L211-F229 HydrophobicContact CD2-CD1 3.86Å; L211-F229 HydrophobicContact CD2-CD2 3.91Å; L211-F229 HydrophobicContact CD2-CE1 3.72Å; L211-F229 HydrophobicContact CD2-CE2 3.76Å; L211-F229 HydrophobicContact CD2-CG 3.97Å; L211-F229 HydrophobicContact CD2-CZ 3.66Å; L211-F229 HydrophobicContact CG-CD1 4.48Å; L211-F229 HydrophobicContact CG-CG 4.36Å; L211-F464 HydrophobicContact CD2-CD1 3.55Å; L211-F464 HydrophobicContact CD2-CE1 4.1Å; L211-F464 HydrophobicContact CD2-CG 4.42Å
212	E	96.9	Very high	95.3	Very high	7 Å²	7	42.6 Å²	42.6	3%	0.033	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	107.8	168.2	-48.2	-163.5	85.6	0	0	110.1	H133 F215 Y451 R457 I463 H465	H133-E212 HydrophobicContact CB-CG 4.38Å; H133-E212 IonicContact CE1-OE1 3.67Å; H133-E212 PolarHBondContact CE1-OE1 3.36Å; H133-E212 IonicContact ND1-OE1 3.35Å; H133-E212 IonicContact NE2-OE1 2.74Å; E212-F215 HydrophobicContact CB-CE1 3.73Å; E212-Y451 WeakPolarHBondContact OE2-CD2 3.46Å; E212-R457 VanDerWaalsContact CD-NH2 3.34Å; E212-R457 IonicContact OE1-CZ 3.96Å; E212-R457 IonicContact OE1-NH1 3.7Å; E212-R457 IonicContact OE1-NH2 2.72Å; E212-R457 PolarHBondContact OE1-NH2 3.19Å; E212-R457 IonicContact OE2-CZ 2.68Å; E212-R457 IonicContact OE2-NH2 3.77Å; E212-R457 PolarHBondContact OE2-NH2 3.4Å; E212-I463 HydrophobicContact CB-CB 4.2Å; E212-I463 PolarHBondContact N-O 3.14Å; E212-I463 PolarHBondContact O-N 3.44Å; E212-H465 IonicContact OE2-CE1 2.56Å; E212-H465 IonicContact OE2-NE2 3.93Å; E212-H465 PolarHBondContact OE2-NE2 3.28Å; E212-H465 VanDerWaalsContact OE2-NE2 3.12Å
213	F	97.2	Very high	95.5	Very high	1 Å²	1	43 Å²	43	0%	0.004	22%	0.22	C	C	.	.			trans	-148.4	-13	-178.1	71.5	-79.1	0	0	0	113.6	Y205 L211 F215 I216 C222 I225 R226	Y205-F213 HydrophobicContact CE1-CE1 4.05Å; L211-F213 HydrophobicContact CB-CD1 4.07Å; L211-F213 HydrophobicContact CB-CE1 4.34Å; F213-F215 PolarHBondContact O-N 2.81Å; F213-F215 VanDerWaalsContact O-N 3.11Å; F213-I216 HydrophobicContact CB-CD1 4Å; F213-I216 WeakPolarHBondContact O-CB 3.48Å; F213-I216 WeakPolarHBondContact O-CG1 3.45Å; F213-I216 PolarHBondContact O-N 3.36Å; F213-C222 HydrophobicContact CD2-CB 4.12Å; F213-C222 HydrophobicContact CE2-CB 4.14Å; F213-I225 HydrophobicContact CB-CD1 3.5Å; F213-I225 HydrophobicContact CB-CG2 4.2Å; F213-I225 HydrophobicContact CD1-CG2 3.88Å; F213-I225 HydrophobicContact CD2-CB 4.08Å; F213-I225 HydrophobicContact CD2-CD1 4.2Å; F213-I225 HydrophobicContact CD2-CG2 4Å; F213-I225 HydrophobicContact CE1-CG2 4.27Å; F213-I225 HydrophobicContact CE2-CB 4.47Å; F213-I225 HydrophobicContact CE2-CG2 4.36Å; F213-I225 HydrophobicContact CG-CB 4.25Å; F213-I225 HydrophobicContact CG-CD1 4.04Å; F213-I225 HydrophobicContact CG-CG2 3.74Å; F213-I225 HydrophobicContact CZ-CG2 4.49Å; F213-R226 HydrophobicContact CE2-CG 3.79Å; F213-R226 HydrophobicContact CZ-CG 3.71Å
214	M	96	Very high	95.8	Very high	50 Å²	50	41 Å²	41	25%	0.246	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-9.2	-175.5	-70.3	-66.2	-66.4	0	0	113.7	Q129 I130 I216 R226	Q129-M214 HydrophobicContact CB-CG 4.3Å; Q129-M214 HydrophobicContact CB-SD 4.18Å; Q129-M214 VanDerWaalsContact O-CG 3.23Å; Q129-M214 WeakPolarHBondContact O-CG 3.49Å; I130-M214 HydrophobicContact CD1-CE 4.4Å; I130-M214 HydrophobicContact CG1-CB 4Å; I130-M214 HydrophobicContact CG1-CE 3.89Å; I130-M214 HydrophobicContact CG1-CG 3.87Å; M214-I216 VanDerWaalsContact C-N 3.3Å; M214-R226 PolarHBondContact SD-NH2 3.48Å
215	F	95.4	Very high	96	Very high	51 Å²	51	40 Å²	40	22%	0.224	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-11.9	169.1	57.3	-105.5	0	0	0	113.1	E212 F213 N217 R457 N460 A461 I463	E212-F215 HydrophobicContact CB-CE1 3.73Å; F213-F215 PolarHBondContact O-N 2.81Å; F213-F215 VanDerWaalsContact O-N 3.11Å; F215-N217 PolarHBondContact O-N 2.85Å; F215-R457 HydrophobicContact CD1-CG 4.37Å; F215-R457 HydrophobicContact CE1-CG 4.03Å; F215-R457 HydrophobicContact CE2-CG 4.44Å; F215-R457 HydrophobicContact CZ-CG 4.09Å; F215-N460 HydrophobicContact CD2-CB 4.39Å; F215-N460 HydrophobicContact CE2-CB 4.5Å; F215-N460 PolarHBondContact O-OD1 3.31Å; F215-A461 WeakPolarHBondContact CE2-O 3.47Å; F215-A461 VanDerWaalsContact CZ-O 3.24Å; F215-A461 WeakPolarHBondContact CZ-O 3.4Å; F215-I463 HydrophobicContact CE1-CD1 4.48Å; F215-I463 HydrophobicContact CZ-CD1 4.3Å; F215-I463 HydrophobicContact CZ-CG1 4.36Å
216	I	96.4	Very high	96.1	Very high	10 Å²	10	41 Å²	41	5%	0.051	20%	0.204	C	C	.	.			trans	-69.2	125.1	178.1	-61.6	173.5	0	0	0	108.9	F213 M214 D218 Q221 C222 I225 N460 P462 W484	F213-I216 HydrophobicContact CB-CD1 4Å; F213-I216 WeakPolarHBondContact O-CB 3.48Å; F213-I216 WeakPolarHBondContact O-CG1 3.45Å; F213-I216 PolarHBondContact O-N 3.36Å; M214-I216 VanDerWaalsContact C-N 3.3Å; I216-D218 VanDerWaalsContact C-N 3.29Å; I216-D218 HydrophobicContact CG2-CB 4.17Å; I216-D218 PolarHBondContact O-N 2.83Å; I216-Q221 HydrophobicContact CG2-CB 3.98Å; I216-C222 PolarHBondContact O-SG 3.4Å; I216-C222 VanDerWaalsContact O-SG 3.42Å; I216-I225 HydrophobicContact CD1-CD1 3.99Å; I216-N460 HydrophobicContact CG1-CB 4.37Å; I216-P462 HydrophobicContact CD1-CB 3.91Å; I216-P462 HydrophobicContact CD1-CG 4.32Å; I216-W484 HydrophobicContact CD1-CH2 3.97Å
217	N	93.3	Very high	96.3	Very high	139 Å²	139	45.3 Å²	45.3	74%	0.743	22%	0.223	S	C	*	.	S	Bend	trans	-71.4	-23.8	-177.4	-65.7	-43.7	0	0	0	113.5	F215	F215-N217 PolarHBondContact O-N 2.85Å
218	D	96	Very high	96.5	Very high	61 Å²	61	44.7 Å²	44.7	33%	0.326	22%	0.219	S	C	.	.			trans	-83	119.7	-178.9	-175.7	-40.2	0	0	0	111	I216 E220 Q221 C222	I216-D218 VanDerWaalsContact C-N 3.29Å; I216-D218 HydrophobicContact CG2-CB 4.17Å; I216-D218 PolarHBondContact O-N 2.83Å; D218-E220 WeakPolarHBondContact OD1-CA 3.43Å; D218-E220 WeakPolarHBondContact OD1-CB 3.28Å; D218-E220 PolarHBondContact OD1-N 3.15Å; D218-Q221 HydrophobicContact CB-CB 3.94Å; D218-Q221 HydrophobicContact CB-CG 3.95Å; D218-Q221 VanDerWaalsContact CG-NE2 3.3Å; D218-Q221 PolarHBondContact OD1-N 2.82Å; D218-Q221 PolarHBondContact OD2-NE2 2.84Å; D218-C222 PolarHBondContact O-N 3.12Å; D218-C222 VanDerWaalsContact O-N 3.11Å; D218-C222 PolarHBondContact O-SG 3.05Å
219	V	95	Very high	96.6	Very high	93 Å²	93	42.4 Å²	42.4	56%	0.564	21%	0.208	S	C	*	.	H	α-helix	trans	-71	-36	-177.3	178.1	0	0	0	0	112.1	Q221 C222 Q223	V219-Q221 VanDerWaalsContact C-N 3.35Å; V219-C222 PolarHBondContact O-N 2.78Å; V219-Q223 HydrophobicContact CG1-CG 4.33Å; V219-Q223 WeakPolarHBondContact O-CB 3.39Å; V219-Q223 WeakPolarHBondContact O-CG 3.44Å; V219-Q223 PolarHBondContact O-N 3.42Å
220	E	96.8	Very high	96.6	Very high	141 Å²	141	41.7 Å²	41.7	66%	0.659	21%	0.205	S	C	*	.	H	α-helix	trans	-66.8	-41.3	178.8	-64.2	-173.8	175.6	0	0	110.2	D218 Q223 W224	D218-E220 WeakPolarHBondContact OD1-CA 3.43Å; D218-E220 WeakPolarHBondContact OD1-CB 3.28Å; D218-E220 PolarHBondContact OD1-N 3.15Å; E220-Q223 PolarHBondContact O-N 3.34Å; E220-W224 WeakPolarHBondContact O-CB 3.49Å; E220-W224 PolarHBondContact O-N 2.86Å
221	Q	97.4	Very high	96.5	Very high	10 Å²	10	43.9 Å²	43.9	5%	0.047	22%	0.218	C	C	.	.	H	α-helix	trans	-60.1	-45.8	172.8	-76.5	172.6	41	0	0	112	I216 D218 V219 W224 I225 W484 F488	I216-Q221 HydrophobicContact CG2-CB 3.98Å; D218-Q221 HydrophobicContact CB-CB 3.94Å; D218-Q221 HydrophobicContact CB-CG 3.95Å; D218-Q221 VanDerWaalsContact CG-NE2 3.3Å; D218-Q221 PolarHBondContact OD1-N 2.82Å; D218-Q221 PolarHBondContact OD2-NE2 2.84Å; V219-Q221 VanDerWaalsContact C-N 3.35Å; Q221-W224 PolarHBondContact O-N 3.42Å; Q221-I225 WeakPolarHBondContact O-CG1 3.43Å; Q221-I225 PolarHBondContact O-N 2.82Å; Q221-I225 VanDerWaalsContact O-N 3.09Å; Q221-W484 HydrophobicContact CB-CH2 3.7Å; Q221-W484 HydrophobicContact CB-CZ3 3.9Å; Q221-W484 HydrophobicContact CG-CH2 3.71Å; Q221-W484 HydrophobicContact CG-CZ3 4.06Å; Q221-F488 HydrophobicContact CB-CZ 4.48Å; Q221-F488 HydrophobicContact CG-CD1 3.57Å; Q221-F488 HydrophobicContact CG-CD2 4.34Å; Q221-F488 HydrophobicContact CG-CE1 3.5Å; Q221-F488 VanDerWaalsContact CG-CE1 3.5Å; Q221-F488 HydrophobicContact CG-CE2 4.28Å; Q221-F488 HydrophobicContact CG-CG 4Å; Q221-F488 HydrophobicContact CG-CZ 3.87Å
222	C	97.4	Very high	96.3	Very high	8 Å²	8	47 Å²	47	5%	0.054	24%	0.238	C	C	.	.	H	α-helix	trans	-61.9	-44	175.2	-70.3	0	0	0	0	112.2	F213 I216 D218 V219 W224 I225 R226	F213-C222 HydrophobicContact CD2-CB 4.12Å; F213-C222 HydrophobicContact CE2-CB 4.14Å; I216-C222 PolarHBondContact O-SG 3.4Å; I216-C222 VanDerWaalsContact O-SG 3.42Å; D218-C222 PolarHBondContact O-N 3.12Å; D218-C222 VanDerWaalsContact O-N 3.11Å; D218-C222 PolarHBondContact O-SG 3.05Å; V219-C222 PolarHBondContact O-N 2.78Å; C222-W224 VanDerWaalsContact C-N 3.33Å; C222-I225 PolarHBondContact O-N 2.92Å; C222-R226 WeakPolarHBondContact O-CG 3.38Å; C222-R226 PolarHBondContact O-N 2.71Å
223	Q	96.7	Very high	95.9	Very high	75 Å²	75	48.6 Å²	48.6	35%	0.35	26%	0.257	S	S	.	.	H	α-helix	trans	-64.2	-38.5	177.7	-76.6	179.1	-2.7	0	0	111.9	V219 E220 R226 Q227	V219-Q223 HydrophobicContact CG1-CG 4.33Å; V219-Q223 WeakPolarHBondContact O-CB 3.39Å; V219-Q223 WeakPolarHBondContact O-CG 3.44Å; V219-Q223 PolarHBondContact O-N 3.42Å; E220-Q223 PolarHBondContact O-N 3.34Å; Q223-R226 PolarHBondContact O-N 3.36Å; Q223-Q227 WeakPolarHBondContact O-CB 3.37Å; Q223-Q227 PolarHBondContact O-N 2.99Å
224	W	98	Very high	95.6	Very high	38 Å²	38	50.7 Å²	50.7	14%	0.144	27%	0.27	C	S	.	.	H	α-helix	trans	-61.4	-45.7	176.3	-174.2	98.3	0	0	0	111.4	E220 Q221 C222 Q227 K228 V480 E483 W484 F488	E220-W224 WeakPolarHBondContact O-CB 3.49Å; E220-W224 PolarHBondContact O-N 2.86Å; Q221-W224 PolarHBondContact O-N 3.42Å; C222-W224 VanDerWaalsContact C-N 3.33Å; W224-Q227 PolarHBondContact O-N 3.19Å; W224-K228 HydrophobicContact CD2-CG 4.06Å; W224-K228 HydrophobicContact CE3-CG 3.88Å; W224-K228 HydrophobicContact CH2-CD 4.29Å; W224-K228 HydrophobicContact CH2-CG 3.86Å; W224-K228 HydrophobicContact CZ2-CD 4.21Å; W224-K228 HydrophobicContact CZ2-CG 4.05Å; W224-K228 HydrophobicContact CZ3-CG 3.77Å; W224-K228 WeakPolarHBondContact O-CG 3.46Å; W224-K228 PolarHBondContact O-N 3.07Å; W224-V480 HydrophobicContact CH2-CG1 3.8Å; W224-V480 HydrophobicContact CZ3-CG1 3.69Å; W224-E483 HydrophobicContact CH2-CB 3.93Å; W224-E483 HydrophobicContact CZ2-CB 3.89Å; W224-W484 AromaticContact CE3-CE3 3.94Å; W224-W484 HydrophobicContact CE3-CE3 3.94Å; W224-W484 HydrophobicContact CH2-CB 4.05Å; W224-W484 HydrophobicContact CZ3-CB 4.06Å; W224-W484 AromaticContact CZ3-CE3 3.98Å; W224-W484 HydrophobicContact CZ3-CE3 3.98Å; W224-F488 HydrophobicContact CB-CE2 4.06Å; W224-F488 HydrophobicContact CB-CZ 3.79Å; W224-F488 AromaticContact CD1-CZ 3.98Å; W224-F488 AromaticContact CD2-CE2 3.7Å; W224-F488 HydrophobicContact CD2-CE2 3.7Å; W224-F488 HydrophobicContact CD2-CZ 4.25Å; W224-F488 HydrophobicContact CE3-CE2 4.04Å; W224-F488 AromaticContact CG-CE2 3.71Å; W224-F488 HydrophobicContact CG-CE2 3.71Å; W224-F488 AromaticContact CG-CZ 3.74Å; W224-F488 HydrophobicContact CG-CZ 3.74Å
225	I	98.1	Very high	95.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.4	-47.5	176.6	-67.7	171.4	0	0	0	110.2	F213 I216 Q221 C222 Q227 K228 F229 P462 F464 W484	F213-I225 HydrophobicContact CB-CD1 3.5Å; F213-I225 HydrophobicContact CB-CG2 4.2Å; F213-I225 HydrophobicContact CD1-CG2 3.88Å; F213-I225 HydrophobicContact CD2-CB 4.08Å; F213-I225 HydrophobicContact CD2-CD1 4.2Å; F213-I225 HydrophobicContact CD2-CG2 4Å; F213-I225 HydrophobicContact CE1-CG2 4.27Å; F213-I225 HydrophobicContact CE2-CB 4.47Å; F213-I225 HydrophobicContact CE2-CG2 4.36Å; F213-I225 HydrophobicContact CG-CB 4.25Å; F213-I225 HydrophobicContact CG-CD1 4.04Å; F213-I225 HydrophobicContact CG-CG2 3.74Å; F213-I225 HydrophobicContact CZ-CG2 4.49Å; I216-I225 HydrophobicContact CD1-CD1 3.99Å; Q221-I225 WeakPolarHBondContact O-CG1 3.43Å; Q221-I225 PolarHBondContact O-N 2.82Å; Q221-I225 VanDerWaalsContact O-N 3.09Å; C222-I225 PolarHBondContact O-N 2.92Å; I225-Q227 VanDerWaalsContact C-N 3.31Å; I225-Q227 PolarHBondContact O-N 3.49Å; I225-K228 PolarHBondContact O-N 2.96Å; I225-K228 VanDerWaalsContact O-N 3.11Å; I225-F229 HydrophobicContact CG2-CD2 3.81Å; I225-F229 HydrophobicContact CG2-CE2 4.12Å; I225-F229 WeakPolarHBondContact O-CD2 3.39Å; I225-F229 PolarHBondContact O-N 3.19Å; I225-P462 HydrophobicContact CD1-CB 3.75Å; I225-P462 HydrophobicContact CD1-CG 4.28Å; I225-F464 HydrophobicContact CG2-CE1 4.3Å; I225-W484 HydrophobicContact CD1-CE3 4.13Å; I225-W484 HydrophobicContact CD1-CH2 4.25Å; I225-W484 HydrophobicContact CD1-CZ3 3.64Å; I225-W484 HydrophobicContact CG1-CE3 4.11Å; I225-W484 HydrophobicContact CG1-CZ3 3.89Å
226	R	97.2	Very high	95	Very high	20 Å²	20	57.2 Å²	57.2	8%	0.075	30%	0.298	C	S	.	.	H	α-helix	trans	-55.8	-46.2	175.3	-71.7	178	-170	132.7	5.9	111.7	T182 F184 F213 M214 C222 Q223 K228 F229 E230	T182-R226 WeakPolarHBondContact O-CD 3.05Å; T182-R226 PolarHBondContact O-NE 2.99Å; F184-R226 HydrophobicContact CD2-CB 3.72Å; F184-R226 HydrophobicContact CE2-CB 3.94Å; F213-R226 HydrophobicContact CE2-CG 3.79Å; F213-R226 HydrophobicContact CZ-CG 3.71Å; M214-R226 PolarHBondContact SD-NH2 3.48Å; C222-R226 WeakPolarHBondContact O-CG 3.38Å; C222-R226 PolarHBondContact O-N 2.71Å; Q223-R226 PolarHBondContact O-N 3.36Å; R226-K228 VanDerWaalsContact C-N 3.3Å; R226-K228 PolarHBondContact O-N 2.85Å; R226-F229 PolarHBondContact O-N 2.92Å; R226-E230 HydrophobicContact CB-CG 4.42Å; R226-E230 WeakPolarHBondContact CB-OE2 3.15Å; R226-E230 WeakPolarHBondContact O-CA 3.43Å; R226-E230 WeakPolarHBondContact O-CB 3.37Å; R226-E230 WeakPolarHBondContact O-CG 3.21Å; R226-E230 PolarHBondContact O-N 3.07Å
227	Q	96.2	Very high	94.9	Very high	102 Å²	102	58.7 Å²	58.7	48%	0.477	31%	0.305	S	S	.	.	H	α-helix	trans	-60.9	-40.2	178.1	-172.1	-178.9	14.5	0	0	111.7	F184 Q223 W224 I225 T231	F184-Q227 HydrophobicContact CD1-CB 4.41Å; F184-Q227 HydrophobicContact CD1-CG 4.31Å; F184-Q227 HydrophobicContact CD2-CB 4.13Å; F184-Q227 HydrophobicContact CE1-CB 4.37Å; F184-Q227 HydrophobicContact CE1-CG 4.38Å; F184-Q227 HydrophobicContact CE2-CB 4.1Å; F184-Q227 HydrophobicContact CG-CB 4.28Å; F184-Q227 HydrophobicContact CZ-CB 4.22Å; Q223-Q227 WeakPolarHBondContact O-CB 3.37Å; Q223-Q227 PolarHBondContact O-N 2.99Å; W224-Q227 PolarHBondContact O-N 3.19Å; I225-Q227 VanDerWaalsContact C-N 3.31Å; I225-Q227 PolarHBondContact O-N 3.49Å; Q227-T231 VanDerWaalsContact O-CB 3.3Å; Q227-T231 WeakPolarHBondContact O-CB 3.45Å; Q227-T231 PolarHBondContact O-OG1 3.01Å
228	K	96.9	Very high	95	Very high	54 Å²	54	55.8 Å²	55.8	24%	0.235	29%	0.292	C	S	.	.	H	α-helix	trans	-64	-49	176.9	-68.7	-69.1	174.4	176.8	0	111.4	W224 I225 R226 V234 Y476 V480 E483	W224-K228 HydrophobicContact CD2-CG 4.06Å; W224-K228 HydrophobicContact CE3-CG 3.88Å; W224-K228 HydrophobicContact CH2-CD 4.29Å; W224-K228 HydrophobicContact CH2-CG 3.86Å; W224-K228 HydrophobicContact CZ2-CD 4.21Å; W224-K228 HydrophobicContact CZ2-CG 4.05Å; W224-K228 HydrophobicContact CZ3-CG 3.77Å; W224-K228 WeakPolarHBondContact O-CG 3.46Å; W224-K228 PolarHBondContact O-N 3.07Å; I225-K228 PolarHBondContact O-N 2.96Å; I225-K228 VanDerWaalsContact O-N 3.11Å; R226-K228 VanDerWaalsContact C-N 3.3Å; R226-K228 PolarHBondContact O-N 2.85Å; K228-V234 WeakPolarHBondContact O-CG1 3.36Å; K228-Y476 PolarHBondContact O-OH 3.13Å; K228-V480 HydrophobicContact CB-CG1 4.19Å; K228-V480 HydrophobicContact CB-CG2 4.36Å; K228-V480 HydrophobicContact CG-CG1 4.23Å; K228-E483 VanDerWaalsContact CE-OE2 3.22Å; K228-E483 WeakPolarHBondContact CE-OE2 3.12Å; K228-E483 IonicContact NZ-OE2 3.27Å; K228-E483 PolarHBondContact NZ-OE2 3.1Å
229	F	97.1	Very high	95	Very high	11 Å²	11	57.4 Å²	57.4	5%	0.048	30%	0.301	C	S	.	.	H	α-helix	trans	-94.4	-30.8	-170.2	-69.4	-82.7	0	0	0	115.7	T204 I209 L211 I225 R226 F464 Y476 V477 V480	T204-F229 HydrophobicContact CG2-CB 4.02Å; T204-F229 VanDerWaalsContact CG2-O 3.29Å; T204-F229 WeakPolarHBondContact CG2-O 3.27Å; T204-F229 PolarHBondContact OG1-O 3.28Å; I209-F229 HydrophobicContact CD1-CE1 4.48Å; I209-F229 HydrophobicContact CG2-CD1 4.4Å; I209-F229 HydrophobicContact CG2-CE1 4.09Å; L211-F229 HydrophobicContact CD1-CB 3.47Å; L211-F229 VanDerWaalsContact CD1-CB 3.47Å; L211-F229 HydrophobicContact CD1-CD1 3.9Å; L211-F229 HydrophobicContact CD1-CD2 3.76Å; L211-F229 HydrophobicContact CD1-CE2 4.46Å; L211-F229 HydrophobicContact CD1-CG 3.44Å; L211-F229 VanDerWaalsContact CD1-CG 3.44Å; L211-F229 HydrophobicContact CD2-CD1 3.86Å; L211-F229 HydrophobicContact CD2-CD2 3.91Å; L211-F229 HydrophobicContact CD2-CE1 3.72Å; L211-F229 HydrophobicContact CD2-CE2 3.76Å; L211-F229 HydrophobicContact CD2-CG 3.97Å; L211-F229 HydrophobicContact CD2-CZ 3.66Å; L211-F229 HydrophobicContact CG-CD1 4.48Å; L211-F229 HydrophobicContact CG-CG 4.36Å; I225-F229 HydrophobicContact CG2-CD2 3.81Å; I225-F229 HydrophobicContact CG2-CE2 4.12Å; I225-F229 WeakPolarHBondContact O-CD2 3.39Å; I225-F229 PolarHBondContact O-N 3.19Å; R226-F229 PolarHBondContact O-N 2.92Å; F229-F464 HydrophobicContact CE2-CD1 4.11Å; F229-F464 AromaticContact CE2-CE1 3.65Å; F229-F464 HydrophobicContact CE2-CE1 3.65Å; F229-F464 AromaticContact CE2-CZ 3.89Å; F229-F464 HydrophobicContact CE2-CZ 3.89Å; F229-F464 HydrophobicContact CZ-CD1 4.04Å; F229-F464 HydrophobicContact CZ-CE1 4.01Å; F229-F464 HydrophobicContact CZ-CE2 4.47Å; F229-F464 HydrophobicContact CZ-CG 4.31Å; F229-F464 HydrophobicContact CZ-CZ 4.24Å; F229-Y476 HydrophobicContact CD1-CD1 4.4Å; F229-Y476 AromaticContact CD1-CE1 3.8Å; F229-Y476 HydrophobicContact CD1-CE1 3.8Å; F229-Y476 HydrophobicContact CE1-CD1 4.03Å; F229-Y476 AromaticContact CE1-CE1 3.72Å; F229-Y476 HydrophobicContact CE1-CE1 3.72Å; F229-Y476 HydrophobicContact CZ-CE1 4.47Å; F229-V477 HydrophobicContact CE1-CG2 4.16Å; F229-V480 HydrophobicContact CE2-CB 4.48Å; F229-V480 HydrophobicContact CE2-CG1 3.73Å; F229-V480 HydrophobicContact CZ-CB 4.15Å; F229-V480 HydrophobicContact CZ-CG1 3.88Å; F229-V480 HydrophobicContact CZ-CG2 4.26Å
230	E	96.8	Very high	95	Very high	3 Å²	3	60.2 Å²	60.2	1%	0.014	31%	0.308	C	S	.	.	H	α-helix	trans	-83	-22.5	-178.1	-63.6	-179.8	142.5	0	0	112.7	Q129 T183 F184 I185 T204 Y205 R226 P232	Q129-E230 PolarHBondContact NE2-OE1 3.36Å; T183-E230 WeakPolarHBondContact CA-OE2 3.27Å; T183-E230 VanDerWaalsContact OG1-CD 3.25Å; T183-E230 PolarHBondContact OG1-OE1 3.48Å; T183-E230 PolarHBondContact OG1-OE2 2.96Å; T183-E230 VanDerWaalsContact OG1-OE2 3.09Å; F184-E230 HydrophobicContact CB-CB 4.04Å; F184-E230 PolarHBondContact N-OE2 3.4Å; I185-E230 WeakPolarHBondContact CA-O 3.38Å; I185-E230 HydrophobicContact CG2-CB 3.81Å; I185-E230 HydrophobicContact CG2-CG 4.01Å; T204-E230 HydrophobicContact CG2-CG 4.03Å; Y205-E230 HydrophobicContact CE2-CG 3.95Å; Y205-E230 VanDerWaalsContact OH-CD 3.23Å; Y205-E230 WeakPolarHBondContact OH-CG 3.35Å; Y205-E230 PolarHBondContact OH-OE1 3.15Å; R226-E230 HydrophobicContact CB-CG 4.42Å; R226-E230 WeakPolarHBondContact CB-OE2 3.15Å; R226-E230 WeakPolarHBondContact O-CA 3.43Å; R226-E230 WeakPolarHBondContact O-CB 3.37Å; R226-E230 WeakPolarHBondContact O-CG 3.21Å; R226-E230 PolarHBondContact O-N 3.07Å; E230-P232 WeakPolarHBondContact O-CD 3.47Å
231	T	95.1	Very high	94.9	Very high	46 Å²	46	57.6 Å²	57.6	28%	0.282	30%	0.295	S	S	.	.	S	Bend	trans	-62.2	126.8	-178.2	-62.4	0	0	0	0	110.6	Q227 G233 V234	Q227-T231 VanDerWaalsContact O-CB 3.3Å; Q227-T231 WeakPolarHBondContact O-CB 3.45Å; Q227-T231 PolarHBondContact O-OG1 3.01Å; T231-G233 PolarHBondContact O-N 2.91Å; T231-V234 HydrophobicContact CG2-CG1 4.22Å; T231-V234 WeakPolarHBondContact O-CG1 3.33Å; T231-V234 WeakPolarHBondContact O-CG2 3.37Å
232	P	92.6	Very high	94.9	Very high	66 Å²	66	58.5 Å²	58.5	43%	0.429	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	134.2	-179.3	-27.4	35.1	0	0	0	113.7	I185 E230	I185-P232 WeakPolarHBondContact O-CG 3.29Å; E230-P232 WeakPolarHBondContact O-CD 3.47Å
233	G	88.8	Confident	94.9	Very high	41 Å²	41	62.5 Å²	62.5	42%	0.423	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	84	13.2	172	0	0	0	0	0	115.8	T231 M235 K236	T231-G233 PolarHBondContact O-N 2.91Å; G233-M235 PolarHBondContact O-N 3.31Å; G233-K236 WeakPolarHBondContact O-CB 3.31Å; G233-K236 VanDerWaalsContact O-CG 3.32Å; G233-K236 WeakPolarHBondContact O-CG 3.34Å; G233-K236 PolarHBondContact O-N 3.36Å
234	V	90.4	Very high	94.9	Very high	46 Å²	46	61.7 Å²	61.7	28%	0.279	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-22.6	178.3	-69	0	0	0	0	114.1	K228 T231 K236 Y476	K228-V234 WeakPolarHBondContact O-CG1 3.36Å; T231-V234 HydrophobicContact CG2-CG1 4.22Å; T231-V234 WeakPolarHBondContact O-CG1 3.33Å; T231-V234 WeakPolarHBondContact O-CG2 3.37Å; V234-K236 VanDerWaalsContact C-N 3.31Å; V234-K236 PolarHBondContact O-N 3.15Å; V234-Y476 HydrophobicContact CB-CE1 4.5Å; V234-Y476 HydrophobicContact CB-CE2 3.9Å; V234-Y476 WeakPolarHBondContact CB-OH 3.32Å; V234-Y476 HydrophobicContact CG2-CE1 4.23Å; V234-Y476 HydrophobicContact CG2-CE2 4.45Å; V234-Y476 WeakPolarHBondContact O-CD2 3.39Å; V234-Y476 VanDerWaalsContact O-CE2 3.29Å; V234-Y476 WeakPolarHBondContact O-CE2 3.36Å
235	M	88.6	Confident	94.9	Very high	62 Å²	62	60.1 Å²	60.1	31%	0.305	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	22.6	178.5	-69.9	-56.3	-57.1	0	0	114.1	I209 G233 F237 E472 A473 Y476	I209-M235 HydrophobicContact CD1-SD 4.2Å; G233-M235 PolarHBondContact O-N 3.31Å; M235-F237 HydrophobicContact CE-CE2 3.92Å; M235-E472 VanDerWaalsContact CE-C 3.49Å; M235-E472 HydrophobicContact CE-CB 4.33Å; M235-E472 WeakPolarHBondContact CE-O 3.49Å; M235-A473 HydrophobicContact CE-CB 4.2Å; M235-Y476 HydrophobicContact CE-CG 4.34Å; M235-Y476 WeakPolarHBondContact SD-CB 3.47Å; M235-Y476 HydrophobicContact SD-CD1 3.38Å; M235-Y476 WeakPolarHBondContact SD-CD1 3.45Å; M235-Y476 HydrophobicContact SD-CD2 3.98Å; M235-Y476 HydrophobicContact SD-CE1 4.23Å; M235-Y476 HydrophobicContact SD-CG 3.24Å
236	K	90.6	Very high	94.9	Very high	175 Å²	175	60.5 Å²	60.5	76%	0.761	31%	0.31	S	S	*	.			trans	-91.3	112.7	-179.5	-73.3	178.4	-179.6	178.2	0	111.1	G233 V234	G233-K236 WeakPolarHBondContact O-CB 3.31Å; G233-K236 VanDerWaalsContact O-CG 3.32Å; G233-K236 WeakPolarHBondContact O-CG 3.34Å; G233-K236 PolarHBondContact O-N 3.36Å; V234-K236 VanDerWaalsContact C-N 3.31Å; V234-K236 PolarHBondContact O-N 3.15Å
237	F	94.4	Very high	94.9	Very high	42 Å²	42	60.8 Å²	60.8	18%	0.184	32%	0.316	C	S	.	.			trans	-97.6	141.9	175.5	-70.7	-98.3	0	0	0	111.9	M235 E241 K242 E472 M475	M235-F237 HydrophobicContact CE-CE2 3.92Å; F237-E241 HydrophobicContact CB-CB 4.49Å; F237-E241 HydrophobicContact CD1-CB 3.99Å; F237-K242 HydrophobicContact CB-CG 3.9Å; F237-E472 HydrophobicContact CD2-CB 3.89Å; F237-E472 HydrophobicContact CD2-CG 3.77Å; F237-E472 HydrophobicContact CE2-CB 3.61Å; F237-E472 HydrophobicContact CE2-CG 3.97Å; F237-E472 WeakPolarHBondContact CE2-O 3.4Å; F237-E472 HydrophobicContact CG-CG 4.2Å; F237-E472 HydrophobicContact CZ-CB 4.2Å; F237-E472 WeakPolarHBondContact CZ-O 3.29Å; F237-M475 HydrophobicContact CE1-CB 3.86Å; F237-M475 HydrophobicContact CZ-CB 3.89Å
238	T	95.4	Very high	94.9	Very high	77 Å²	77	58.2 Å²	58.2	47%	0.472	30%	0.302	S	S	.	.			trans	-71.7	157.9	168.4	65.3	0	0	0	0	111.1	E240 E241 K242	T238-E240 PolarHBondContact O-N 2.78Å; T238-E241 WeakPolarHBondContact CB-OE2 3.4Å; T238-E241 WeakPolarHBondContact CG2-OE2 3.09Å; T238-E241 PolarHBondContact N-OE2 2.81Å; T238-E241 PolarHBondContact O-N 2.91Å; T238-E241 VanDerWaalsContact OG1-CD 3.27Å; T238-E241 VanDerWaalsContact OG1-CG 3.23Å; T238-E241 WeakPolarHBondContact OG1-CG 3.29Å; T238-E241 PolarHBondContact OG1-N 3.5Å; T238-E241 PolarHBondContact OG1-OE2 3.46Å; T238-K242 WeakPolarHBondContact O-CG 3.29Å; T238-K242 PolarHBondContact O-N 3.15Å
239	N	96.3	Very high	95	Very high	96 Å²	96	55.7 Å²	55.7	51%	0.513	29%	0.291	S	S	.	.	H	α-helix	trans	-60	-31.9	177.3	-70.5	-0.7	0	0	0	112.5	R243 T540	N239-R243 WeakPolarHBondContact O-CB 3.29Å; N239-R243 VanDerWaalsContact O-CG 3.29Å; N239-R243 WeakPolarHBondContact O-CG 3.31Å; N239-R243 PolarHBondContact O-N 3.12Å; N239-T540 HydrophobicContact CB-CG2 3.97Å
240	E	94.8	Very high	95	Very high	152 Å²	152	55.2 Å²	55.2	71%	0.71	29%	0.289	S	S	*	.	H	α-helix	trans	-70.2	-43.5	177.4	-175.6	175.2	-177.6	0	0	112.1	T238 K242 R243 T244	T238-E240 PolarHBondContact O-N 2.78Å; E240-K242 VanDerWaalsContact C-N 3.33Å; E240-K242 PolarHBondContact O-N 3.37Å; E240-R243 PolarHBondContact O-N 2.56Å; E240-T244 WeakPolarHBondContact O-CB 3.44Å; E240-T244 PolarHBondContact O-N 3.18Å; E240-T244 PolarHBondContact O-OG1 3.15Å
241	E	95.1	Very high	95.1	Very high	86 Å²	86	57.7 Å²	57.7	40%	0.402	30%	0.298	S	S	.	.	H	α-helix	trans	-62.1	-43.4	174.7	-70.7	163.8	137.7	0	0	110.7	F237 T238 R243 T244 L245	F237-E241 HydrophobicContact CB-CB 4.49Å; F237-E241 HydrophobicContact CD1-CB 3.99Å; T238-E241 WeakPolarHBondContact CB-OE2 3.4Å; T238-E241 WeakPolarHBondContact CG2-OE2 3.09Å; T238-E241 PolarHBondContact N-OE2 2.81Å; T238-E241 PolarHBondContact O-N 2.91Å; T238-E241 VanDerWaalsContact OG1-CD 3.27Å; T238-E241 VanDerWaalsContact OG1-CG 3.23Å; T238-E241 WeakPolarHBondContact OG1-CG 3.29Å; T238-E241 PolarHBondContact OG1-N 3.5Å; T238-E241 PolarHBondContact OG1-OE2 3.46Å; E241-R243 PolarHBondContact O-N 2.83Å; E241-T244 PolarHBondContact O-N 2.94Å; E241-L245 WeakPolarHBondContact O-CB 3.46Å; E241-L245 PolarHBondContact O-N 3.42Å
242	K	97.5	Very high	95.2	Very high	28 Å²	28	55.5 Å²	55.5	12%	0.122	29%	0.285	C	S	.	.	H	α-helix	trans	-59	-45.4	176.1	-75	176.7	166.7	-170.1	0	112.4	F237 T238 E240 L245 L246 Y531 L535 D538 T540	F237-K242 HydrophobicContact CB-CG 3.9Å; T238-K242 WeakPolarHBondContact O-CG 3.29Å; T238-K242 PolarHBondContact O-N 3.15Å; E240-K242 VanDerWaalsContact C-N 3.33Å; E240-K242 PolarHBondContact O-N 3.37Å; K242-L245 PolarHBondContact O-N 3.28Å; K242-L246 PolarHBondContact O-N 3.33Å; K242-Y531 VanDerWaalsContact CA-OH 3.31Å; K242-Y531 WeakPolarHBondContact CA-OH 2.98Å; K242-Y531 PolarHBondContact O-OH 3.3Å; K242-L535 HydrophobicContact CB-CD1 4.36Å; K242-L535 HydrophobicContact CB-CD2 3.86Å; K242-L535 HydrophobicContact CD-CD2 3.7Å; K242-L535 HydrophobicContact CG-CD2 4.02Å; K242-D538 IonicContact NZ-OD2 3.77Å; K242-D538 PolarHBondContact NZ-OD2 2.63Å; K242-T540 HydrophobicContact CB-CG2 3.98Å; K242-T540 HydrophobicContact CD-CG2 4.08Å
243	R	96.9	Very high	95.4	Very high	92 Å²	92	53.2 Å²	53.2	35%	0.347	27%	0.269	S	S	.	.	H	α-helix	trans	-65	-40.6	176.5	-78.1	172.3	171.9	-96.6	3	112.2	N239 E240 E241 L246 A247 T540 V541 E545	N239-R243 WeakPolarHBondContact O-CB 3.29Å; N239-R243 VanDerWaalsContact O-CG 3.29Å; N239-R243 WeakPolarHBondContact O-CG 3.31Å; N239-R243 PolarHBondContact O-N 3.12Å; E240-R243 PolarHBondContact O-N 2.56Å; E241-R243 PolarHBondContact O-N 2.83Å; R243-L246 PolarHBondContact O-N 2.89Å; R243-A247 PolarHBondContact O-N 3.18Å; R243-T540 HydrophobicContact CG-CG2 4.31Å; R243-T540 PolarHBondContact NE-O 3.32Å; R243-T540 PolarHBondContact NH2-O 2.88Å; R243-V541 HydrophobicContact CG-CG2 3.71Å; R243-E545 IonicContact CZ-OE1 3.51Å; R243-E545 VanDerWaalsContact CZ-OE1 3.32Å; R243-E545 IonicContact CZ-OE2 2.82Å; R243-E545 VanDerWaalsContact NH1-CD 3.35Å; R243-E545 IonicContact NH1-OE1 3.14Å; R243-E545 PolarHBondContact NH1-OE1 3.47Å; R243-E545 IonicContact NH1-OE2 2.96Å; R243-E545 IonicContact NH2-OE1 2.74Å; R243-E545 PolarHBondContact NH2-OE1 2.99Å; R243-E545 IonicContact NH2-OE2 3.32Å; R243-E545 PolarHBondContact NH2-OE2 3.2Å
244	T	95.9	Very high	95.8	Very high	58 Å²	58	54 Å²	54	36%	0.356	26%	0.259	S	S	.	.	H	α-helix	trans	-63.6	-43.2	175.9	-63.5	0	0	0	0	111.5	E240 E241 A247 R248	E240-T244 WeakPolarHBondContact O-CB 3.44Å; E240-T244 PolarHBondContact O-N 3.18Å; E240-T244 PolarHBondContact O-OG1 3.15Å; E241-T244 PolarHBondContact O-N 2.94Å; T244-A247 PolarHBondContact O-N 2.99Å; T244-R248 WeakPolarHBondContact O-CG 3.42Å; T244-R248 PolarHBondContact O-N 3.25Å
245	L	97.4	Very high	96.2	Very high	6 Å²	6	51.8 Å²	51.8	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-61	-46.8	175.3	178.7	51	0	0	0	111.3	E241 K242 A247 R248 L249 P279 P471 E472 M475 Y531	E241-L245 WeakPolarHBondContact O-CB 3.46Å; E241-L245 PolarHBondContact O-N 3.42Å; K242-L245 PolarHBondContact O-N 3.28Å; L245-A247 PolarHBondContact O-N 2.91Å; L245-R248 PolarHBondContact O-N 2.8Å; L245-L249 HydrophobicContact CD1-CD1 4.28Å; L245-L249 HydrophobicContact CD1-CG 4.28Å; L245-L249 HydrophobicContact CG-CD1 4.32Å; L245-L249 PolarHBondContact O-N 2.95Å; L245-P279 HydrophobicContact CD1-CB 3.5Å; L245-P279 HydrophobicContact CD1-CG 3.86Å; L245-P471 HydrophobicContact CD1-CB 4.21Å; L245-P471 HydrophobicContact CD2-CB 3.69Å; L245-P471 HydrophobicContact CG-CB 4.14Å; L245-E472 HydrophobicContact CD2-CG 4.32Å; L245-M475 HydrophobicContact CD1-CE 4.29Å; L245-M475 HydrophobicContact CD1-CG 3.76Å; L245-M475 HydrophobicContact CD1-SD 3.77Å; L245-M475 HydrophobicContact CD2-CG 3.68Å; L245-M475 HydrophobicContact CG-CG 4.29Å; L245-Y531 HydrophobicContact CB-CE1 4.16Å; L245-Y531 HydrophobicContact CD2-CE1 4.08Å; L245-Y531 HydrophobicContact CD2-CE2 4.34Å; L245-Y531 HydrophobicContact CG-CE1 3.83Å
246	L	98.1	Very high	96.5	Very high	8 Å²	8	49 Å²	49	4%	0.042	23%	0.232	C	C	.	.	H	α-helix	trans	-56.8	-49.8	175.8	-178.4	66.6	0	0	0	111.3	K242 R243 R248 L249 V250 L528 Y531 A532 L535 V541 F546	K242-L246 PolarHBondContact O-N 3.33Å; R243-L246 PolarHBondContact O-N 2.89Å; L246-R248 VanDerWaalsContact C-N 3.3Å; L246-R248 PolarHBondContact O-N 3.01Å; L246-L249 PolarHBondContact O-N 3.39Å; L246-L249 VanDerWaalsContact O-N 3.16Å; L246-V250 WeakPolarHBondContact O-CG2 3.33Å; L246-V250 PolarHBondContact O-N 2.99Å; L246-L528 HydrophobicContact CD1-CD1 3.84Å; L246-Y531 HydrophobicContact CB-CD1 4.35Å; L246-Y531 HydrophobicContact CB-CE1 4.09Å; L246-Y531 HydrophobicContact CD1-CD1 4.08Å; L246-A532 HydrophobicContact CD1-CB 4.15Å; L246-L535 HydrophobicContact CB-CD1 3.94Å; L246-L535 HydrophobicContact CD1-CD1 4.49Å; L246-L535 HydrophobicContact CD2-CD1 4.06Å; L246-L535 HydrophobicContact CG-CD1 4.39Å; L246-V541 HydrophobicContact CD2-CB 4.42Å; L246-V541 HydrophobicContact CD2-CG1 4.05Å; L246-V541 HydrophobicContact CD2-CG2 4.03Å; L246-F546 HydrophobicContact CD1-CD2 4.1Å; L246-F546 HydrophobicContact CD1-CE2 4.1Å; L246-F546 HydrophobicContact CD2-CD2 4.17Å; L246-F546 HydrophobicContact CG-CD2 4.42Å
247	A	97.2	Very high	96.7	Very high	25 Å²	25	43.7 Å²	43.7	21%	0.207	21%	0.212	C	C	.	.	H	α-helix	trans	-61.9	-35.5	179.6	0	0	0	0	0	112.9	R243 T244 L245 R251 E549	R243-A247 PolarHBondContact O-N 3.18Å; T244-A247 PolarHBondContact O-N 2.99Å; L245-A247 PolarHBondContact O-N 2.91Å; A247-R251 VanDerWaalsContact O-CG 3.29Å; A247-R251 WeakPolarHBondContact O-CG 3.47Å; A247-R251 PolarHBondContact O-N 3.12Å; A247-E549 HydrophobicContact CB-CG 4.21Å
248	R	97.6	Very high	96.9	Very high	49 Å²	49	41.8 Å²	41.8	19%	0.185	20%	0.203	C	C	.	.	H	α-helix	trans	-68.4	-41.4	174.3	-72.2	172.5	-176.9	-167.4	-6	111.8	T244 L245 L246 R251 S252 P279 D286	T244-R248 WeakPolarHBondContact O-CG 3.42Å; T244-R248 PolarHBondContact O-N 3.25Å; L245-R248 PolarHBondContact O-N 2.8Å; L246-R248 VanDerWaalsContact C-N 3.3Å; L246-R248 PolarHBondContact O-N 3.01Å; R248-R251 PolarHBondContact O-N 2.88Å; R248-S252 PolarHBondContact O-N 3.22Å; R248-P279 HydrophobicContact CB-CB 3.81Å; R248-P279 HydrophobicContact CB-CG 4.39Å; R248-D286 IonicContact CZ-OD2 2.76Å; R248-D286 VanDerWaalsContact CZ-OD2 3.27Å; R248-D286 IonicContact NH1-OD2 2.71Å; R248-D286 PolarHBondContact NH1-OD2 3.37Å; R248-D286 IonicContact NH2-OD2 3.11Å; R248-D286 PolarHBondContact NH2-OD2 2.96Å
249	L	98.1	Very high	96.8	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-64.7	-42.4	175.3	-75.3	172	0	0	0	112	L245 L246 R251 S252 M253 V276 P279 P471 V527 L528 Y531	L245-L249 HydrophobicContact CD1-CD1 4.28Å; L245-L249 HydrophobicContact CD1-CG 4.28Å; L245-L249 HydrophobicContact CG-CD1 4.32Å; L245-L249 PolarHBondContact O-N 2.95Å; L246-L249 PolarHBondContact O-N 3.39Å; L246-L249 VanDerWaalsContact O-N 3.16Å; L249-R251 VanDerWaalsContact C-N 3.33Å; L249-R251 PolarHBondContact O-N 3.35Å; L249-S252 PolarHBondContact O-N 3.39Å; L249-M253 PolarHBondContact O-N 2.71Å; L249-V276 HydrophobicContact CD2-CB 4.33Å; L249-V276 HydrophobicContact CD2-CG2 4.45Å; L249-P279 HydrophobicContact CD2-CG 3.73Å; L249-P279 HydrophobicContact CG-CG 4.04Å; L249-P471 HydrophobicContact CD1-CB 3.97Å; L249-P471 HydrophobicContact CD1-CG 3.82Å; L249-V527 HydrophobicContact CD2-CG1 4.43Å; L249-L528 HydrophobicContact CB-CD1 3.81Å; L249-Y531 HydrophobicContact CD1-CD1 3.75Å; L249-Y531 HydrophobicContact CD1-CE1 4.43Å; L249-Y531 HydrophobicContact CD1-CG 4.21Å
250	V	98.4	Very high	96.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-54.4	-51.4	173.9	169.3	0	0	0	0	109.8	L246 S252 M253 R254 L528 F546 E549 I550	L246-V250 WeakPolarHBondContact O-CG2 3.33Å; L246-V250 PolarHBondContact O-N 2.99Å; V250-S252 VanDerWaalsContact C-N 3.31Å; V250-S252 PolarHBondContact O-N 2.99Å; V250-M253 PolarHBondContact O-N 3.26Å; V250-R254 HydrophobicContact CG1-CG 3.95Å; V250-R254 WeakPolarHBondContact O-CB 3.47Å; V250-R254 WeakPolarHBondContact O-CG 3.43Å; V250-R254 PolarHBondContact O-N 2.98Å; V250-L528 HydrophobicContact CG2-CD1 3.76Å; V250-L528 HydrophobicContact CG2-CD2 4.25Å; V250-F546 HydrophobicContact CG2-CD2 4.46Å; V250-F546 HydrophobicContact CG2-CE2 4.1Å; V250-E549 HydrophobicContact CB-CG 4.45Å; V250-E549 HydrophobicContact CG1-CG 4.32Å; V250-E549 HydrophobicContact CG2-CG 4.42Å; V250-I550 HydrophobicContact CG1-CG1 4.11Å; V250-I550 HydrophobicContact CG2-CG1 4.38Å
251	R	97.7	Very high	96.7	Very high	56 Å²	56	33.9 Å²	33.9	21%	0.211	16%	0.157	C	C	.	.	H	α-helix	trans	-59.5	-40.7	179	-69.2	175	179	-107.8	0.7	112.8	A247 R248 L249 F255 N311 Y553	A247-R251 VanDerWaalsContact O-CG 3.29Å; A247-R251 WeakPolarHBondContact O-CG 3.47Å; A247-R251 PolarHBondContact O-N 3.12Å; R248-R251 PolarHBondContact O-N 2.88Å; L249-R251 VanDerWaalsContact C-N 3.33Å; L249-R251 PolarHBondContact O-N 3.35Å; R251-F255 VanDerWaalsContact O-CB 3.23Å; R251-F255 WeakPolarHBondContact O-CB 3.37Å; R251-F255 PolarHBondContact O-N 2.9Å; R251-N311 PolarHBondContact O-ND2 3.06Å; R251-Y553 HydrophobicContact CB-CD2 4.26Å; R251-Y553 HydrophobicContact CB-CE1 4.41Å; R251-Y553 HydrophobicContact CB-CE2 3.99Å; R251-Y553 HydrophobicContact CG-CD2 3.6Å; R251-Y553 HydrophobicContact CG-CE2 3.72Å; R251-Y553 HydrophobicContact CG-CG 4.06Å; R251-Y553 VanDerWaalsContact O-CE1 3.25Å; R251-Y553 WeakPolarHBondContact O-CE1 3.34Å
252	S	97.8	Very high	96.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.8	-53.5	179.8	-177.4	0	0	0	0	111.7	R248 L249 V250 E256 E275 I278 N307	R248-S252 PolarHBondContact O-N 3.22Å; L249-S252 PolarHBondContact O-N 3.39Å; V250-S252 VanDerWaalsContact C-N 3.31Å; V250-S252 PolarHBondContact O-N 2.99Å; S252-E256 PolarHBondContact O-N 3.18Å; S252-E275 PolarHBondContact OG-O 3.1Å; S252-I278 VanDerWaalsContact OG-CG1 3.27Å; S252-I278 WeakPolarHBondContact OG-CG1 3.37Å; S252-N307 PolarHBondContact O-ND2 3.35Å; S252-N307 PolarHBondContact OG-ND2 2.89Å
253	M	96.5	Very high	96.4	Very high	18 Å²	18	32.7 Å²	32.7	9%	0.089	15%	0.149	C	C	.	.	H	α-helix	trans	-70.2	-44.7	-175.6	-175.8	166.2	-78.4	0	0	112.3	L249 V250 F255 E256 D257 E275 P526 V527 L528	L249-M253 PolarHBondContact O-N 2.71Å; V250-M253 PolarHBondContact O-N 3.26Å; M253-F255 PolarHBondContact O-N 3.33Å; M253-E256 PolarHBondContact O-N 3.4Å; M253-E256 VanDerWaalsContact O-N 3.11Å; M253-D257 PolarHBondContact O-N 3.04Å; M253-E275 HydrophobicContact CB-CG 4.22Å; M253-E275 VanDerWaalsContact CE-CD 3.47Å; M253-E275 HydrophobicContact CE-CG 3.87Å; M253-E275 VanDerWaalsContact CE-OE1 3.27Å; M253-E275 WeakPolarHBondContact CE-OE1 3.16Å; M253-P526 HydrophobicContact CE-CB 3.49Å; M253-P526 VanDerWaalsContact CE-CB 3.49Å; M253-P526 HydrophobicContact SD-CB 3.97Å; M253-V527 HydrophobicContact CE-CG1 4.35Å; M253-L528 HydrophobicContact CB-CD2 4.08Å; M253-L528 HydrophobicContact CE-CB 3.92Å; M253-L528 HydrophobicContact CG-CD2 4.35Å; M253-L528 HydrophobicContact SD-CB 3.51Å; M253-L528 VanDerWaalsContact SD-CB 3.51Å; M253-L528 HydrophobicContact SD-CD2 3.8Å; M253-L528 HydrophobicContact SD-CG 4.28Å
254	R	97.3	Very high	95.9	Very high	57 Å²	57	32.4 Å²	32.4	22%	0.215	16%	0.161	C	C	.	.	H	α-helix	trans	-65.6	-27.6	-179.3	-64.9	-52.6	-61.3	174.6	-16.6	112.6	V250 D257 F258 I550 Y553 D554	V250-R254 HydrophobicContact CG1-CG 3.95Å; V250-R254 WeakPolarHBondContact O-CB 3.47Å; V250-R254 WeakPolarHBondContact O-CG 3.43Å; V250-R254 PolarHBondContact O-N 2.98Å; R254-D257 IonicContact CZ-OD2 2.71Å; R254-D257 IonicContact NH1-OD2 3.55Å; R254-D257 PolarHBondContact NH1-OD2 3.2Å; R254-F258 VanDerWaalsContact O-CB 3.23Å; R254-F258 WeakPolarHBondContact O-CB 3.43Å; R254-F258 PolarHBondContact O-N 2.92Å; R254-I550 HydrophobicContact CG-CG2 4.28Å; R254-Y553 HydrophobicContact CB-CD1 3.65Å; R254-Y553 HydrophobicContact CB-CE1 4.21Å; R254-D554 IonicContact CZ-OD1 3.49Å; R254-D554 IonicContact CZ-OD2 2.8Å; R254-D554 IonicContact NE-OD1 3.72Å; R254-D554 PolarHBondContact NE-OD1 2.96Å; R254-D554 IonicContact NE-OD2 3.64Å; R254-D554 VanDerWaalsContact NH2-CG 3.33Å; R254-D554 IonicContact NH2-OD1 2.89Å; R254-D554 PolarHBondContact NH2-OD1 3.23Å; R254-D554 IonicContact NH2-OD2 3.52Å; R254-D554 PolarHBondContact NH2-OD2 2.84Å
255	F	97.6	Very high	95.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.1	-46.5	171.8	-176.3	-101.8	0	0	0	111.6	R251 M253 F258 L259 L306 N307 A310 L317 F321 Y553	R251-F255 VanDerWaalsContact O-CB 3.23Å; R251-F255 WeakPolarHBondContact O-CB 3.37Å; R251-F255 PolarHBondContact O-N 2.9Å; M253-F255 PolarHBondContact O-N 3.33Å; F255-F258 WeakPolarHBondContact O-CB 3.48Å; F255-F258 PolarHBondContact O-N 2.8Å; F255-L259 HydrophobicContact CD1-CD1 4.15Å; F255-L259 HydrophobicContact CD1-CG 4.46Å; F255-L259 HydrophobicContact CE1-CD1 3.54Å; F255-L259 HydrophobicContact CE1-CG 4.11Å; F255-L259 HydrophobicContact CZ-CD1 3.91Å; F255-L259 HydrophobicContact CZ-CD2 4.29Å; F255-L259 HydrophobicContact CZ-CG 4.21Å; F255-L259 WeakPolarHBondContact O-CG 3.09Å; F255-L259 PolarHBondContact O-N 2.95Å; F255-L306 HydrophobicContact CE1-CB 4.01Å; F255-L306 HydrophobicContact CZ-CB 4.33Å; F255-N307 HydrophobicContact CD1-CB 3.93Å; F255-N307 HydrophobicContact CE1-CB 4.2Å; F255-A310 HydrophobicContact CD2-CB 4.19Å; F255-A310 HydrophobicContact CE1-CB 4.38Å; F255-A310 HydrophobicContact CE2-CB 3.74Å; F255-A310 HydrophobicContact CZ-CB 3.84Å; F255-L317 HydrophobicContact CD2-CD2 4.24Å; F255-L317 HydrophobicContact CE2-CD2 3.7Å; F255-F321 AromaticContact CE2-CE1 3.8Å; F255-F321 HydrophobicContact CE2-CE1 3.8Å; F255-F321 HydrophobicContact CE2-CZ 4.13Å; F255-F321 HydrophobicContact CZ-CE1 4.35Å; F255-Y553 HydrophobicContact CB-CE1 3.96Å
256	E	96.1	Very high	94.9	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.019	19%	0.186	C	C	.	.	H	α-helix	trans	-63.1	-45.9	176.4	-61.5	-59.1	159.9	0	0	111.7	S252 M253 F258 L259 A260 G270 L271 E272 N307	S252-E256 PolarHBondContact O-N 3.18Å; M253-E256 PolarHBondContact O-N 3.4Å; M253-E256 VanDerWaalsContact O-N 3.11Å; E256-F258 VanDerWaalsContact C-N 3.25Å; E256-F258 PolarHBondContact O-N 2.86Å; E256-L259 PolarHBondContact O-N 2.95Å; E256-A260 WeakPolarHBondContact O-CB 3.44Å; E256-A260 PolarHBondContact O-N 2.68Å; E256-G270 VanDerWaalsContact OE2-CA 3.23Å; E256-G270 WeakPolarHBondContact OE2-CA 3.49Å; E256-L271 VanDerWaalsContact CD-N 3.29Å; E256-L271 HydrophobicContact CG-CB 4.23Å; E256-L271 WeakPolarHBondContact OE1-CB 3.34Å; E256-L271 PolarHBondContact OE1-N 3.28Å; E256-E272 HydrophobicContact CB-CG 3.94Å; E256-E272 HydrophobicContact CG-CG 4.32Å; E256-N307 WeakPolarHBondContact OE1-CB 3.17Å; E256-N307 PolarHBondContact OE1-ND2 3.35Å
257	D	95.7	Very high	94.3	Very high	63 Å²	63	41.1 Å²	41.1	34%	0.337	21%	0.205	S	C	.	.	H	α-helix	trans	-57.2	-41.2	175.7	-75.2	-19.9	0	0	0	111.6	M253 R254 A260 R261	M253-D257 PolarHBondContact O-N 3.04Å; R254-D257 IonicContact CZ-OD2 2.71Å; R254-D257 IonicContact NH1-OD2 3.55Å; R254-D257 PolarHBondContact NH1-OD2 3.2Å; D257-A260 PolarHBondContact O-N 3.44Å; D257-R261 WeakPolarHBondContact O-CB 3.09Å; D257-R261 PolarHBondContact O-N 3.22Å
258	F	96.8	Very high	93.9	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-63.6	-49.1	178.3	-173.3	-89.3	0	0	0	111.4	R254 F255 E256 A260 R261 K262 W263 F321 C557 E558 Y561	R254-F258 VanDerWaalsContact O-CB 3.23Å; R254-F258 WeakPolarHBondContact O-CB 3.43Å; R254-F258 PolarHBondContact O-N 2.92Å; F255-F258 WeakPolarHBondContact O-CB 3.48Å; F255-F258 PolarHBondContact O-N 2.8Å; E256-F258 VanDerWaalsContact C-N 3.25Å; E256-F258 PolarHBondContact O-N 2.86Å; F258-A260 VanDerWaalsContact C-N 3.35Å; F258-A260 PolarHBondContact O-N 3.12Å; F258-R261 PolarHBondContact O-N 3.16Å; F258-K262 HydrophobicContact CD1-CG 4.07Å; F258-K262 HydrophobicContact CE1-CG 3.67Å; F258-K262 HydrophobicContact CE2-CG 4.31Å; F258-K262 HydrophobicContact CZ-CD 4.29Å; F258-K262 HydrophobicContact CZ-CG 3.8Å; F258-K262 WeakPolarHBondContact O-CG 3.48Å; F258-K262 PolarHBondContact O-N 3.21Å; F258-W263 HydrophobicContact CD1-CZ3 4.44Å; F258-W263 HydrophobicContact CE1-CZ3 4.22Å; F258-F321 HydrophobicContact CD1-CE1 4.27Å; F258-F321 HydrophobicContact CD1-CE2 4.42Å; F258-F321 AromaticContact CD1-CZ 3.84Å; F258-F321 HydrophobicContact CD1-CZ 3.84Å; F258-F321 HydrophobicContact CE1-CD2 4.48Å; F258-F321 HydrophobicContact CE1-CE1 4.25Å; F258-F321 AromaticContact CE1-CE2 3.79Å; F258-F321 HydrophobicContact CE1-CE2 3.79Å; F258-F321 AromaticContact CE1-CZ 3.67Å; F258-F321 HydrophobicContact CE1-CZ 3.67Å; F258-F321 HydrophobicContact CZ-CE2 4.44Å; F258-C557 HydrophobicContact CB-CB 4.42Å; F258-C557 HydrophobicContact CD1-CB 4.04Å; F258-C557 HydrophobicContact CD2-CB 3.39Å; F258-C557 HydrophobicContact CE1-CB 4.12Å; F258-C557 HydrophobicContact CE2-CB 3.48Å; F258-C557 VanDerWaalsContact CE2-CB 3.48Å; F258-C557 HydrophobicContact CG-CB 3.7Å; F258-C557 HydrophobicContact CZ-CB 3.86Å; F258-C557 WeakPolarHBondContact CZ-O 3.4Å; F258-E558 HydrophobicContact CE2-CG 3.9Å; F258-E558 WeakPolarHBondContact CE2-OE1 3.37Å; F258-Y561 HydrophobicContact CZ-CG 4.15Å
259	L	94.9	Very high	93.7	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-60.1	-46.2	177.2	-67.2	-172.2	0	0	0	111.2	F255 E256 R261 K262 W263 L306 F321 F324	F255-L259 HydrophobicContact CD1-CD1 4.15Å; F255-L259 HydrophobicContact CD1-CG 4.46Å; F255-L259 HydrophobicContact CE1-CD1 3.54Å; F255-L259 HydrophobicContact CE1-CG 4.11Å; F255-L259 HydrophobicContact CZ-CD1 3.91Å; F255-L259 HydrophobicContact CZ-CD2 4.29Å; F255-L259 HydrophobicContact CZ-CG 4.21Å; F255-L259 WeakPolarHBondContact O-CG 3.09Å; F255-L259 PolarHBondContact O-N 2.95Å; E256-L259 PolarHBondContact O-N 2.95Å; L259-R261 VanDerWaalsContact C-N 3.27Å; L259-R261 PolarHBondContact O-N 3.35Å; L259-K262 PolarHBondContact O-N 3.02Å; L259-W263 HydrophobicContact CD2-CE3 3.75Å; L259-W263 HydrophobicContact CD2-CZ3 3.51Å; L259-W263 PolarHBondContact O-N 2.9Å; L259-L306 HydrophobicContact CD1-CD1 4.13Å; L259-F321 HydrophobicContact CD2-CD1 4.13Å; L259-F321 HydrophobicContact CD2-CE1 3.73Å; L259-F324 HydrophobicContact CD1-CZ 4.47Å; L259-F324 HydrophobicContact CD2-CE2 4.33Å; L259-F324 HydrophobicContact CD2-CZ 4.23Å
260	A	93.3	Very high	93.4	Very high	25 Å²	25	39.4 Å²	39.4	21%	0.207	20%	0.195	C	C	.	.	H	α-helix	trans	-60.2	-36.3	179.3	0	0	0	0	0	112.7	E256 D257 F258 S264	E256-A260 WeakPolarHBondContact O-CB 3.44Å; E256-A260 PolarHBondContact O-N 2.68Å; D257-A260 PolarHBondContact O-N 3.44Å; F258-A260 VanDerWaalsContact C-N 3.35Å; F258-A260 PolarHBondContact O-N 3.12Å; A260-S264 WeakPolarHBondContact O-CA 3.4Å; A260-S264 WeakPolarHBondContact O-CB 3.46Å; A260-S264 PolarHBondContact O-N 2.87Å
261	R	94.7	Very high	93.3	Very high	133 Å²	133	39.4 Å²	39.4	50%	0.502	20%	0.195	S	C	.	.	H	α-helix	trans	-75.5	-39.7	178.6	179	169.5	55.1	92	1.6	112.9	D257 F258 L259 E558	D257-R261 WeakPolarHBondContact O-CB 3.09Å; D257-R261 PolarHBondContact O-N 3.22Å; F258-R261 PolarHBondContact O-N 3.16Å; L259-R261 VanDerWaalsContact C-N 3.27Å; L259-R261 PolarHBondContact O-N 3.35Å; R261-E558 IonicContact CZ-OE1 3.16Å; R261-E558 VanDerWaalsContact CZ-OE1 3.26Å; R261-E558 IonicContact NH1-OE1 3.98Å; R261-E558 PolarHBondContact NH1-OE1 3.43Å; R261-E558 IonicContact NH2-OE1 3.58Å; R261-E558 PolarHBondContact NH2-OE1 3.49Å
262	K	93.9	Very high	93.2	Very high	56 Å²	56	37.6 Å²	37.6	24%	0.243	19%	0.189	C	C	.	.	H	α-helix	trans	-82.9	-33.2	-176.8	-66	-64.9	-175.2	172.3	0	112.9	F258 L259 E558 Y561	F258-K262 HydrophobicContact CD1-CG 4.07Å; F258-K262 HydrophobicContact CE1-CG 3.67Å; F258-K262 HydrophobicContact CE2-CG 4.31Å; F258-K262 HydrophobicContact CZ-CD 4.29Å; F258-K262 HydrophobicContact CZ-CG 3.8Å; F258-K262 WeakPolarHBondContact O-CG 3.48Å; F258-K262 PolarHBondContact O-N 3.21Å; L259-K262 PolarHBondContact O-N 3.02Å; K262-E558 VanDerWaalsContact CE-OE1 3.24Å; K262-E558 WeakPolarHBondContact CE-OE1 3.44Å; K262-E558 WeakPolarHBondContact CE-OE2 3.31Å; K262-E558 VanDerWaalsContact NZ-CD 3.33Å; K262-E558 IonicContact NZ-OE1 2.7Å; K262-E558 PolarHBondContact NZ-OE1 2.84Å; K262-E558 VanDerWaalsContact NZ-OE1 3.11Å; K262-E558 IonicContact NZ-OE2 3.34Å; K262-E558 PolarHBondContact NZ-OE2 3.29Å; K262-Y561 HydrophobicContact CD-CD1 4.36Å; K262-Y561 HydrophobicContact CD-CE1 4.14Å; K262-Y561 HydrophobicContact CD-CE2 4.43Å
263	W	91.8	Very high	93.2	Very high	33 Å²	33	37.6 Å²	37.6	13%	0.125	19%	0.19	C	C	.	.			trans	-136.4	64.1	-174.9	-58.5	-79.1	0	0	0	111.6	F258 L259 S265 E266 F321 F324 Y561	F258-W263 HydrophobicContact CD1-CZ3 4.44Å; F258-W263 HydrophobicContact CE1-CZ3 4.22Å; L259-W263 HydrophobicContact CD2-CE3 3.75Å; L259-W263 HydrophobicContact CD2-CZ3 3.51Å; L259-W263 PolarHBondContact O-N 2.9Å; W263-S265 VanDerWaalsContact C-N 3.26Å; W263-S265 PolarHBondContact O-N 3.3Å; W263-E266 HydrophobicContact CB-CB 3.9Å; W263-E266 HydrophobicContact CB-CG 3.95Å; W263-E266 HydrophobicContact CG-CG 4.48Å; W263-E266 PolarHBondContact O-N 3.48Å; W263-F321 HydrophobicContact CH2-CB 3.75Å; W263-F321 AromaticContact CH2-CD1 3.71Å; W263-F321 HydrophobicContact CH2-CD1 3.71Å; W263-F321 HydrophobicContact CH2-CD2 4.48Å; W263-F321 HydrophobicContact CH2-CE1 4.44Å; W263-F321 AromaticContact CH2-CG 3.73Å; W263-F321 HydrophobicContact CH2-CG 3.73Å; W263-F321 HydrophobicContact CZ2-CB 4.31Å; W263-F321 AromaticContact CZ3-CD1 3.88Å; W263-F321 HydrophobicContact CZ3-CD1 3.88Å; W263-F321 HydrophobicContact CZ3-CE1 4.26Å; W263-F321 HydrophobicContact CZ3-CG 4.34Å; W263-F324 HydrophobicContact CB-CD1 3.99Å; W263-F324 HydrophobicContact CB-CE1 4.37Å; W263-F324 HydrophobicContact CD2-CB 3.86Å; W263-F324 AromaticContact CD2-CD1 3.82Å; W263-F324 HydrophobicContact CD2-CD1 3.82Å; W263-F324 HydrophobicContact CD2-CD2 4.48Å; W263-F324 HydrophobicContact CD2-CE1 4.44Å; W263-F324 AromaticContact CD2-CG 3.83Å; W263-F324 HydrophobicContact CD2-CG 3.83Å; W263-F324 AromaticContact CE2-CG 3.83Å; W263-F324 HydrophobicContact CE3-CD1 4.25Å; W263-F324 HydrophobicContact CE3-CE1 4.48Å; W263-F324 HydrophobicContact CE3-CG 4.25Å; W263-F324 HydrophobicContact CG-CB 4.03Å; W263-F324 AromaticContact CG-CD1 3.7Å; W263-F324 HydrophobicContact CG-CD1 3.7Å; W263-F324 HydrophobicContact CG-CE1 4.42Å; W263-F324 HydrophobicContact CG-CG 4.09Å; W263-F324 HydrophobicContact CZ2-CB 3.8Å; W263-F324 HydrophobicContact CZ2-CD2 4.47Å; W263-F324 HydrophobicContact CZ2-CG 4.23Å; W263-Y561 AromaticContact CH2-CD2 3.68Å; W263-Y561 HydrophobicContact CH2-CD2 3.68Å; W263-Y561 AromaticContact CH2-CE2 3.97Å; W263-Y561 HydrophobicContact CH2-CE2 3.97Å; W263-Y561 AromaticContact CZ2-CD2 3.78Å; W263-Y561 HydrophobicContact CZ2-CD2 3.78Å; W263-Y561 AromaticContact CZ2-CE2 3.61Å; W263-Y561 HydrophobicContact CZ2-CE2 3.61Å
264	S	87.6	Confident	93.2	Very high	85 Å²	85	36.8 Å²	36.8	59%	0.594	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-27.8	-175.5	55.9	0	0	0	0	114.6	A260	A260-S264 WeakPolarHBondContact O-CA 3.4Å; A260-S264 WeakPolarHBondContact O-CB 3.46Å; A260-S264 PolarHBondContact O-N 2.87Å
265	S	84.8	Confident	93.3	Very high	83 Å²	83	34.6 Å²	34.6	58%	0.58	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-6.8	-179.8	56.7	0	0	0	0	114.3	W263	W263-S265 VanDerWaalsContact C-N 3.26Å; W263-S265 PolarHBondContact O-N 3.3Å
266	E	86.7	Confident	93.3	Very high	71 Å²	71	34.6 Å²	34.6	33%	0.332	18%	0.178	S	C	.	.	S	Bend	trans	-88.4	134.3	-177.3	-75.8	-72.7	123.4	0	0	111.2	W263 R268 F324 K339	W263-E266 HydrophobicContact CB-CB 3.9Å; W263-E266 HydrophobicContact CB-CG 3.95Å; W263-E266 HydrophobicContact CG-CG 4.48Å; W263-E266 PolarHBondContact O-N 3.48Å; E266-R268 PolarHBondContact O-N 2.97Å; E266-F324 HydrophobicContact CB-CD1 4.03Å; E266-F324 HydrophobicContact CB-CE1 4.13Å; E266-F324 HydrophobicContact CG-CD1 4.04Å; E266-K339 IonicContact OE2-NZ 2.76Å; E266-K339 PolarHBondContact OE2-NZ 3.22Å
267	K	86.9	Confident	93.4	Very high	102 Å²	102	34.4 Å²	34.4	44%	0.443	18%	0.177	S	C	.	.			trans	-69.7	118.8	170.1	-61.4	-175	-178.6	177.8	0	108.8	F269 N505	K267-F269 HydrophobicContact CB-CE2 4.41Å; K267-N505 HydrophobicContact CB-CB 4.48Å; K267-N505 HydrophobicContact CD-CB 4.03Å; K267-N505 HydrophobicContact CG-CB 4Å
268	R	88.9	Confident	93.5	Very high	9 Å²	9	31.5 Å²	31.5	3%	0.034	16%	0.162	C	C	.	.			trans	-121.9	-18.2	-179.9	61.8	-179.1	-175.8	-74.2	-4.1	113.3	E266 E272 L306 E506	E266-R268 PolarHBondContact O-N 2.97Å; R268-E272 IonicContact CZ-OE1 2.75Å; R268-E272 IonicContact NE-OE1 3.26Å; R268-E272 IonicContact NH2-OE1 3.57Å; R268-E272 PolarHBondContact NH2-OE1 3.41Å; R268-L306 HydrophobicContact CB-CD1 4.39Å; R268-E506 VanDerWaalsContact CG-CD 3.48Å; R268-E506 HydrophobicContact CG-CG 4.43Å; R268-E506 WeakPolarHBondContact CG-OE1 3.5Å; R268-E506 IonicContact CZ-OE1 3.01Å; R268-E506 PolarHBondContact N-OE2 3.2Å; R268-E506 IonicContact NE-OE1 2.64Å; R268-E506 VanDerWaalsContact NH1-CG 3.34Å
269	F	91.8	Very high	93.6	Very high	24 Å²	24	31.5 Å²	31.5	11%	0.105	16%	0.161	C	C	.	.			trans	56.4	52.7	-176.3	-57.9	-81.3	0	0	0	111.9	K267 H302 G304 Y340 H504 N505 E506	K267-F269 HydrophobicContact CB-CE2 4.41Å; F269-H302 HydrophobicContact CB-CB 4.01Å; F269-H302 HydrophobicContact CD1-CB 4.48Å; F269-H302 AromaticContact CD1-CD2 3.33Å; F269-H302 WeakPolarHBondContact CD1-CD2 3.34Å; F269-H302 AromaticContact CD1-CG 3.94Å; F269-H302 AromaticContact CD1-NE2 3.82Å; F269-H302 HydrophobicContact CD2-CB 3.95Å; F269-H302 HydrophobicContact CG-CB 3.9Å; F269-H302 AromaticContact CG-CD2 3.51Å; F269-H302 AromaticContact CG-CG 3.86Å; F269-G304 PolarHBondContact O-N 2.97Å; F269-Y340 HydrophobicContact CD2-CD1 4.03Å; F269-Y340 HydrophobicContact CD2-CD2 4.24Å; F269-Y340 HydrophobicContact CD2-CE1 4.04Å; F269-Y340 HydrophobicContact CD2-CE2 4.2Å; F269-Y340 HydrophobicContact CD2-CG 4.16Å; F269-Y340 HydrophobicContact CE2-CD1 4.31Å; F269-Y340 HydrophobicContact CE2-CD2 4.15Å; F269-Y340 AromaticContact CE2-CE1 3.9Å; F269-Y340 HydrophobicContact CE2-CE1 3.9Å; F269-Y340 AromaticContact CE2-CE2 3.67Å; F269-Y340 HydrophobicContact CE2-CE2 3.67Å; F269-Y340 HydrophobicContact CE2-CG 4.44Å; F269-Y340 AromaticContact CE2-CZ 3.57Å; F269-H504 WeakPolarHBondContact CD1-O 3.45Å; F269-N505 HydrophobicContact CE1-CB 4.31Å; F269-E506 WeakPolarHBondContact CA-OE1 3.23Å; F269-E506 PolarHBondContact N-OE1 3.45Å; F269-E506 PolarHBondContact N-OE2 3.39Å
270	G	92.2	Very high	93.8	Very high	5 Å²	5	31.4 Å²	31.4	5%	0.052	16%	0.161	C	C	.	.			trans	-61.7	164.5	-172	0	0	0	0	0	114.4	E256 E272 R303 E506	E256-G270 VanDerWaalsContact OE2-CA 3.23Å; E256-G270 WeakPolarHBondContact OE2-CA 3.49Å; G270-E272 VanDerWaalsContact C-N 3.34Å; G270-E272 VanDerWaalsContact CA-OE2 3.23Å; G270-E272 WeakPolarHBondContact CA-OE2 3.25Å; G270-R303 VanDerWaalsContact O-CD 3.24Å; G270-R303 WeakPolarHBondContact O-CD 3.32Å; G270-R303 PolarHBondContact O-NE 3.47Å; G270-E506 PolarHBondContact N-OE1 2.87Å
271	L	96.6	Very high	94.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.151	C	C	.	.			trans	-89.4	5.4	-177	-167.1	56.9	0	0	0	113.2	E256 G273 C274 M277 I278 N307	E256-L271 VanDerWaalsContact CD-N 3.29Å; E256-L271 HydrophobicContact CG-CB 4.23Å; E256-L271 WeakPolarHBondContact OE1-CB 3.34Å; E256-L271 PolarHBondContact OE1-N 3.28Å; L271-G273 PolarHBondContact O-N 3.32Å; L271-C274 HydrophobicContact CD1-CB 4.04Å; L271-C274 WeakPolarHBondContact CD1-O 3.35Å; L271-C274 WeakPolarHBondContact CG-O 3.43Å; L271-C274 CarbonylContact O-C 3.52Å; L271-C274 PolarHBondContact O-N 2.92Å; L271-M277 HydrophobicContact CD1-CB 4.18Å; L271-M277 HydrophobicContact CD1-CE 3.57Å; L271-M277 HydrophobicContact CD1-SD 3.94Å; L271-M277 HydrophobicContact CD2-CB 4.19Å; L271-M277 HydrophobicContact CD2-CE 3.76Å; L271-M277 HydrophobicContact CG-CE 4.3Å; L271-I278 HydrophobicContact CD2-CD1 4.11Å; L271-I278 HydrophobicContact CD2-CG1 3.71Å; L271-N307 HydrophobicContact CD2-CB 4.45Å
272	E	96.6	Very high	94.2	Very high	18 Å²	18	24.6 Å²	24.6	8%	0.084	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	123.1	-171.5	-56.4	100	133.3	0	0	112.1	E256 R268 G270 E275 R303 R501	E256-E272 HydrophobicContact CB-CG 3.94Å; E256-E272 HydrophobicContact CG-CG 4.32Å; R268-E272 IonicContact CZ-OE1 2.75Å; R268-E272 IonicContact NE-OE1 3.26Å; R268-E272 IonicContact NH2-OE1 3.57Å; R268-E272 PolarHBondContact NH2-OE1 3.41Å; G270-E272 VanDerWaalsContact C-N 3.34Å; G270-E272 VanDerWaalsContact CA-OE2 3.23Å; G270-E272 WeakPolarHBondContact CA-OE2 3.25Å; E272-E275 VanDerWaalsContact CA-OE1 3.31Å; E272-E275 WeakPolarHBondContact CA-OE1 3.32Å; E272-R303 PolarHBondContact O-NH2 2.99Å; E272-R501 HydrophobicContact CB-CB 3.59Å; E272-R501 HydrophobicContact CB-CG 4.24Å; E272-R501 WeakPolarHBondContact O-CB 3.36Å; E272-R501 PolarHBondContact O-N 2.95Å
273	G	96.4	Very high	94.4	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.01	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.4	-2.7	-171.3	0	0	0	0	0	115.5	L271 E275 C498 Y499	L271-G273 PolarHBondContact O-N 3.32Å; G273-E275 VanDerWaalsContact N-CD 3.32Å; G273-E275 PolarHBondContact N-OE1 3.09Å; G273-E275 PolarHBondContact N-OE2 3.49Å; G273-E275 VanDerWaalsContact N-OE2 3.17Å; G273-C498 WeakPolarHBondContact O-CB 3.46Å; G273-Y499 CarbonylContact C-O 3.53Å; G273-Y499 WeakPolarHBondContact CA-O 3.34Å; G273-Y499 PolarHBondContact O-N 3.28Å
274	C	97.9	Very high	94.7	Very high	1 Å²	1	21 Å²	21	1%	0.007	12%	0.117	C	C	.	.			trans	-144.9	34.4	172.7	-167.1	0	0	0	0	112.3	L271 V276 M277 V433 C498	L271-C274 HydrophobicContact CD1-CB 4.04Å; L271-C274 WeakPolarHBondContact CD1-O 3.35Å; L271-C274 WeakPolarHBondContact CG-O 3.43Å; L271-C274 CarbonylContact O-C 3.52Å; L271-C274 PolarHBondContact O-N 2.92Å; C274-V276 PolarHBondContact O-N 2.94Å; C274-M277 WeakPolarHBondContact O-CB 3.37Å; C274-M277 PolarHBondContact O-N 2.65Å; C274-V433 HydrophobicContact CB-CG1 4.14Å; C274-C498 HydrophobicContact CB-CB 3.73Å
275	E	97.7	Very high	95.3	Very high	11 Å²	11	17.1 Å²	17.1	5%	0.051	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.8	-175.9	-60.4	87.5	164.1	0	0	112.6	S252 M253 E272 G273 M277 I278 P279 V527	S252-E275 PolarHBondContact OG-O 3.1Å; M253-E275 HydrophobicContact CB-CG 4.22Å; M253-E275 VanDerWaalsContact CE-CD 3.47Å; M253-E275 HydrophobicContact CE-CG 3.87Å; M253-E275 VanDerWaalsContact CE-OE1 3.27Å; M253-E275 WeakPolarHBondContact CE-OE1 3.16Å; E272-E275 VanDerWaalsContact CA-OE1 3.31Å; E272-E275 WeakPolarHBondContact CA-OE1 3.32Å; G273-E275 VanDerWaalsContact N-CD 3.32Å; G273-E275 PolarHBondContact N-OE1 3.09Å; G273-E275 PolarHBondContact N-OE2 3.49Å; G273-E275 VanDerWaalsContact N-OE2 3.17Å; E275-M277 PolarHBondContact O-N 3.21Å; E275-M277 VanDerWaalsContact O-N 3.14Å; E275-I278 PolarHBondContact O-N 3.35Å; E275-P279 WeakPolarHBondContact O-CD 3.45Å; E275-V527 HydrophobicContact CB-CG1 4.21Å
276	V	98.3	Very high	95.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-18.3	174.2	79	0	0	0	0	113.7	L249 C274 I278 P279 A280 A468 P471 V474 M475	L249-V276 HydrophobicContact CD2-CB 4.33Å; L249-V276 HydrophobicContact CD2-CG2 4.45Å; C274-V276 PolarHBondContact O-N 2.94Å; V276-I278 PolarHBondContact O-N 3.24Å; V276-P279 HydrophobicContact CG2-CG 4.25Å; V276-P279 WeakPolarHBondContact O-CD 2.95Å; V276-P279 WeakPolarHBondContact O-CG 3.38Å; V276-A280 VanDerWaalsContact O-CB 3.3Å; V276-A280 WeakPolarHBondContact O-CB 3.17Å; V276-A280 PolarHBondContact O-N 3.04Å; V276-A468 HydrophobicContact CG1-CB 3.78Å; V276-A468 WeakPolarHBondContact CG1-O 3.49Å; V276-P471 HydrophobicContact CG2-CB 4.15Å; V276-P471 HydrophobicContact CG2-CG 4.49Å; V276-V474 HydrophobicContact CG1-CG1 4.4Å; V276-V474 HydrophobicContact CG1-CG2 4.22Å; V276-V474 HydrophobicContact CG2-CB 3.93Å; V276-V474 HydrophobicContact CG2-CG1 3.98Å; V276-V474 HydrophobicContact CG2-CG2 4.02Å; V276-M475 HydrophobicContact CG2-CE 4.19Å
277	M	98.3	Very high	96.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-58.6	-34.3	177.3	-175.4	-173.5	77.9	0	0	112.2	L271 C274 E275 A280 L281 M300 V308 L399 V433 L496	L271-M277 HydrophobicContact CD1-CB 4.18Å; L271-M277 HydrophobicContact CD1-CE 3.57Å; L271-M277 HydrophobicContact CD1-SD 3.94Å; L271-M277 HydrophobicContact CD2-CB 4.19Å; L271-M277 HydrophobicContact CD2-CE 3.76Å; L271-M277 HydrophobicContact CG-CE 4.3Å; C274-M277 WeakPolarHBondContact O-CB 3.37Å; C274-M277 PolarHBondContact O-N 2.65Å; E275-M277 PolarHBondContact O-N 3.21Å; E275-M277 VanDerWaalsContact O-N 3.14Å; M277-A280 WeakPolarHBondContact O-CB 3.48Å; M277-A280 PolarHBondContact O-N 2.93Å; M277-L281 HydrophobicContact CG-CD1 4.37Å; M277-L281 HydrophobicContact CG-CG 4.46Å; M277-L281 WeakPolarHBondContact O-CG 3.44Å; M277-L281 PolarHBondContact O-N 2.95Å; M277-M300 HydrophobicContact CE-CE 4.39Å; M277-V308 HydrophobicContact CE-CG2 3.61Å; M277-L399 HydrophobicContact CE-CD2 4.26Å; M277-L399 HydrophobicContact CG-CD2 4.13Å; M277-L399 HydrophobicContact SD-CD2 3.52Å; M277-L399 VanDerWaalsContact SD-CD2 3.52Å; M277-V433 HydrophobicContact SD-CG2 3.48Å; M277-V433 WeakPolarHBondContact SD-CG2 3.32Å; M277-L496 HydrophobicContact CB-CD1 4.15Å; M277-L496 HydrophobicContact CG-CD1 4.27Å
278	I	98.5	Very high	96.9	Very high	2 Å²	2	8.4 Å²	8.4	1%	0.01	4%	0.041	C	C	.	.	H	α-helix	trans	-66.6	-52.7	179.2	-60.9	-60.8	0	0	0	112.3	S252 L271 E275 V276 A280 K282 N307 V308 N311 V312	S252-I278 VanDerWaalsContact OG-CG1 3.27Å; S252-I278 WeakPolarHBondContact OG-CG1 3.37Å; L271-I278 HydrophobicContact CD2-CD1 4.11Å; L271-I278 HydrophobicContact CD2-CG1 3.71Å; E275-I278 PolarHBondContact O-N 3.35Å; V276-I278 PolarHBondContact O-N 3.24Å; I278-A280 VanDerWaalsContact C-N 3.27Å; I278-A280 PolarHBondContact O-N 2.76Å; I278-K282 VanDerWaalsContact O-CG 3.31Å; I278-K282 WeakPolarHBondContact O-CG 3.47Å; I278-K282 PolarHBondContact O-N 3.19Å; I278-K282 VanDerWaalsContact O-N 3.16Å; I278-N307 HydrophobicContact CD1-CB 3.95Å; I278-N307 WeakPolarHBondContact CD1-OD1 3.49Å; I278-N307 HydrophobicContact CG1-CB 4.42Å; I278-N307 WeakPolarHBondContact CG1-OD1 3.49Å; I278-V308 HydrophobicContact CD1-CG2 3.86Å; I278-N311 HydrophobicContact CG2-CB 3.81Å; I278-V312 HydrophobicContact CD1-CG2 4.03Å; I278-V312 HydrophobicContact CG2-CG2 4.25Å
279	P	98.4	Very high	97.3	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-61.8	-33.9	171.5	18.3	-26.8	0	0	0	112.8	L245 R248 L249 E275 V276 K282 T283 M475	L245-P279 HydrophobicContact CD1-CB 3.5Å; L245-P279 HydrophobicContact CD1-CG 3.86Å; R248-P279 HydrophobicContact CB-CB 3.81Å; R248-P279 HydrophobicContact CB-CG 4.39Å; L249-P279 HydrophobicContact CD2-CG 3.73Å; L249-P279 HydrophobicContact CG-CG 4.04Å; E275-P279 WeakPolarHBondContact O-CD 3.45Å; V276-P279 HydrophobicContact CG2-CG 4.25Å; V276-P279 WeakPolarHBondContact O-CD 2.95Å; V276-P279 WeakPolarHBondContact O-CG 3.38Å; P279-K282 WeakPolarHBondContact O-CB 3.41Å; P279-K282 PolarHBondContact O-N 3.14Å; P279-T283 WeakPolarHBondContact O-CB 3.25Å; P279-T283 PolarHBondContact O-N 3.4Å; P279-T283 PolarHBondContact O-OG1 3.39Å; P279-M475 HydrophobicContact CB-CE 3.96Å; P279-M475 HydrophobicContact CB-SD 3.79Å; P279-M475 HydrophobicContact CG-CE 4.36Å
280	A	98.7	Very high	97.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-58.8	-53.4	177.7	0	0	0	0	0	111.9	V276 M277 I278 K282 T283 I284 V474 M475	V276-A280 VanDerWaalsContact O-CB 3.3Å; V276-A280 WeakPolarHBondContact O-CB 3.17Å; V276-A280 PolarHBondContact O-N 3.04Å; M277-A280 WeakPolarHBondContact O-CB 3.48Å; M277-A280 PolarHBondContact O-N 2.93Å; I278-A280 VanDerWaalsContact C-N 3.27Å; I278-A280 PolarHBondContact O-N 2.76Å; A280-K282 VanDerWaalsContact C-N 3.31Å; A280-K282 PolarHBondContact O-N 3.08Å; A280-T283 PolarHBondContact O-N 3.4Å; A280-T283 VanDerWaalsContact O-N 3.15Å; A280-I284 WeakPolarHBondContact O-CG1 3.4Å; A280-I284 PolarHBondContact O-N 3.3Å; A280-V474 HydrophobicContact CB-CG1 3.76Å; A280-M475 HydrophobicContact CB-CE 4.03Å
281	L	98.6	Very high	97.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-59.9	-41.1	176.6	-70.2	175.8	0	0	0	112.2	M277 T283 I284 I285 V308 V312 I397 L399 V431	M277-L281 HydrophobicContact CG-CD1 4.37Å; M277-L281 HydrophobicContact CG-CG 4.46Å; M277-L281 WeakPolarHBondContact O-CG 3.44Å; M277-L281 PolarHBondContact O-N 2.95Å; L281-T283 VanDerWaalsContact C-N 3.33Å; L281-T283 PolarHBondContact O-N 3.38Å; L281-I284 PolarHBondContact O-N 2.86Å; L281-I285 WeakPolarHBondContact O-CB 3.36Å; L281-I285 WeakPolarHBondContact O-CD1 3.46Å; L281-I285 VanDerWaalsContact O-CG1 3.22Å; L281-I285 WeakPolarHBondContact O-CG1 3.48Å; L281-I285 PolarHBondContact O-N 3.43Å; L281-V308 HydrophobicContact CD1-CG1 4.27Å; L281-V308 HydrophobicContact CD1-CG2 3.75Å; L281-V312 HydrophobicContact CB-CG1 4.37Å; L281-V312 HydrophobicContact CB-CG2 4.15Å; L281-V312 HydrophobicContact CD1-CG2 4.08Å; L281-I397 HydrophobicContact CD2-CG2 4Å; L281-L399 HydrophobicContact CD1-CD1 4.47Å; L281-L399 HydrophobicContact CD1-CD2 3.99Å; L281-L399 HydrophobicContact CD2-CD1 4.08Å; L281-L399 HydrophobicContact CD2-CD2 4.17Å; L281-L399 HydrophobicContact CD2-CG 4.36Å; L281-L399 HydrophobicContact CG-CD2 4.46Å; L281-V431 HydrophobicContact CD2-CG2 4.32Å
282	K	97.9	Very high	97.7	Very high	15 Å²	15	15.4 Å²	15.4	7%	0.065	8%	0.081	C	C	.	.	H	α-helix	trans	-60.3	-44.6	175.9	-74.1	-78.7	-165.3	-174.4	0	111.6	I278 P279 A280 I285 D286 N311	I278-K282 VanDerWaalsContact O-CG 3.31Å; I278-K282 WeakPolarHBondContact O-CG 3.47Å; I278-K282 PolarHBondContact O-N 3.19Å; I278-K282 VanDerWaalsContact O-N 3.16Å; P279-K282 WeakPolarHBondContact O-CB 3.41Å; P279-K282 PolarHBondContact O-N 3.14Å; A280-K282 VanDerWaalsContact C-N 3.31Å; A280-K282 PolarHBondContact O-N 3.08Å; K282-I285 PolarHBondContact O-N 3.1Å; K282-D286 WeakPolarHBondContact O-CB 3.13Å; K282-D286 PolarHBondContact O-N 3.45Å; K282-N311 WeakPolarHBondContact CE-O 3.43Å; K282-N311 PolarHBondContact NZ-O 2.81Å
283	T	98.3	Very high	97.8	Very high	15 Å²	15	14.7 Å²	14.7	9%	0.092	8%	0.078	C	C	.	.	H	α-helix	trans	-64.1	-43.1	179.7	-64.4	0	0	0	0	111.6	P279 A280 L281 I285 D286 K287 M475 C478 S479	P279-T283 WeakPolarHBondContact O-CB 3.25Å; P279-T283 PolarHBondContact O-N 3.4Å; P279-T283 PolarHBondContact O-OG1 3.39Å; A280-T283 PolarHBondContact O-N 3.4Å; A280-T283 VanDerWaalsContact O-N 3.15Å; L281-T283 VanDerWaalsContact C-N 3.33Å; L281-T283 PolarHBondContact O-N 3.38Å; T283-I285 VanDerWaalsContact C-N 3.34Å; T283-I285 PolarHBondContact O-N 3.3Å; T283-D286 PolarHBondContact O-N 3.26Å; T283-K287 HydrophobicContact CG2-CG 4.42Å; T283-K287 WeakPolarHBondContact O-CB 3.24Å; T283-K287 WeakPolarHBondContact O-CG 3.46Å; T283-K287 PolarHBondContact O-N 3.43Å; T283-M475 WeakPolarHBondContact CG2-O 3.28Å; T283-M475 HydrophobicContact CG2-SD 4.42Å; T283-M475 PolarHBondContact OG1-SD 3.4Å; T283-C478 HydrophobicContact CG2-CB 4.22Å; T283-S479 VanDerWaalsContact CG2-OG 3.26Å; T283-S479 WeakPolarHBondContact CG2-OG 3.48Å
284	I	98.7	Very high	97.8	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-56.5	-49.9	173.1	-66.6	165.3	0	0	0	110.5	A280 L281 S288 M395 I397 I429 V431 C478	A280-I284 WeakPolarHBondContact O-CG1 3.4Å; A280-I284 PolarHBondContact O-N 3.3Å; L281-I284 PolarHBondContact O-N 2.86Å; I284-S288 WeakPolarHBondContact O-CB 3.46Å; I284-S288 PolarHBondContact O-N 2.96Å; I284-S288 PolarHBondContact O-OG 3.16Å; I284-M395 HydrophobicContact CG2-CE 4.5Å; I284-I397 HydrophobicContact CB-CD1 4.43Å; I284-I397 HydrophobicContact CG2-CD1 3.64Å; I284-I397 HydrophobicContact CG2-CG1 4.32Å; I284-I429 HydrophobicContact CD1-CG2 3.95Å; I284-I429 HydrophobicContact CG2-CD1 3.55Å; I284-I429 HydrophobicContact CG2-CG2 4.44Å; I284-V431 HydrophobicContact CD1-CG2 3.87Å; I284-C478 HydrophobicContact CD1-CB 4.34Å; I284-C478 HydrophobicContact CG1-CB 3.78Å
285	I	98.3	Very high	97.8	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.01	10%	0.098	C	C	.	.	H	α-helix	trans	-64.9	-43.7	-177.9	-70.5	166.8	0	0	0	111.5	L281 K282 T283 S289 V312 I357 L359 I397	L281-I285 WeakPolarHBondContact O-CB 3.36Å; L281-I285 WeakPolarHBondContact O-CD1 3.46Å; L281-I285 VanDerWaalsContact O-CG1 3.22Å; L281-I285 WeakPolarHBondContact O-CG1 3.48Å; L281-I285 PolarHBondContact O-N 3.43Å; K282-I285 PolarHBondContact O-N 3.1Å; T283-I285 VanDerWaalsContact C-N 3.34Å; T283-I285 PolarHBondContact O-N 3.3Å; I285-S289 VanDerWaalsContact O-CB 3.26Å; I285-S289 WeakPolarHBondContact O-CB 3.45Å; I285-S289 PolarHBondContact O-N 3.22Å; I285-V312 HydrophobicContact CD1-CG1 3.58Å; I285-I357 HydrophobicContact CG2-CD1 3.43Å; I285-I357 VanDerWaalsContact CG2-CD1 3.43Å; I285-L359 HydrophobicContact CD1-CD2 4.23Å; I285-L359 HydrophobicContact CG2-CD2 4.36Å; I285-I397 HydrophobicContact CG1-CD1 4.04Å
286	D	97.5	Very high	97.8	Very high	14 Å²	14	18.6 Å²	18.6	8%	0.075	10%	0.095	C	C	.	.	H	α-helix	trans	-65	-50.4	-179.4	-65.7	-22.7	0	0	0	110.5	R248 K282 T283 S288 S289 E290 N350 A352	R248-D286 IonicContact CZ-OD2 2.76Å; R248-D286 VanDerWaalsContact CZ-OD2 3.27Å; R248-D286 IonicContact NH1-OD2 2.71Å; R248-D286 PolarHBondContact NH1-OD2 3.37Å; R248-D286 IonicContact NH2-OD2 3.11Å; R248-D286 PolarHBondContact NH2-OD2 2.96Å; K282-D286 WeakPolarHBondContact O-CB 3.13Å; K282-D286 PolarHBondContact O-N 3.45Å; T283-D286 PolarHBondContact O-N 3.26Å; D286-S288 PolarHBondContact O-N 2.9Å; D286-S289 WeakPolarHBondContact O-CB 3.25Å; D286-S289 PolarHBondContact O-N 3.5Å; D286-S289 VanDerWaalsContact O-N 3.15Å; D286-E290 WeakPolarHBondContact O-CG 3.25Å; D286-E290 PolarHBondContact O-N 3.42Å; D286-N350 PolarHBondContact OD1-ND2 3.01Å; D286-N350 PolarHBondContact OD1-OD1 2.74Å; D286-A352 HydrophobicContact CB-CB 4.14Å
287	K	97.8	Very high	97.8	Very high	57 Å²	57	18.6 Å²	18.6	25%	0.248	10%	0.095	C	C	.	.	H	α-helix	trans	-61.7	-42.7	177.5	-73.2	-73.6	158.8	-154.4	0	112.2	T283 S289 E290 M291 A482	T283-K287 HydrophobicContact CG2-CG 4.42Å; T283-K287 WeakPolarHBondContact O-CB 3.24Å; T283-K287 WeakPolarHBondContact O-CG 3.46Å; T283-K287 PolarHBondContact O-N 3.43Å; K287-S289 VanDerWaalsContact C-N 3.31Å; K287-S289 PolarHBondContact O-N 2.96Å; K287-E290 WeakPolarHBondContact CD-OE2 3.47Å; K287-E290 IonicContact NZ-OE1 2.56Å; K287-E290 IonicContact NZ-OE2 3.54Å; K287-E290 PolarHBondContact NZ-OE2 2.98Å; K287-E290 WeakPolarHBondContact O-CB 3.35Å; K287-E290 PolarHBondContact O-N 2.62Å; K287-M291 VanDerWaalsContact O-CG 3.32Å; K287-M291 WeakPolarHBondContact O-CG 3.27Å; K287-M291 PolarHBondContact O-N 3.43Å; K287-M291 VanDerWaalsContact O-N 3.16Å; K287-A482 HydrophobicContact CB-CB 3.83Å
288	S	98	Very high	97.8	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.021	10%	0.095	C	C	.	.	H	α-helix	trans	-63.2	-38.8	176	-59.1	0	0	0	0	111.9	I284 D286 M291 G292 I293 M395	I284-S288 WeakPolarHBondContact O-CB 3.46Å; I284-S288 PolarHBondContact O-N 2.96Å; I284-S288 PolarHBondContact O-OG 3.16Å; D286-S288 PolarHBondContact O-N 2.9Å; S288-M291 CarbonylContact O-C 3.56Å; S288-M291 PolarHBondContact O-N 3.06Å; S288-G292 PolarHBondContact O-N 2.98Å; S288-I293 WeakPolarHBondContact O-CB 3.44Å; S288-I293 WeakPolarHBondContact O-CG1 3.39Å; S288-I293 PolarHBondContact O-N 2.87Å; S288-M395 VanDerWaalsContact CB-SD 3.55Å; S288-M395 PolarHBondContact OG-SD 2.71Å
289	S	97.4	Very high	97.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-67.6	-36.5	175.9	-174.8	0	0	0	0	112.8	I285 D286 K287 M291 G292 I293 T353 K355	I285-S289 VanDerWaalsContact O-CB 3.26Å; I285-S289 WeakPolarHBondContact O-CB 3.45Å; I285-S289 PolarHBondContact O-N 3.22Å; D286-S289 WeakPolarHBondContact O-CB 3.25Å; D286-S289 PolarHBondContact O-N 3.5Å; D286-S289 VanDerWaalsContact O-N 3.15Å; K287-S289 VanDerWaalsContact C-N 3.31Å; K287-S289 PolarHBondContact O-N 2.96Å; S289-M291 PolarHBondContact O-N 3.04Å; S289-G292 PolarHBondContact O-N 3.19Å; S289-I293 WeakPolarHBondContact CA-O 3.17Å; S289-T353 PolarHBondContact OG-OG1 2.84Å; S289-K355 PolarHBondContact O-NZ 3.46Å
290	E	96.8	Very high	97.8	Very high	92 Å²	92	18.6 Å²	18.6	43%	0.43	10%	0.095	S	C	.	.	H	α-helix	trans	-56.3	-43.5	171.4	-70.7	170.6	-166.1	0	0	109.9	D286 K287 G292 T353 K355	D286-E290 WeakPolarHBondContact O-CG 3.25Å; D286-E290 PolarHBondContact O-N 3.42Å; K287-E290 WeakPolarHBondContact CD-OE2 3.47Å; K287-E290 IonicContact NZ-OE1 2.56Å; K287-E290 IonicContact NZ-OE2 3.54Å; K287-E290 PolarHBondContact NZ-OE2 2.98Å; K287-E290 WeakPolarHBondContact O-CB 3.35Å; K287-E290 PolarHBondContact O-N 2.62Å; E290-G292 VanDerWaalsContact C-N 3.31Å; E290-G292 PolarHBondContact O-N 3.09Å; E290-T353 HydrophobicContact CB-CG2 4.37Å; E290-T353 HydrophobicContact CG-CG2 3.47Å; E290-T353 VanDerWaalsContact CG-CG2 3.47Å; E290-K355 PolarHBondContact O-NZ 2.83Å
291	M	96.5	Very high	97.7	Very high	68 Å²	68	19.3 Å²	19.3	34%	0.335	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-3.7	-179	-59.8	179.1	96.7	0	0	115.3	K287 S288 S289 E483 N486	K287-M291 VanDerWaalsContact O-CG 3.32Å; K287-M291 WeakPolarHBondContact O-CG 3.27Å; K287-M291 PolarHBondContact O-N 3.43Å; K287-M291 VanDerWaalsContact O-N 3.16Å; S288-M291 CarbonylContact O-C 3.56Å; S288-M291 PolarHBondContact O-N 3.06Å; S289-M291 PolarHBondContact O-N 3.04Å; M291-E483 HydrophobicContact CE-CB 4.41Å; M291-E483 HydrophobicContact CE-CG 4.24Å; M291-E483 HydrophobicContact SD-CG 4.16Å; M291-N486 HydrophobicContact CB-CB 4.45Å; M291-N486 HydrophobicContact CE-CB 3.58Å; M291-N486 WeakPolarHBondContact CE-ND2 3.46Å; M291-N486 HydrophobicContact SD-CB 3.59Å; M291-N486 VanDerWaalsContact SD-CB 3.59Å
292	G	95.7	Very high	97.5	Very high	25 Å²	25	21 Å²	21	26%	0.258	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	115.8	0.2	172	0	0	0	0	0	116	S288 S289 E290 E294 K392	S288-G292 PolarHBondContact O-N 2.98Å; S289-G292 PolarHBondContact O-N 3.19Å; E290-G292 VanDerWaalsContact C-N 3.31Å; E290-G292 PolarHBondContact O-N 3.09Å; G292-E294 PolarHBondContact O-N 3.14Å; G292-K392 CarbonylContact C-O 3.41Å; G292-K392 VanDerWaalsContact C-O 3.32Å
293	I	97.8	Very high	97.5	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.015	11%	0.109	C	C	.	.			trans	-69	129.1	175.7	-60.6	-66.1	0	0	0	110.7	S288 S289 Y295 V296 K392 M395 R485	S288-I293 WeakPolarHBondContact O-CB 3.44Å; S288-I293 WeakPolarHBondContact O-CG1 3.39Å; S288-I293 PolarHBondContact O-N 2.87Å; S289-I293 WeakPolarHBondContact CA-O 3.17Å; I293-Y295 WeakPolarHBondContact CG2-O 3.31Å; I293-V296 HydrophobicContact CG2-CG2 3.93Å; I293-K392 VanDerWaalsContact CD1-C 3.5Å; I293-K392 WeakPolarHBondContact CD1-O 3.5Å; I293-M395 HydrophobicContact CB-SD 4.3Å; I293-M395 HydrophobicContact CD1-CB 4.19Å; I293-M395 HydrophobicContact CD1-CG 4.46Å; I293-M395 HydrophobicContact CD1-SD 4.38Å; I293-M395 HydrophobicContact CG1-CG 4.49Å; I293-M395 HydrophobicContact CG1-SD 3.9Å; I293-M395 HydrophobicContact CG2-CG 3.78Å; I293-M395 HydrophobicContact CG2-SD 3.8Å; I293-R485 VanDerWaalsContact CD1-NH1 3.3Å
294	E	96.6	Very high	97.4	Very high	91 Å²	91	20.7 Å²	20.7	43%	0.425	11%	0.105	S	C	.	.			trans	-110.9	-20.8	-179.8	-64.3	172.9	-169.4	0	0	111.5	G292 I357 T358 K393	G292-E294 PolarHBondContact O-N 3.14Å; E294-I357 CarbonylContact O-C 3.55Å; E294-I357 WeakPolarHBondContact O-CA 3.09Å; E294-T358 PolarHBondContact O-N 3.38Å; E294-K393 PolarHBondContact N-O 3.38Å
295	Y	97.2	Very high	97.3	Very high	3 Å²	3	20.7 Å²	20.7	1%	0.012	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	128.2	-174.7	-154	-61.6	0	0	0	111.3	I293 I297 Y345 T358 E382 K393 V394 M395	I293-Y295 WeakPolarHBondContact CG2-O 3.31Å; Y295-I297 HydrophobicContact CD1-CD1 3.52Å; Y295-I297 HydrophobicContact CD1-CG1 4.05Å; Y295-I297 HydrophobicContact CE1-CD1 3.74Å; Y295-I297 HydrophobicContact CE1-CG1 3.77Å; Y295-Y345 HydrophobicContact CE2-CE2 4.15Å; Y295-Y345 AromaticContact CZ-CE2 3.96Å; Y295-Y345 WeakPolarHBondContact OH-CE2 3.26Å; Y295-T358 WeakPolarHBondContact CA-O 3.43Å; Y295-T358 HydrophobicContact CD1-CG2 4.35Å; Y295-T358 HydrophobicContact CD2-CG2 3.66Å; Y295-T358 HydrophobicContact CE1-CG2 4.08Å; Y295-T358 HydrophobicContact CE2-CG2 3.41Å; Y295-T358 VanDerWaalsContact CE2-CG2 3.41Å; Y295-T358 HydrophobicContact CG-CG2 4.18Å; Y295-E382 HydrophobicContact CE1-CG 4.39Å; Y295-E382 HydrophobicContact CE2-CG 4.45Å; Y295-E382 PolarHBondContact OH-OE1 3.11Å; Y295-K393 PolarHBondContact N-O 2.78Å; Y295-V394 WeakPolarHBondContact O-CA 3.27Å; Y295-M395 PolarHBondContact O-N 2.96Å
296	V	98.3	Very high	97.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	115.8	176.3	-173.2	0	0	0	0	109.9	I293 M298 I357 T358 L359 S360 M395 I397	I293-V296 HydrophobicContact CG2-CG2 3.93Å; V296-M298 HydrophobicContact CG1-CE 4.32Å; V296-M298 HydrophobicContact CG1-CG 4.01Å; V296-M298 HydrophobicContact CG1-SD 4.47Å; V296-I357 HydrophobicContact CG2-CD1 4.21Å; V296-T358 PolarHBondContact N-O 3.39Å; V296-L359 HydrophobicContact CB-CD2 3.77Å; V296-L359 HydrophobicContact CG2-CD2 4.05Å; V296-L359 WeakPolarHBondContact O-CA 3.27Å; V296-S360 PolarHBondContact O-N 2.69Å; V296-M395 WeakPolarHBondContact CA-O 3.48Å; V296-M395 HydrophobicContact CB-CG 4.41Å; V296-M395 HydrophobicContact CG1-CG 4.21Å; V296-M395 HydrophobicContact CG2-CG 3.97Å; V296-M395 HydrophobicContact CG2-SD 4.3Å; V296-I397 HydrophobicContact CG1-CD1 3.65Å; V296-I397 HydrophobicContact CG1-CG1 3.8Å
297	I	98.3	Very high	97.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	135.4	170.9	-53.6	77.2	0	0	0	108.1	Y295 S360 M362 V375 K378 T379 V394 M395 S396 I397	Y295-I297 HydrophobicContact CD1-CD1 3.52Å; Y295-I297 HydrophobicContact CD1-CG1 4.05Å; Y295-I297 HydrophobicContact CE1-CD1 3.74Å; Y295-I297 HydrophobicContact CE1-CG1 3.77Å; I297-S360 CarbonylContact C-O 3.25Å; I297-S360 WeakPolarHBondContact CA-O 3.49Å; I297-M362 HydrophobicContact CG2-CG 4.08Å; I297-M362 HydrophobicContact CG2-SD 4.21Å; I297-V375 HydrophobicContact CB-CG1 4.32Å; I297-V375 HydrophobicContact CG2-CB 4.46Å; I297-V375 HydrophobicContact CG2-CG1 3.88Å; I297-K378 HydrophobicContact CG1-CG 4.42Å; I297-K378 HydrophobicContact CG2-CD 4.19Å; I297-T379 WeakPolarHBondContact CB-OG1 3.45Å; I297-T379 HydrophobicContact CD1-CG2 4.13Å; I297-V394 HydrophobicContact CD1-CG1 3.42Å; I297-V394 VanDerWaalsContact CD1-CG1 3.42Å; I297-M395 WeakPolarHBondContact CD1-O 3.38Å; I297-M395 PolarHBondContact N-O 3.37Å; I297-S396 CarbonylContact O-C 3.53Å; I297-S396 VanDerWaalsContact O-CA 3.22Å; I297-S396 WeakPolarHBondContact O-CA 3.19Å; I297-I397 PolarHBondContact O-N 3.03Å
298	M	98.5	Very high	97.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	140.7	-176.8	-68.2	178.1	-93.3	0	0	112	V296 I313 L359 S360 L361 M362 I397	V296-M298 HydrophobicContact CG1-CE 4.32Å; V296-M298 HydrophobicContact CG1-CG 4.01Å; V296-M298 HydrophobicContact CG1-SD 4.47Å; M298-I313 HydrophobicContact CE-CD1 3.19Å; M298-I313 HydrophobicContact SD-CD1 4.19Å; M298-L359 HydrophobicContact CE-CB 3.82Å; M298-L359 HydrophobicContact CE-CD1 4.45Å; M298-L359 HydrophobicContact CE-CD2 3.97Å; M298-L359 HydrophobicContact CE-CG 4.29Å; M298-S360 PolarHBondContact N-O 2.74Å; M298-L361 HydrophobicContact CB-CD1 3.85Å; M298-M362 WeakPolarHBondContact O-CG 3.47Å; M298-M362 PolarHBondContact O-N 3.33Å; M298-I397 VanDerWaalsContact CA-O 3.27Å; M298-I397 WeakPolarHBondContact CA-O 3.4Å; M298-I397 HydrophobicContact CG-CB 4.13Å
299	G	98.3	Very high	97	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	140.9	162.9	0	0	0	0	0	109.4	I397 L399	G299-I397 PolarHBondContact N-O 3.32Å; G299-L399 PolarHBondContact O-N 2.92Å
300	M	98.1	Very high	96.9	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.01	9%	0.092	C	C	.	.			trans	-155.7	151.2	175.7	73.4	-179.7	-66	0	0	112.8	M277 R303 R305 V308 L361 N364 L399	M277-M300 HydrophobicContact CE-CE 4.39Å; M300-R303 WeakPolarHBondContact CE-O 3.46Å; M300-R305 HydrophobicContact CE-CB 3.79Å; M300-R305 HydrophobicContact CE-CG 4.19Å; M300-R305 HydrophobicContact CG-CB 4.45Å; M300-R305 HydrophobicContact CG-CG 4Å; M300-R305 VanDerWaalsContact CG-NH1 3.28Å; M300-R305 PolarHBondContact O-NH1 3.03Å; M300-R305 HydrophobicContact SD-CB 4.03Å; M300-R305 HydrophobicContact SD-CG 3.72Å; M300-V308 HydrophobicContact CE-CB 4.11Å; M300-V308 HydrophobicContact CE-CG2 3.63Å; M300-V308 HydrophobicContact SD-CB 3.69Å; M300-V308 HydrophobicContact SD-CG1 3.74Å; M300-V308 HydrophobicContact SD-CG2 3.79Å; M300-L361 HydrophobicContact CB-CD1 4.49Å; M300-L361 HydrophobicContact CG-CD1 3.76Å; M300-L361 HydrophobicContact CG-CD2 4.49Å; M300-L361 HydrophobicContact SD-CD1 4.16Å; M300-L361 HydrophobicContact SD-CD2 4.24Å; M300-N364 PolarHBondContact O-OD1 2.83Å; M300-N364 VanDerWaalsContact O-OD1 3.09Å; M300-L399 HydrophobicContact CB-CB 3.62Å; M300-L399 HydrophobicContact CB-CD1 3.88Å; M300-L399 HydrophobicContact CB-CG 4.21Å; M300-L399 HydrophobicContact CE-CD2 4.4Å
301	P	96.9	Very high	96.8	Very high	15 Å²	15	13.5 Å²	13.5	10%	0.097	7%	0.072	C	C	.	.			trans	-73.6	-167.7	171.6	33.9	-39.7	0	0	0	111.5	L368 L399	P301-L368 HydrophobicContact CB-CD2 3.85Å; P301-L399 WeakPolarHBondContact CD-O 3.44Å
302	H	95.3	Very high	96.8	Very high	37 Å²	37	10.2 Å²	10.2	17%	0.171	6%	0.056	C	C	.	.	S	Bend	trans	-68.3	-31.2	-179	51.6	-100.1	0	0	0	114.2	F269 G304 R305 Y340 H504	F269-H302 HydrophobicContact CB-CB 4.01Å; F269-H302 HydrophobicContact CD1-CB 4.48Å; F269-H302 AromaticContact CD1-CD2 3.33Å; F269-H302 WeakPolarHBondContact CD1-CD2 3.34Å; F269-H302 AromaticContact CD1-CG 3.94Å; F269-H302 AromaticContact CD1-NE2 3.82Å; F269-H302 HydrophobicContact CD2-CB 3.95Å; F269-H302 HydrophobicContact CG-CB 3.9Å; F269-H302 AromaticContact CG-CD2 3.51Å; F269-H302 AromaticContact CG-CG 3.86Å; H302-G304 PolarHBondContact O-N 3.44Å; H302-G304 VanDerWaalsContact O-N 3.11Å; H302-R305 WeakPolarHBondContact O-CB 3.41Å; H302-R305 PolarHBondContact O-N 3.29Å; H302-R305 VanDerWaalsContact O-N 3.1Å; H302-Y340 HydrophobicContact CB-CD2 4.3Å; H302-H504 AromaticContact NE2-CE1 3.71Å
303	R	96.9	Very high	96.7	Very high	21 Å²	21	9 Å²	9	8%	0.079	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	113.2	-169.9	-173.1	68.7	-177.1	-87	-5.9	111.6	G270 E272 M300 R305 V433 N435 Y499	G270-R303 VanDerWaalsContact O-CD 3.24Å; G270-R303 WeakPolarHBondContact O-CD 3.32Å; G270-R303 PolarHBondContact O-NE 3.47Å; E272-R303 PolarHBondContact O-NH2 2.99Å; M300-R303 WeakPolarHBondContact CE-O 3.46Å; R303-R305 PolarHBondContact O-N 3.25Å; R303-V433 HydrophobicContact CG-CG1 4.16Å; R303-N435 PolarHBondContact NH1-ND2 3.35Å; R303-N435 PolarHBondContact NH1-OD1 2.87Å; R303-Y499 PolarHBondContact NH2-O 2.9Å
304	G	96.4	Very high	96.4	Very high	2 Å²	2	12.9 Å²	12.9	2%	0.021	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	13.3	179.7	0	0	0	0	0	115.2	F269 H302 L306 N307 V308	F269-G304 PolarHBondContact O-N 2.97Å; H302-G304 PolarHBondContact O-N 3.44Å; H302-G304 VanDerWaalsContact O-N 3.11Å; G304-L306 PolarHBondContact O-N 3.37Å; G304-N307 WeakPolarHBondContact O-CA 3.49Å; G304-N307 VanDerWaalsContact O-CB 3.27Å; G304-N307 WeakPolarHBondContact O-CB 3.36Å; G304-N307 PolarHBondContact O-N 3.44Å; G304-V308 PolarHBondContact O-N 3.46Å
305	R	96.6	Very high	96.1	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-60.5	-42	-174.9	-173	-177.1	-179.3	98.2	-6.6	113.6	M300 H302 R303 N307 V308 L309 Y340 L342 L361 M362 N364	M300-R305 HydrophobicContact CE-CB 3.79Å; M300-R305 HydrophobicContact CE-CG 4.19Å; M300-R305 HydrophobicContact CG-CB 4.45Å; M300-R305 HydrophobicContact CG-CG 4Å; M300-R305 VanDerWaalsContact CG-NH1 3.28Å; M300-R305 PolarHBondContact O-NH1 3.03Å; M300-R305 HydrophobicContact SD-CB 4.03Å; M300-R305 HydrophobicContact SD-CG 3.72Å; H302-R305 WeakPolarHBondContact O-CB 3.41Å; H302-R305 PolarHBondContact O-N 3.29Å; H302-R305 VanDerWaalsContact O-N 3.1Å; R303-R305 PolarHBondContact O-N 3.25Å; R305-N307 PolarHBondContact O-N 3.1Å; R305-V308 PolarHBondContact O-N 2.68Å; R305-V308 VanDerWaalsContact O-N 3.16Å; R305-L309 HydrophobicContact CG-CD1 4.37Å; R305-L309 PolarHBondContact O-N 2.97Å; R305-Y340 VanDerWaalsContact CD-C 3.49Å; R305-Y340 WeakPolarHBondContact CD-O 3.38Å; R305-Y340 PolarHBondContact NE-O 3.16Å; R305-L342 PolarHBondContact NE-O 2.97Å; R305-L342 PolarHBondContact NH2-O 2.86Å; R305-L361 HydrophobicContact CG-CD2 4.29Å; R305-M362 PolarHBondContact NH2-O 3.35Å; R305-N364 VanDerWaalsContact CZ-OD1 3.3Å; R305-N364 PolarHBondContact NH1-OD1 2.96Å; R305-N364 PolarHBondContact NH2-OD1 3.47Å
306	L	95.4	Very high	95.8	Very high	8 Å²	8	13.9 Å²	13.9	4%	0.042	6%	0.063	C	C	.	.	H	α-helix	trans	-61.3	-34.8	177.3	-60.2	-177.2	0	0	0	111.4	F255 L259 R268 G304 L309 A310 I320 F324 K339	F255-L306 HydrophobicContact CE1-CB 4.01Å; F255-L306 HydrophobicContact CZ-CB 4.33Å; L259-L306 HydrophobicContact CD1-CD1 4.13Å; R268-L306 HydrophobicContact CB-CD1 4.39Å; G304-L306 PolarHBondContact O-N 3.37Å; L306-L309 HydrophobicContact CD2-CD1 4.31Å; L306-L309 PolarHBondContact O-N 3.3Å; L306-A310 WeakPolarHBondContact O-CB 3.49Å; L306-A310 PolarHBondContact O-N 3.09Å; L306-I320 HydrophobicContact CD2-CG2 4.34Å; L306-F324 HydrophobicContact CD1-CE2 4.06Å; L306-F324 HydrophobicContact CD1-CZ 3.61Å; L306-K339 HydrophobicContact CD2-CB 4.5Å
307	N	96.9	Very high	95.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-69.7	-41.2	176.5	-153.7	-34.5	0	0	0	111.4	S252 F255 E256 L271 I278 G304 R305 A310 N311	S252-N307 PolarHBondContact O-ND2 3.35Å; S252-N307 PolarHBondContact OG-ND2 2.89Å; F255-N307 HydrophobicContact CD1-CB 3.93Å; F255-N307 HydrophobicContact CE1-CB 4.2Å; E256-N307 WeakPolarHBondContact OE1-CB 3.17Å; E256-N307 PolarHBondContact OE1-ND2 3.35Å; L271-N307 HydrophobicContact CD2-CB 4.45Å; I278-N307 HydrophobicContact CD1-CB 3.95Å; I278-N307 WeakPolarHBondContact CD1-OD1 3.49Å; I278-N307 HydrophobicContact CG1-CB 4.42Å; I278-N307 WeakPolarHBondContact CG1-OD1 3.49Å; G304-N307 WeakPolarHBondContact O-CA 3.49Å; G304-N307 VanDerWaalsContact O-CB 3.27Å; G304-N307 WeakPolarHBondContact O-CB 3.36Å; G304-N307 PolarHBondContact O-N 3.44Å; R305-N307 PolarHBondContact O-N 3.1Å; N307-A310 PolarHBondContact O-N 3.09Å; N307-N311 WeakPolarHBondContact O-CB 3.33Å; N307-N311 PolarHBondContact O-N 3.14Å; N307-N311 PolarHBondContact OD1-ND2 2.87Å
308	V	97.4	Very high	95.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.076	C	C	.	.	I	π-helix	trans	-61.1	-46.2	172.2	174.8	0	0	0	0	111	M277 I278 L281 M300 G304 R305 A310 V312 I313	M277-V308 HydrophobicContact CE-CG2 3.61Å; I278-V308 HydrophobicContact CD1-CG2 3.86Å; L281-V308 HydrophobicContact CD1-CG1 4.27Å; L281-V308 HydrophobicContact CD1-CG2 3.75Å; M300-V308 HydrophobicContact CE-CB 4.11Å; M300-V308 HydrophobicContact CE-CG2 3.63Å; M300-V308 HydrophobicContact SD-CB 3.69Å; M300-V308 HydrophobicContact SD-CG1 3.74Å; M300-V308 HydrophobicContact SD-CG2 3.79Å; G304-V308 PolarHBondContact O-N 3.46Å; R305-V308 PolarHBondContact O-N 2.68Å; R305-V308 VanDerWaalsContact O-N 3.16Å; V308-A310 PolarHBondContact O-N 3.05Å; V308-V312 HydrophobicContact CG1-CB 3.95Å; V308-V312 HydrophobicContact CG1-CG2 4.24Å; V308-V312 CarbonylContact O-C 3.49Å; V308-V312 VanDerWaalsContact O-CA 3.32Å; V308-V312 WeakPolarHBondContact O-CA 3.39Å; V308-V312 VanDerWaalsContact O-CB 3.25Å; V308-V312 WeakPolarHBondContact O-CB 3.45Å; V308-V312 PolarHBondContact O-N 3.29Å; V308-I313 HydrophobicContact CG1-CG1 4.29Å; V308-I313 PolarHBondContact O-N 3.04Å
309	L	95.1	Very high	94.6	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	9%	0.085	C	C	.	.	I	π-helix	trans	-56.7	-49.8	175.6	-76.9	167.2	0	0	0	111.7	R305 L306 I313 R314 K315 I320 M344 L361 W575	R305-L309 HydrophobicContact CG-CD1 4.37Å; R305-L309 PolarHBondContact O-N 2.97Å; L306-L309 HydrophobicContact CD2-CD1 4.31Å; L306-L309 PolarHBondContact O-N 3.3Å; L309-I313 HydrophobicContact CD2-CG1 4.46Å; L309-R314 PolarHBondContact O-N 3.36Å; L309-K315 HydrophobicContact CB-CB 4.37Å; L309-K315 PolarHBondContact O-N 2.82Å; L309-I320 HydrophobicContact CB-CD1 4.13Å; L309-M344 HydrophobicContact CD2-CB 3.91Å; L309-L361 HydrophobicContact CD2-CD2 3.8Å; L309-L361 HydrophobicContact CG-CD2 4.08Å; L309-W575 HydrophobicContact CD1-CZ3 4.19Å; L309-W575 HydrophobicContact CD2-CZ3 4.48Å
310	A	95	Very high	94.1	Very high	4 Å²	4	18.6 Å²	18.6	3%	0.033	9%	0.086	C	C	.	.	I	π-helix	trans	-68.9	-48.5	-178.3	0	0	0	0	0	113.2	F255 L306 N307 V308 R314 L317 I320	F255-A310 HydrophobicContact CD2-CB 4.19Å; F255-A310 HydrophobicContact CE1-CB 4.38Å; F255-A310 HydrophobicContact CE2-CB 3.74Å; F255-A310 HydrophobicContact CZ-CB 3.84Å; L306-A310 WeakPolarHBondContact O-CB 3.49Å; L306-A310 PolarHBondContact O-N 3.09Å; N307-A310 PolarHBondContact O-N 3.09Å; V308-A310 PolarHBondContact O-N 3.05Å; A310-R314 WeakPolarHBondContact O-CD 3.21Å; A310-L317 HydrophobicContact CB-CD2 3.66Å; A310-I320 HydrophobicContact CB-CD1 3.81Å
311	N	96	Very high	93.8	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.016	9%	0.086	C	C	.	.	I	π-helix	trans	-103.3	-27	-164.5	-70.9	-51.2	0	0	0	113.8	R251 I278 K282 N307 Y553	R251-N311 PolarHBondContact O-ND2 3.06Å; I278-N311 HydrophobicContact CG2-CB 3.81Å; K282-N311 WeakPolarHBondContact CE-O 3.43Å; K282-N311 PolarHBondContact NZ-O 2.81Å; N307-N311 WeakPolarHBondContact O-CB 3.33Å; N307-N311 PolarHBondContact O-N 3.14Å; N307-N311 PolarHBondContact OD1-ND2 2.87Å; N311-Y553 PolarHBondContact ND2-OH 3.27Å; N311-Y553 VanDerWaalsContact ND2-OH 3.12Å; N311-Y553 PolarHBondContact OD1-OH 3.21Å
312	V	95.8	Very high	93.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.084	C	C	.	.	I	π-helix	trans	-96.1	-61.3	176.3	-175.9	0	0	0	0	110.7	I278 L281 I285 V308 R348	I278-V312 HydrophobicContact CD1-CG2 4.03Å; I278-V312 HydrophobicContact CG2-CG2 4.25Å; L281-V312 HydrophobicContact CB-CG1 4.37Å; L281-V312 HydrophobicContact CB-CG2 4.15Å; L281-V312 HydrophobicContact CD1-CG2 4.08Å; I285-V312 HydrophobicContact CD1-CG1 3.58Å; V308-V312 HydrophobicContact CG1-CB 3.95Å; V308-V312 HydrophobicContact CG1-CG2 4.24Å; V308-V312 CarbonylContact O-C 3.49Å; V308-V312 VanDerWaalsContact O-CA 3.32Å; V308-V312 WeakPolarHBondContact O-CA 3.39Å; V308-V312 VanDerWaalsContact O-CB 3.25Å; V308-V312 WeakPolarHBondContact O-CB 3.45Å; V308-V312 PolarHBondContact O-N 3.29Å; V312-R348 PolarHBondContact O-NH2 3.25Å
313	I	93.7	Very high	92.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.082	C	C	.	.	I	π-helix	trans	-69.6	-36.2	-177.3	-51.2	-62.5	0	0	0	111.6	M298 V308 L309 M344 H346 L359 L361	M298-I313 HydrophobicContact CE-CD1 3.19Å; M298-I313 HydrophobicContact SD-CD1 4.19Å; V308-I313 HydrophobicContact CG1-CG1 4.29Å; V308-I313 PolarHBondContact O-N 3.04Å; L309-I313 HydrophobicContact CD2-CG1 4.46Å; I313-M344 HydrophobicContact CG2-CB 4.12Å; I313-M344 HydrophobicContact CG2-CG 3.51Å; I313-H346 HydrophobicContact CG2-CB 3.98Å; I313-H346 PolarHBondContact O-CD2 2.92Å; I313-L359 HydrophobicContact CD1-CB 3.94Å; I313-L359 HydrophobicContact CD1-CD1 4.3Å; I313-L361 HydrophobicContact CD1-CB 4.23Å; I313-L361 HydrophobicContact CG1-CB 4.45Å
314	R	92	Very high	92.3	Very high	83 Å²	83	17.3 Å²	17.3	31%	0.313	8%	0.08	S	C	.	.			trans	74.5	40.8	-173.7	-55.5	-61.9	-160.5	-171.5	-1.4	114.3	L309 A310	L309-R314 PolarHBondContact O-N 3.36Å; A310-R314 WeakPolarHBondContact O-CD 3.21Å
315	K	90.4	Very high	91.6	Very high	8 Å²	8	20.3 Å²	20.3	4%	0.035	10%	0.096	C	C	.	.			trans	-60.9	140.3	162.2	-177	62.5	157.7	178.9	0	109.3	L309 L317 I320 M344 H574 W575	L309-K315 HydrophobicContact CB-CB 4.37Å; L309-K315 PolarHBondContact O-N 2.82Å; K315-L317 PolarHBondContact O-N 3.04Å; K315-I320 HydrophobicContact CB-CD1 4.13Å; K315-I320 HydrophobicContact CB-CG1 4.34Å; K315-I320 HydrophobicContact CG-CD1 4.23Å; K315-I320 HydrophobicContact CG-CG1 3.88Å; K315-M344 HydrophobicContact CD-CE 3.79Å; K315-M344 HydrophobicContact CD-SD 3.76Å; K315-H574 PolarHBondContact NZ-O 3.22Å; K315-W575 HydrophobicContact CD-CH2 4.2Å; K315-W575 HydrophobicContact CD-CZ3 4.15Å; K315-W575 VanDerWaalsContact CE-CZ2 3.42Å; K315-W575 VanDerWaalsContact CE-CZ3 3.47Å; K315-W575 HydrophobicContact CG-CH2 3.81Å; K315-W575 HydrophobicContact CG-CZ3 3.87Å
316	E	90.3	Very high	90.6	Very high	108 Å²	108	26.6 Å²	26.6	51%	0.505	14%	0.137	S	C	.	.			trans	-59.7	131.2	179	-65.6	-180	164.9	0	0	110.7	E318 Q319 I320	E316-E318 VanDerWaalsContact C-N 3.33Å; E316-E318 HydrophobicContact CB-CG 4.31Å; E316-E318 PolarHBondContact O-N 3.03Å; E316-Q319 HydrophobicContact CB-CB 4.42Å; E316-Q319 HydrophobicContact CB-CG 4.11Å; E316-Q319 PolarHBondContact O-N 3.26Å; E316-Q319 VanDerWaalsContact O-N 3.13Å; E316-Q319 PolarHBondContact OE2-NE2 2.92Å; E316-I320 PolarHBondContact O-N 3.47Å
317	L	92.4	Very high	89.6	Confident	20 Å²	20	34.1 Å²	34.1	11%	0.105	17%	0.169	C	C	.	.	H	α-helix	trans	-62.7	-40.2	-175	-73	-178.7	0	0	0	111.8	F255 A310 K315 Q319 I320 F321 I556 A560	F255-L317 HydrophobicContact CD2-CD2 4.24Å; F255-L317 HydrophobicContact CE2-CD2 3.7Å; A310-L317 HydrophobicContact CB-CD2 3.66Å; K315-L317 PolarHBondContact O-N 3.04Å; L317-Q319 PolarHBondContact O-N 2.72Å; L317-I320 HydrophobicContact CD2-CD1 4.47Å; L317-I320 PolarHBondContact O-N 2.87Å; L317-I320 VanDerWaalsContact O-N 3.09Å; L317-F321 HydrophobicContact CB-CD2 4.34Å; L317-F321 HydrophobicContact CB-CE2 3.95Å; L317-F321 HydrophobicContact CB-CZ 4.24Å; L317-F321 HydrophobicContact CD2-CZ 4.21Å; L317-F321 WeakPolarHBondContact O-CB 3.45Å; L317-F321 WeakPolarHBondContact O-CD2 3.21Å; L317-F321 WeakPolarHBondContact O-CG 3.28Å; L317-F321 PolarHBondContact O-N 2.78Å; L317-I556 HydrophobicContact CD1-CG2 3.78Å; L317-A560 HydrophobicContact CB-CB 3.45Å; L317-A560 VanDerWaalsContact CB-CB 3.45Å; L317-A560 HydrophobicContact CD1-CB 4.09Å; L317-A560 HydrophobicContact CG-CB 4.42Å
318	E	90.4	Very high	88.5	Confident	33 Å²	33	36 Å²	36	15%	0.154	18%	0.179	C	C	.	.	H	α-helix	trans	-58.2	-35.1	175.8	49.1	-106.1	-117	0	0	113.4	E316 C322 R563 S564	E316-E318 VanDerWaalsContact C-N 3.33Å; E316-E318 HydrophobicContact CB-CG 4.31Å; E316-E318 PolarHBondContact O-N 3.03Å; E318-C322 PolarHBondContact O-N 2.97Å; E318-R563 HydrophobicContact CB-CB 4.31Å; E318-R563 IonicContact OE1-CZ 3.29Å; E318-R563 IonicContact OE1-NE 2.89Å; E318-R563 PolarHBondContact OE1-NE 3.37Å; E318-R563 IonicContact OE1-NH2 2.62Å; E318-R563 PolarHBondContact OE1-NH2 2.86Å; E318-R563 IonicContact OE2-CZ 3.44Å; E318-R563 IonicContact OE2-NE 2.85Å; E318-R563 IonicContact OE2-NH2 3.2Å; E318-R563 PolarHBondContact OE2-NH2 2.88Å; E318-S564 WeakPolarHBondContact O-CB 3.4Å
319	Q	86.6	Confident	87.2	Confident	44 Å²	44	42.9 Å²	42.9	21%	0.206	21%	0.211	C	C	.	.	H	α-helix	trans	-73.9	-29.9	176.9	-65	-173.6	-17.9	0	0	112.4	E316 L317 C322 Q323 W575	E316-Q319 HydrophobicContact CB-CB 4.42Å; E316-Q319 HydrophobicContact CB-CG 4.11Å; E316-Q319 PolarHBondContact O-N 3.26Å; E316-Q319 VanDerWaalsContact O-N 3.13Å; E316-Q319 PolarHBondContact OE2-NE2 2.92Å; L317-Q319 PolarHBondContact O-N 2.72Å; Q319-C322 PolarHBondContact O-SG 2.89Å; Q319-Q323 WeakPolarHBondContact O-CG 3.31Å; Q319-W575 HydrophobicContact CB-CZ2 4.39Å
320	I	89.3	Confident	85.7	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-72.1	-46.1	171.9	-62.2	172.6	0	0	0	109.8	L306 L309 A310 K315 E316 L317 Q323 W575	L306-I320 HydrophobicContact CD2-CG2 4.34Å; L309-I320 HydrophobicContact CB-CD1 4.13Å; A310-I320 HydrophobicContact CB-CD1 3.81Å; K315-I320 HydrophobicContact CB-CD1 4.13Å; K315-I320 HydrophobicContact CB-CG1 4.34Å; K315-I320 HydrophobicContact CG-CD1 4.23Å; K315-I320 HydrophobicContact CG-CG1 3.88Å; E316-I320 PolarHBondContact O-N 3.47Å; L317-I320 HydrophobicContact CD2-CD1 4.47Å; L317-I320 PolarHBondContact O-N 2.87Å; L317-I320 VanDerWaalsContact O-N 3.09Å; I320-Q323 VanDerWaalsContact O-CB 3.32Å; I320-Q323 WeakPolarHBondContact O-CB 3.43Å; I320-Q323 PolarHBondContact O-N 3.43Å; I320-W575 HydrophobicContact CG1-CH2 4.19Å
321	F	91.3	Very high	84	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.009	26%	0.26	C	S	.	.	H	α-helix	trans	-69.4	-33.5	-174.4	-65.8	-19.4	0	0	0	113.3	F255 F258 L259 W263 L317 Q323 F324 A560	F255-F321 AromaticContact CE2-CE1 3.8Å; F255-F321 HydrophobicContact CE2-CE1 3.8Å; F255-F321 HydrophobicContact CE2-CZ 4.13Å; F255-F321 HydrophobicContact CZ-CE1 4.35Å; F258-F321 HydrophobicContact CD1-CE1 4.27Å; F258-F321 HydrophobicContact CD1-CE2 4.42Å; F258-F321 AromaticContact CD1-CZ 3.84Å; F258-F321 HydrophobicContact CD1-CZ 3.84Å; F258-F321 HydrophobicContact CE1-CD2 4.48Å; F258-F321 HydrophobicContact CE1-CE1 4.25Å; F258-F321 AromaticContact CE1-CE2 3.79Å; F258-F321 HydrophobicContact CE1-CE2 3.79Å; F258-F321 AromaticContact CE1-CZ 3.67Å; F258-F321 HydrophobicContact CE1-CZ 3.67Å; F258-F321 HydrophobicContact CZ-CE2 4.44Å; L259-F321 HydrophobicContact CD2-CD1 4.13Å; L259-F321 HydrophobicContact CD2-CE1 3.73Å; W263-F321 HydrophobicContact CH2-CB 3.75Å; W263-F321 AromaticContact CH2-CD1 3.71Å; W263-F321 HydrophobicContact CH2-CD1 3.71Å; W263-F321 HydrophobicContact CH2-CD2 4.48Å; W263-F321 HydrophobicContact CH2-CE1 4.44Å; W263-F321 AromaticContact CH2-CG 3.73Å; W263-F321 HydrophobicContact CH2-CG 3.73Å; W263-F321 HydrophobicContact CZ2-CB 4.31Å; W263-F321 AromaticContact CZ3-CD1 3.88Å; W263-F321 HydrophobicContact CZ3-CD1 3.88Å; W263-F321 HydrophobicContact CZ3-CE1 4.26Å; W263-F321 HydrophobicContact CZ3-CG 4.34Å; L317-F321 HydrophobicContact CB-CD2 4.34Å; L317-F321 HydrophobicContact CB-CE2 3.95Å; L317-F321 HydrophobicContact CB-CZ 4.24Å; L317-F321 HydrophobicContact CD2-CZ 4.21Å; L317-F321 WeakPolarHBondContact O-CB 3.45Å; L317-F321 WeakPolarHBondContact O-CD2 3.21Å; L317-F321 WeakPolarHBondContact O-CG 3.28Å; L317-F321 PolarHBondContact O-N 2.78Å; F321-Q323 PolarHBondContact O-N 3.29Å; F321-F324 PolarHBondContact O-N 2.95Å; F321-F324 VanDerWaalsContact O-N 3.08Å; F321-A560 HydrophobicContact CD2-CB 4.19Å; F321-A560 HydrophobicContact CE2-CB 3.94Å
322	C	86.8	Confident	82.5	Confident	8 Å²	8	50.1 Å²	50.1	5%	0.054	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-62.8	-24.7	176	70.5	0	0	0	0	112.7	E318 Q319 F324 D325 L328 N567	E318-C322 PolarHBondContact O-N 2.97Å; Q319-C322 PolarHBondContact O-SG 2.89Å; C322-F324 PolarHBondContact O-N 3.46Å; C322-D325 WeakPolarHBondContact O-CB 3.37Å; C322-D325 PolarHBondContact O-N 3.44Å; C322-L328 HydrophobicContact CB-CD1 4.46Å; C322-N567 HydrophobicContact CB-CB 4.32Å
323	Q	84.7	Confident	80.8	Confident	27 Å²	27	56.9 Å²	56.9	13%	0.126	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-65.9	-7	174.8	-56.6	-60.1	-64	0	0	114.3	Q319 I320 F321 K339 W575	Q319-Q323 WeakPolarHBondContact O-CG 3.31Å; I320-Q323 VanDerWaalsContact O-CB 3.32Å; I320-Q323 WeakPolarHBondContact O-CB 3.43Å; I320-Q323 PolarHBondContact O-N 3.43Å; F321-Q323 PolarHBondContact O-N 3.29Å; Q323-K339 HydrophobicContact CB-CB 3.96Å; Q323-K339 HydrophobicContact CB-CD 4.15Å; Q323-K339 HydrophobicContact CG-CB 4.37Å; Q323-K339 PolarHBondContact O-NZ 2.69Å; Q323-W575 HydrophobicContact CG-CZ2 4.29Å
324	F	86.3	Confident	79.2	Confident	10 Å²	10	59 Å²	59	4%	0.044	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-99.9	-2.8	174	-67.1	-100.5	0	0	0	112.6	L259 W263 E266 L306 F321 C322 P326 K339	L259-F324 HydrophobicContact CD1-CZ 4.47Å; L259-F324 HydrophobicContact CD2-CE2 4.33Å; L259-F324 HydrophobicContact CD2-CZ 4.23Å; W263-F324 HydrophobicContact CB-CD1 3.99Å; W263-F324 HydrophobicContact CB-CE1 4.37Å; W263-F324 HydrophobicContact CD2-CB 3.86Å; W263-F324 AromaticContact CD2-CD1 3.82Å; W263-F324 HydrophobicContact CD2-CD1 3.82Å; W263-F324 HydrophobicContact CD2-CD2 4.48Å; W263-F324 HydrophobicContact CD2-CE1 4.44Å; W263-F324 AromaticContact CD2-CG 3.83Å; W263-F324 HydrophobicContact CD2-CG 3.83Å; W263-F324 AromaticContact CE2-CG 3.83Å; W263-F324 HydrophobicContact CE3-CD1 4.25Å; W263-F324 HydrophobicContact CE3-CE1 4.48Å; W263-F324 HydrophobicContact CE3-CG 4.25Å; W263-F324 HydrophobicContact CG-CB 4.03Å; W263-F324 AromaticContact CG-CD1 3.7Å; W263-F324 HydrophobicContact CG-CD1 3.7Å; W263-F324 HydrophobicContact CG-CE1 4.42Å; W263-F324 HydrophobicContact CG-CG 4.09Å; W263-F324 HydrophobicContact CZ2-CB 3.8Å; W263-F324 HydrophobicContact CZ2-CD2 4.47Å; W263-F324 HydrophobicContact CZ2-CG 4.23Å; E266-F324 HydrophobicContact CB-CD1 4.03Å; E266-F324 HydrophobicContact CB-CE1 4.13Å; E266-F324 HydrophobicContact CG-CD1 4.04Å; L306-F324 HydrophobicContact CD1-CE2 4.06Å; L306-F324 HydrophobicContact CD1-CZ 3.61Å; F321-F324 PolarHBondContact O-N 2.95Å; F321-F324 VanDerWaalsContact O-N 3.08Å; C322-F324 PolarHBondContact O-N 3.46Å; F324-P326 WeakPolarHBondContact O-CD 3.46Å; F324-K339 HydrophobicContact CD1-CD 4.34Å; F324-K339 HydrophobicContact CD2-CD 4.17Å; F324-K339 HydrophobicContact CE1-CD 4.09Å; F324-K339 VanDerWaalsContact CE1-CE 3.46Å; F324-K339 HydrophobicContact CE2-CD 3.89Å; F324-K339 HydrophobicContact CG-CD 4.39Å; F324-K339 HydrophobicContact CZ-CD 3.86Å
325	D	81.7	Confident	78.2	Confident	66 Å²	66	59.6 Å²	59.6	35%	0.353	34%	0.337	S	S	.	.			trans	-81.8	119.1	174.4	-165.1	-30.2	0	0	0	109.8	C322 K327 L328	C322-D325 WeakPolarHBondContact O-CB 3.37Å; C322-D325 PolarHBondContact O-N 3.44Å; D325-K327 PolarHBondContact O-N 3.25Å; D325-K327 VanDerWaalsContact O-N 3.15Å; D325-K327 WeakPolarHBondContact OD1-CB 3.43Å; D325-K327 PolarHBondContact OD1-N 3.44Å; D325-L328 WeakPolarHBondContact O-CB 3.47Å; D325-L328 PolarHBondContact O-N 2.87Å
326	P	75	Confident	77.5	Confident	132 Å²	132	60 Å²	60	86%	0.857	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-10.7	177.6	29.2	-36.7	0	0	0	113.7	F324	F324-P326 WeakPolarHBondContact O-CD 3.46Å
327	K	75.1	Confident	77	Confident	166 Å²	166	56.9 Å²	56.9	72%	0.722	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	6.9	177.9	-57.6	179.3	-178.4	178	0	113.3	D325 E329	D325-K327 PolarHBondContact O-N 3.25Å; D325-K327 VanDerWaalsContact O-N 3.15Å; D325-K327 WeakPolarHBondContact OD1-CB 3.43Å; D325-K327 PolarHBondContact OD1-N 3.44Å; K327-E329 PolarHBondContact O-N 2.87Å
328	L	73.1	Confident	76.4	Confident	40 Å²	40	58.6 Å²	58.6	21%	0.209	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-64.3	118.9	179.6	-172.8	66.9	0	0	0	110.1	C322 D325 L570	C322-L328 HydrophobicContact CB-CD1 4.46Å; D325-L328 WeakPolarHBondContact O-CB 3.47Å; D325-L328 PolarHBondContact O-N 2.87Å; L328-L570 HydrophobicContact CD1-CB 4.08Å; L328-L570 HydrophobicContact CD2-CB 3.88Å; L328-L570 HydrophobicContact CD2-CD2 3.98Å; L328-L570 HydrophobicContact CD2-CG 4.41Å; L328-L570 HydrophobicContact CG-CB 3.92Å
329	E	69.7	Low	76	Confident	143 Å²	143	58.4 Å²	58.4	67%	0.668	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	136.9	176.5	-67.7	175.7	-174.5	0	0	109.6	K327 K568 L570	K327-E329 PolarHBondContact O-N 2.87Å; E329-K568 PolarHBondContact N-O 3.33Å; E329-L570 PolarHBondContact O-N 3.45Å
330	A	64.5	Low	75.9	Confident	75 Å²	75	58 Å²	58	62%	0.62	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	128.5	172.9	0	0	0	0	0	109.5
331	A	59.4	Low	75.8	Confident	54 Å²	54	58.5 Å²	58.5	45%	0.446	34%	0.339	S	S	.	.			trans	-101.6	-13.6	174.1	0	0	0	0	0	114.5	I569 L570	A331-I569 HydrophobicContact CB-CG2 3.15Å; A331-L570 PolarHBondContact N-O 3.08Å; A331-L570 VanDerWaalsContact N-O 3.09Å
332	D	64	Low	75.5	Confident	31 Å²	31	58.7 Å²	58.7	17%	0.166	34%	0.34	C	S	.	.	S	Bend	trans	-106.8	156.4	179.6	-58.7	-18.4	0	0	0	110.6	H571 I572 K573	D332-H571 IonicContact OD1-CE1 2.9Å; D332-H571 IonicContact OD1-CG 3.64Å; D332-H571 IonicContact OD1-ND1 3.68Å; D332-H571 PolarHBondContact OD1-ND1 3.02Å; D332-H571 WeakPolarHBondContact OD2-CA 3.37Å; D332-H571 WeakPolarHBondContact OD2-CB 3.15Å; D332-H571 IonicContact OD2-ND1 3.15Å; D332-I572 PolarHBondContact OD2-N 3.39Å; D332-K573 WeakPolarHBondContact OD2-CG 3.22Å; D332-K573 PolarHBondContact OD2-N 3.29Å; D332-K573 VanDerWaalsContact OD2-N 3.08Å
333	E	59.3	Low	75.5	Confident	143 Å²	143	58.3 Å²	58.3	67%	0.668	34%	0.338	S	S	*	.	S	Bend	trans	-61.6	146.6	173.4	-67.8	-176.4	165.7	0	0	112.6
334	G	61.3	Low	75.7	Confident	45 Å²	45	57.8 Å²	57.8	46%	0.464	34%	0.336	S	S	.	.	S	Bend	trans	123.1	168.6	176.1	0	0	0	0	0	113.6	A758	G334-A758 CarbonylContact C-O 3.58Å; G334-A758 WeakPolarHBondContact CA-O 3.24Å
335	S	70.5	Confident	75.9	Confident	94 Å²	94	60.3 Å²	60.3	66%	0.657	35%	0.346	S	S	*	.			trans	-75.9	-17.7	174	61.5	0	0	0	0	112.6	A758	S335-A758 PolarHBondContact N-O 3.08Å; S335-A758 PolarHBondContact OG-O 2.56Å
336	G	76.5	Confident	76.4	Confident	17 Å²	17	59.9 Å²	59.9	18%	0.175	34%	0.341	C	S	.	.			trans	63.8	-171.5	-162	0	0	0	0	0	112.1	A758 K759	G336-A758 PolarHBondContact N-O 3.17Å; G336-K759 CarbonylContact C-O 3.56Å; G336-K759 VanDerWaalsContact C-O 3.3Å; G336-K759 WeakPolarHBondContact CA-O 3.48Å
337	D	79.1	Confident	77.1	Confident	43 Å²	43	57.7 Å²	57.7	23%	0.23	32%	0.32	C	S	.	.			trans	-149.5	168.1	173	-155.6	-13	0	0	0	109.4	H341 L342 K759 W760	D337-H341 HydrophobicContact CB-CB 4.21Å; D337-H341 IonicContact OD1-CE1 3.68Å; D337-H341 IonicContact OD1-CG 2.75Å; D337-H341 IonicContact OD1-ND1 3.4Å; D337-H341 PolarHBondContact OD1-ND1 3.13Å; D337-H341 VanDerWaalsContact OD2-CB 3.22Å; D337-H341 WeakPolarHBondContact OD2-CB 3.46Å; D337-H341 IonicContact OD2-CG 3.72Å; D337-H341 IonicContact OD2-ND1 3.53Å; D337-H341 PolarHBondContact OD2-ND1 3.23Å; D337-L342 HydrophobicContact CB-CD2 4.38Å; D337-K759 HydrophobicContact CB-CB 4.35Å; D337-W760 PolarHBondContact OD2-NE1 2.95Å
338	V	80	Confident	78	Confident	56 Å²	56	52.1 Å²	52.1	34%	0.339	29%	0.294	S	S	.	.			trans	-63.6	145.1	176.8	-67.4	0	0	0	0	111.2	Y340 H341	V338-Y340 HydrophobicContact CB-CD2 4.28Å; V338-Y340 HydrophobicContact CB-CE1 4.22Å; V338-Y340 HydrophobicContact CB-CE2 3.76Å; V338-Y340 HydrophobicContact CG1-CE2 4.5Å; V338-Y340 HydrophobicContact CG2-CD2 3.61Å; V338-Y340 HydrophobicContact CG2-CE2 3.2Å; V338-Y340 HydrophobicContact CG2-CG 4.43Å; V338-Y340 PolarHBondContact O-N 2.72Å; V338-H341 HydrophobicContact CG2-CB 4.34Å; V338-H341 WeakPolarHBondContact CG2-CE1 3.17Å; V338-H341 WeakPolarHBondContact CG2-ND1 3.31Å; V338-H341 WeakPolarHBondContact O-CB 3.5Å; V338-H341 PolarHBondContact O-N 3.13Å
339	K	82.9	Confident	78.9	Confident	28 Å²	28	54.3 Å²	54.3	12%	0.122	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-27.2	-176.1	42.5	-178.2	173.7	-97	0	116	E266 L306 Q323 F324	E266-K339 IonicContact OE2-NZ 2.76Å; E266-K339 PolarHBondContact OE2-NZ 3.22Å; L306-K339 HydrophobicContact CD2-CB 4.5Å; Q323-K339 HydrophobicContact CB-CB 3.96Å; Q323-K339 HydrophobicContact CB-CD 4.15Å; Q323-K339 HydrophobicContact CG-CB 4.37Å; Q323-K339 PolarHBondContact O-NZ 2.69Å; F324-K339 HydrophobicContact CD1-CD 4.34Å; F324-K339 HydrophobicContact CD2-CD 4.17Å; F324-K339 HydrophobicContact CE1-CD 4.09Å; F324-K339 VanDerWaalsContact CE1-CE 3.46Å; F324-K339 HydrophobicContact CE2-CD 3.89Å; F324-K339 HydrophobicContact CG-CD 4.39Å; F324-K339 HydrophobicContact CZ-CD 3.86Å
340	Y	82.5	Confident	80	Confident	37 Å²	37	47.9 Å²	47.9	15%	0.145	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	13.4	177.7	38.5	-96.2	0	0	0	114.4	F269 H302 R305 V338	F269-Y340 HydrophobicContact CD2-CD1 4.03Å; F269-Y340 HydrophobicContact CD2-CD2 4.24Å; F269-Y340 HydrophobicContact CD2-CE1 4.04Å; F269-Y340 HydrophobicContact CD2-CE2 4.2Å; F269-Y340 HydrophobicContact CD2-CG 4.16Å; F269-Y340 HydrophobicContact CE2-CD1 4.31Å; F269-Y340 HydrophobicContact CE2-CD2 4.15Å; F269-Y340 AromaticContact CE2-CE1 3.9Å; F269-Y340 HydrophobicContact CE2-CE1 3.9Å; F269-Y340 AromaticContact CE2-CE2 3.67Å; F269-Y340 HydrophobicContact CE2-CE2 3.67Å; F269-Y340 HydrophobicContact CE2-CG 4.44Å; F269-Y340 AromaticContact CE2-CZ 3.57Å; H302-Y340 HydrophobicContact CB-CD2 4.3Å; R305-Y340 VanDerWaalsContact CD-C 3.49Å; R305-Y340 WeakPolarHBondContact CD-O 3.38Å; R305-Y340 PolarHBondContact NE-O 3.16Å; V338-Y340 HydrophobicContact CB-CD2 4.28Å; V338-Y340 HydrophobicContact CB-CE1 4.22Å; V338-Y340 HydrophobicContact CB-CE2 3.76Å; V338-Y340 HydrophobicContact CG1-CE2 4.5Å; V338-Y340 HydrophobicContact CG2-CD2 3.61Å; V338-Y340 HydrophobicContact CG2-CE2 3.2Å; V338-Y340 HydrophobicContact CG2-CG 4.43Å; V338-Y340 PolarHBondContact O-N 2.72Å
341	H	88.9	Confident	81.2	Confident	11 Å²	11	55.7 Å²	55.7	5%	0.051	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-13.7	170	-66.7	167	0	0	0	113.3	D337 V338 A363 N364 S366	D337-H341 HydrophobicContact CB-CB 4.21Å; D337-H341 IonicContact OD1-CE1 3.68Å; D337-H341 IonicContact OD1-CG 2.75Å; D337-H341 IonicContact OD1-ND1 3.4Å; D337-H341 PolarHBondContact OD1-ND1 3.13Å; D337-H341 VanDerWaalsContact OD2-CB 3.22Å; D337-H341 WeakPolarHBondContact OD2-CB 3.46Å; D337-H341 IonicContact OD2-CG 3.72Å; D337-H341 IonicContact OD2-ND1 3.53Å; D337-H341 PolarHBondContact OD2-ND1 3.23Å; V338-H341 HydrophobicContact CG2-CB 4.34Å; V338-H341 WeakPolarHBondContact CG2-CE1 3.17Å; V338-H341 WeakPolarHBondContact CG2-ND1 3.31Å; V338-H341 WeakPolarHBondContact O-CB 3.5Å; V338-H341 PolarHBondContact O-N 3.13Å; H341-A363 WeakPolarHBondContact O-CA 3.46Å; H341-A363 WeakPolarHBondContact O-CB 3.37Å; H341-N364 WeakPolarHBondContact CB-O 3.05Å; H341-N364 PolarHBondContact CD2-O 3.46Å; H341-N364 VanDerWaalsContact CD2-O 3.31Å; H341-N364 PolarHBondContact O-N 3.29Å; H341-S366 PolarHBondContact CE1-OG 3.13Å; H341-S366 PolarHBondContact NE2-OG 2.79Å
342	L	84.9	Confident	82.5	Confident	6 Å²	6	56 Å²	56	3%	0.031	29%	0.292	C	S	.	.			trans	-66.9	139.6	-174.3	-58.9	179.6	0	0	0	112	R305 D337 W575	R305-L342 PolarHBondContact NE-O 2.97Å; R305-L342 PolarHBondContact NH2-O 2.86Å; D337-L342 HydrophobicContact CB-CD2 4.38Å; L342-W575 HydrophobicContact CB-CB 4.2Å; L342-W575 HydrophobicContact CB-CD2 4.01Å; L342-W575 HydrophobicContact CB-CE3 3.74Å; L342-W575 HydrophobicContact CB-CG 4.23Å; L342-W575 HydrophobicContact CB-CZ3 4.41Å; L342-W575 HydrophobicContact CD1-CD2 3.74Å; L342-W575 HydrophobicContact CD1-CE3 4.08Å; L342-W575 HydrophobicContact CD1-CG 3.99Å; L342-W575 HydrophobicContact CD1-CZ2 4.34Å; L342-W575 HydrophobicContact CG-CD2 4.49Å
343	G	86.6	Confident	83.8	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.01	29%	0.292	C	S	.	.			trans	-83	173.1	176.7	0	0	0	0	0	112.8	L361 W575	G343-L361 CarbonylContact C-O 3.49Å; G343-L361 WeakPolarHBondContact CA-O 3.37Å; G343-W575 CarbonylContact C-O 3.35Å; G343-W575 VanDerWaalsContact C-O 3.25Å; G343-W575 CarbonylContact O-C 3.58Å; G343-W575 WeakPolarHBondContact O-CA 3.41Å; G343-W575 WeakPolarHBondContact O-CB 3.46Å
344	M	89.4	Confident	85.4	Confident	16 Å²	16	55.4 Å²	55.4	8%	0.079	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	141	172.9	-176.5	60.3	-178.5	0	0	111.2	L309 I313 K315 H346 S360 L361 L576	L309-M344 HydrophobicContact CD2-CB 3.91Å; I313-M344 HydrophobicContact CG2-CB 4.12Å; I313-M344 HydrophobicContact CG2-CG 3.51Å; K315-M344 HydrophobicContact CD-CE 3.79Å; K315-M344 HydrophobicContact CD-SD 3.76Å; M344-H346 HydrophobicContact CE-CB 3.94Å; M344-S360 CarbonylContact O-C 3.55Å; M344-S360 VanDerWaalsContact O-CA 3.29Å; M344-S360 WeakPolarHBondContact O-CA 3.34Å; M344-L361 PolarHBondContact N-O 3.07Å; M344-L361 PolarHBondContact O-N 3.26Å; M344-L576 CarbonylContact C-O 3.55Å
345	Y	89.9	Confident	86.9	Confident	62 Å²	62	57.5 Å²	57.5	24%	0.243	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.9	166.9	178.5	-87.1	0	0	0	108.5	Y295 E347 T358 L576 P579	Y295-Y345 HydrophobicContact CE2-CE2 4.15Å; Y295-Y345 AromaticContact CZ-CE2 3.96Å; Y295-Y345 WeakPolarHBondContact OH-CE2 3.26Å; Y345-E347 HydrophobicContact CE1-CB 4.44Å; Y345-T358 HydrophobicContact CD2-CG2 4.09Å; Y345-T358 HydrophobicContact CE1-CG2 4.32Å; Y345-T358 HydrophobicContact CE2-CG2 3.33Å; Y345-T358 VanDerWaalsContact CZ-CG2 3.46Å; Y345-T358 WeakPolarHBondContact OH-CG2 3.25Å; Y345-L576 WeakPolarHBondContact CB-O 3.48Å; Y345-L576 PolarHBondContact N-O 3.33Å; Y345-P579 HydrophobicContact CD1-CG 4.04Å; Y345-P579 HydrophobicContact CE1-CG 4.37Å; Y345-P579 HydrophobicContact CG-CG 4.14Å
346	H	90.9	Very high	88.1	Confident	57 Å²	57	58.7 Å²	58.7	26%	0.264	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	124.2	178.7	-164.4	55.8	0	0	0	112	I313 M344 L359	I313-H346 HydrophobicContact CG2-CB 3.98Å; I313-H346 PolarHBondContact O-CD2 2.92Å; M344-H346 HydrophobicContact CE-CB 3.94Å; H346-L359 PolarHBondContact N-O 3.1Å; H346-L359 PolarHBondContact O-N 3.39Å
347	E	91.4	Very high	89	Confident	87 Å²	87	57.9 Å²	57.9	41%	0.407	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	128.5	174.3	-174.8	173	-136.4	0	0	109.6	Y345 K356	Y345-E347 HydrophobicContact CE1-CB 4.44Å; E347-K356 HydrophobicContact CG-CD 4.17Å; E347-K356 HydrophobicContact CG-CG 4.11Å; E347-K356 VanDerWaalsContact OE1-CD 3.3Å; E347-K356 WeakPolarHBondContact OE1-CD 3.2Å; E347-K356 WeakPolarHBondContact OE1-CE 3.46Å; E347-K356 IonicContact OE1-NZ 2.88Å; E347-K356 PolarHBondContact OE1-NZ 3.13Å; E347-K356 WeakPolarHBondContact OE2-CE 3.45Å; E347-K356 IonicContact OE2-NZ 3.66Å; E347-K356 PolarHBondContact OE2-NZ 3.01Å
348	R	92.1	Very high	89.8	Confident	48 Å²	48	56 Å²	56	18%	0.181	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	171.8	-176	61.6	174.3	-180	136.8	1.4	112.8	V312 I357	V312-R348 PolarHBondContact O-NH2 3.25Å; R348-I357 HydrophobicContact CG-CG2 4.14Å; R348-I357 PolarHBondContact N-O 3.12Å; R348-I357 PolarHBondContact O-N 3.06Å; R348-I357 VanDerWaalsContact O-O 3.1Å
349	I	93.6	Very high	90.6	Very high	87 Å²	87	53.4 Å²	53.4	45%	0.446	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	126.1	168.4	-57.1	-57.7	0	0	0	109.7	R351 K356	I349-R351 PolarHBondContact O-N 3.45Å; I349-K356 HydrophobicContact CD1-CB 4.38Å
350	N	92.4	Very high	91.2	Very high	7 Å²	7	52 Å²	52	4%	0.037	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	116.3	164.8	-172.5	-22.7	0	0	0	108.5	D286 A352 T353 N354 K355 I357	D286-N350 PolarHBondContact OD1-ND2 3.01Å; D286-N350 PolarHBondContact OD1-OD1 2.74Å; N350-A352 VanDerWaalsContact C-N 3.29Å; N350-A352 PolarHBondContact O-N 3.08Å; N350-A352 WeakPolarHBondContact OD1-CB 3.4Å; N350-A352 PolarHBondContact OD1-N 3.29Å; N350-T353 PolarHBondContact O-N 3.5Å; N350-N354 WeakPolarHBondContact O-CA 3.33Å; N350-N354 PolarHBondContact O-N 2.94Å; N350-K355 PolarHBondContact N-O 3.2Å; N350-I357 HydrophobicContact CB-CG2 3.93Å
351	R	88.7	Confident	91.8	Very high	239 Å²	239	50.3 Å²	50.3	90%	0.902	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-23.2	-177.6	-65.2	-172.7	-178	-176.9	-1.3	113.9	I349	I349-R351 PolarHBondContact O-N 3.45Å
352	A	87.7	Confident	92.1	Very high	61 Å²	61	49.8 Å²	49.8	50%	0.504	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-37.2	177.4	0	0	0	0	0	111.5	D286 N350	D286-A352 HydrophobicContact CB-CB 4.14Å; N350-A352 VanDerWaalsContact C-N 3.29Å; N350-A352 PolarHBondContact O-N 3.08Å; N350-A352 WeakPolarHBondContact OD1-CB 3.4Å; N350-A352 PolarHBondContact OD1-N 3.29Å
353	T	91.6	Very high	92.6	Very high	28 Å²	28	49.8 Å²	49.8	17%	0.172	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-11.5	-174.8	64.8	0	0	0	0	113.9	S289 E290 N350 K355	S289-T353 PolarHBondContact OG-OG1 2.84Å; E290-T353 HydrophobicContact CB-CG2 4.37Å; E290-T353 HydrophobicContact CG-CG2 3.47Å; E290-T353 VanDerWaalsContact CG-CG2 3.47Å; N350-T353 PolarHBondContact O-N 3.5Å; T353-K355 PolarHBondContact O-N 3.06Å; T353-K355 VanDerWaalsContact O-N 3.16Å; T353-K355 PolarHBondContact OG1-N 3.47Å
354	N	92.9	Very high	93.1	Very high	134 Å²	134	50.1 Å²	50.1	72%	0.717	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	23.2	-168.8	-156.5	41.2	0	0	0	114.1	N350	N350-N354 WeakPolarHBondContact O-CA 3.33Å; N350-N354 PolarHBondContact O-N 2.94Å
355	K	93.3	Very high	93.4	Very high	88 Å²	88	49.6 Å²	49.6	38%	0.383	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	154.4	176.4	-61.7	-179.1	-171.1	172.1	0	111.1	S289 E290 N350 T353	S289-K355 PolarHBondContact O-NZ 3.46Å; E290-K355 PolarHBondContact O-NZ 2.83Å; N350-K355 PolarHBondContact N-O 3.2Å; T353-K355 PolarHBondContact O-N 3.06Å; T353-K355 VanDerWaalsContact O-N 3.16Å; T353-K355 PolarHBondContact OG1-N 3.47Å
356	K	94.5	Very high	93.7	Very high	119 Å²	119	50.2 Å²	50.2	52%	0.517	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	136.6	170.7	-155.7	-175.7	-155.8	-157.7	0	109.1	E347 I349	E347-K356 HydrophobicContact CG-CD 4.17Å; E347-K356 HydrophobicContact CG-CG 4.11Å; E347-K356 VanDerWaalsContact OE1-CD 3.3Å; E347-K356 WeakPolarHBondContact OE1-CD 3.2Å; E347-K356 WeakPolarHBondContact OE1-CE 3.46Å; E347-K356 IonicContact OE1-NZ 2.88Å; E347-K356 PolarHBondContact OE1-NZ 3.13Å; E347-K356 WeakPolarHBondContact OE2-CE 3.45Å; E347-K356 IonicContact OE2-NZ 3.66Å; E347-K356 PolarHBondContact OE2-NZ 3.01Å; I349-K356 HydrophobicContact CD1-CB 4.38Å
357	I	95.7	Very high	94.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	137.2	174.5	-166.2	165.5	0	0	0	110.7	I285 E294 V296 R348 N350 L359	I285-I357 HydrophobicContact CG2-CD1 3.43Å; I285-I357 VanDerWaalsContact CG2-CD1 3.43Å; E294-I357 CarbonylContact O-C 3.55Å; E294-I357 WeakPolarHBondContact O-CA 3.09Å; V296-I357 HydrophobicContact CG2-CD1 4.21Å; R348-I357 HydrophobicContact CG-CG2 4.14Å; R348-I357 PolarHBondContact N-O 3.12Å; R348-I357 PolarHBondContact O-N 3.06Å; R348-I357 VanDerWaalsContact O-O 3.1Å; N350-I357 HydrophobicContact CB-CG2 3.93Å; I357-L359 HydrophobicContact CD1-CD2 4.04Å; I357-L359 HydrophobicContact CG1-CD2 4.05Å
358	T	95.9	Very high	94.4	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.031	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	128.1	173.3	-62.1	0	0	0	0	109.6	E294 Y295 V296 Y345	E294-T358 PolarHBondContact O-N 3.38Å; Y295-T358 WeakPolarHBondContact CA-O 3.43Å; Y295-T358 HydrophobicContact CD1-CG2 4.35Å; Y295-T358 HydrophobicContact CD2-CG2 3.66Å; Y295-T358 HydrophobicContact CE1-CG2 4.08Å; Y295-T358 HydrophobicContact CE2-CG2 3.41Å; Y295-T358 VanDerWaalsContact CE2-CG2 3.41Å; Y295-T358 HydrophobicContact CG-CG2 4.18Å; V296-T358 PolarHBondContact N-O 3.39Å; Y345-T358 HydrophobicContact CD2-CG2 4.09Å; Y345-T358 HydrophobicContact CE1-CG2 4.32Å; Y345-T358 HydrophobicContact CE2-CG2 3.33Å; Y345-T358 VanDerWaalsContact CZ-CG2 3.46Å; Y345-T358 WeakPolarHBondContact OH-CG2 3.25Å
359	L	96.3	Very high	94.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.3	176.3	-55.9	179.9	0	0	0	108.4	I285 V296 M298 I313 H346 I357	I285-L359 HydrophobicContact CD1-CD2 4.23Å; I285-L359 HydrophobicContact CG2-CD2 4.36Å; V296-L359 HydrophobicContact CB-CD2 3.77Å; V296-L359 HydrophobicContact CG2-CD2 4.05Å; V296-L359 WeakPolarHBondContact O-CA 3.27Å; M298-L359 HydrophobicContact CE-CB 3.82Å; M298-L359 HydrophobicContact CE-CD1 4.45Å; M298-L359 HydrophobicContact CE-CD2 3.97Å; M298-L359 HydrophobicContact CE-CG 4.29Å; I313-L359 HydrophobicContact CD1-CB 3.94Å; I313-L359 HydrophobicContact CD1-CD1 4.3Å; H346-L359 PolarHBondContact N-O 3.1Å; H346-L359 PolarHBondContact O-N 3.39Å; I357-L359 HydrophobicContact CD1-CD2 4.04Å; I357-L359 HydrophobicContact CG1-CD2 4.05Å
360	S	95.2	Very high	95	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	115.6	174.6	-174.8	0	0	0	0	109.4	V296 I297 M298 M344 K378 D577	V296-S360 PolarHBondContact O-N 2.69Å; I297-S360 CarbonylContact C-O 3.25Å; I297-S360 WeakPolarHBondContact CA-O 3.49Å; M298-S360 PolarHBondContact N-O 2.74Å; M344-S360 CarbonylContact O-C 3.55Å; M344-S360 VanDerWaalsContact O-CA 3.29Å; M344-S360 WeakPolarHBondContact O-CA 3.34Å; S360-K378 PolarHBondContact OG-NZ 2.9Å; S360-D577 PolarHBondContact OG-O 3.37Å
361	L	96.6	Very high	95.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	120.1	171.4	177	64.1	0	0	0	108.7	M298 M300 R305 L309 I313 G343 M344 D577	M298-L361 HydrophobicContact CB-CD1 3.85Å; M300-L361 HydrophobicContact CB-CD1 4.49Å; M300-L361 HydrophobicContact CG-CD1 3.76Å; M300-L361 HydrophobicContact CG-CD2 4.49Å; M300-L361 HydrophobicContact SD-CD1 4.16Å; M300-L361 HydrophobicContact SD-CD2 4.24Å; R305-L361 HydrophobicContact CG-CD2 4.29Å; L309-L361 HydrophobicContact CD2-CD2 3.8Å; L309-L361 HydrophobicContact CG-CD2 4.08Å; I313-L361 HydrophobicContact CD1-CB 4.23Å; I313-L361 HydrophobicContact CG1-CB 4.45Å; G343-L361 CarbonylContact C-O 3.49Å; G343-L361 WeakPolarHBondContact CA-O 3.37Å; M344-L361 PolarHBondContact N-O 3.07Å; M344-L361 PolarHBondContact O-N 3.26Å; L361-D577 VanDerWaalsContact O-CB 3.31Å; L361-D577 WeakPolarHBondContact O-CB 3.41Å
362	M	95.5	Very high	95.7	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-70.8	139.4	-177.8	-58.3	-84.4	52.8	0	0	111.7	I297 M298 R305 N364 V371 V375 K378 D577 M725	I297-M362 HydrophobicContact CG2-CG 4.08Å; I297-M362 HydrophobicContact CG2-SD 4.21Å; M298-M362 WeakPolarHBondContact O-CG 3.47Å; M298-M362 PolarHBondContact O-N 3.33Å; R305-M362 PolarHBondContact NH2-O 3.35Å; M362-N364 PolarHBondContact O-OD1 2.92Å; M362-V371 HydrophobicContact CB-CG2 3.78Å; M362-V375 HydrophobicContact CB-CG2 4.23Å; M362-V375 HydrophobicContact CG-CG2 3.58Å; M362-K378 HydrophobicContact CE-CD 3.67Å; M362-K378 VanDerWaalsContact CE-NZ 3.31Å; M362-K378 HydrophobicContact SD-CB 4.23Å; M362-K378 HydrophobicContact SD-CD 3.36Å; M362-K378 WeakPolarHBondContact SD-CD 3.48Å; M362-K378 HydrophobicContact SD-CG 4.43Å; M362-D577 HydrophobicContact CE-CB 3.44Å; M362-D577 VanDerWaalsContact CE-CB 3.44Å; M362-D577 WeakPolarHBondContact CE-OD1 3.37Å; M362-D577 VanDerWaalsContact CE-OD2 3.23Å; M362-D577 WeakPolarHBondContact CE-OD2 3.21Å; M362-M725 HydrophobicContact CE-CE 3.76Å; M362-M725 HydrophobicContact SD-CE 4.32Å
363	A	94.1	Very high	96.3	Very high	5 Å²	5	30.2 Å²	30.2	4%	0.041	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-64.2	144.2	162.8	0	0	0	0	0	110	H341 D577 W760	H341-A363 WeakPolarHBondContact O-CA 3.46Å; H341-A363 WeakPolarHBondContact O-CB 3.37Å; A363-D577 PolarHBondContact N-OD2 3.45Å; A363-W760 HydrophobicContact CB-CB 4.15Å; A363-W760 HydrophobicContact CB-CD2 3.53Å; A363-W760 HydrophobicContact CB-CE3 3.91Å; A363-W760 HydrophobicContact CB-CG 3.64Å
364	N	96.6	Very high	96.6	Very high	9 Å²	9	29 Å²	29	5%	0.048	15%	0.149	C	C	.	.			trans	-149.9	148.6	-177.3	61.8	-88.5	0	0	0	112	M300 R305 H341 M362 V371	M300-N364 PolarHBondContact O-OD1 2.83Å; M300-N364 VanDerWaalsContact O-OD1 3.09Å; R305-N364 VanDerWaalsContact CZ-OD1 3.3Å; R305-N364 PolarHBondContact NH1-OD1 2.96Å; R305-N364 PolarHBondContact NH2-OD1 3.47Å; H341-N364 WeakPolarHBondContact CB-O 3.05Å; H341-N364 PolarHBondContact CD2-O 3.46Å; H341-N364 VanDerWaalsContact CD2-O 3.31Å; H341-N364 PolarHBondContact O-N 3.29Å; M362-N364 PolarHBondContact O-OD1 2.92Å; N364-V371 HydrophobicContact CB-CB 3.63Å; N364-V371 HydrophobicContact CB-CG1 4.02Å; N364-V371 HydrophobicContact CB-CG2 3.75Å
365	P	96.6	Very high	96.9	Very high	4 Å²	4	22.6 Å²	22.6	3%	0.026	12%	0.115	C	C	.	.			trans	-74.5	176.2	172	36.3	-37.5	0	0	0	110.8	H367 Q751 F752	P365-H367 HydrophobicContact CG-CB 4.13Å; P365-H367 PolarHBondContact O-N 2.88Å; P365-Q751 HydrophobicContact CB-CB 3.82Å; P365-Q751 HydrophobicContact CB-CG 4.27Å; P365-Q751 HydrophobicContact CG-CB 3.76Å; P365-Q751 HydrophobicContact CG-CG 4.4Å; P365-F752 HydrophobicContact CG-CD2 4.46Å; P365-F752 HydrophobicContact CG-CE2 3.68Å; P365-F752 HydrophobicContact CG-CZ 3.87Å
366	S	96.7	Very high	97.1	Very high	76 Å²	76	18.8 Å²	18.8	53%	0.531	10%	0.098	S	C	.	.	S	Bend	trans	-71.1	-9	171	-51.5	0	0	0	0	114.3	H341 L368	H341-S366 PolarHBondContact CE1-OG 3.13Å; H341-S366 PolarHBondContact NE2-OG 2.79Å; S366-L368 PolarHBondContact O-N 3.2Å
367	H	98.2	Very high	97.3	Very high	91 Å²	91	13.1 Å²	13.1	42%	0.421	7%	0.074	S	C	.	.	S	Bend	trans	-71.1	96.8	175.5	-61.5	71.3	0	0	0	107.7	P365 A370 C747 Q751	P365-H367 HydrophobicContact CG-CB 4.13Å; P365-H367 PolarHBondContact O-N 2.88Å; H367-A370 HydrophobicContact CB-CB 4.14Å; H367-A370 VanDerWaalsContact O-CB 3.24Å; H367-A370 WeakPolarHBondContact O-CB 3.49Å; H367-A370 PolarHBondContact O-N 3.02Å; H367-C747 VanDerWaalsContact CB-SG 3.53Å; H367-Q751 PolarHBondContact CE1-NE2 2.95Å
368	L	98.3	Very high	97.4	Very high	58 Å²	58	13.1 Å²	13.1	30%	0.304	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	144.6	-171.9	-59.8	176.5	0	0	0	110.8	P301 S366 A370 A404	P301-L368 HydrophobicContact CB-CD2 3.85Å; S366-L368 PolarHBondContact O-N 3.2Å; L368-A370 PolarHBondContact O-N 2.7Å; L368-A404 HydrophobicContact CB-CB 3.78Å; L368-A404 HydrophobicContact CD1-CB 3.61Å; L368-A404 HydrophobicContact CG-CB 4.31Å
369	E	98.8	Very high	97.6	Very high	7 Å²	7	12.9 Å²	12.9	3%	0.033	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	-9.2	179.6	-37.5	-49.2	150.9	0	0	115.7	V371 D372 H400 A404 Q408 V410 V411	E369-V371 PolarHBondContact O-N 3.28Å; E369-V371 VanDerWaalsContact O-N 3.07Å; E369-D372 VanDerWaalsContact O-CB 3.28Å; E369-D372 WeakPolarHBondContact O-CB 3.45Å; E369-D372 VanDerWaalsContact O-CG 3.24Å; E369-D372 PolarHBondContact O-N 3.27Å; E369-H400 IonicContact OE2-CE1 2.69Å; E369-H400 IonicContact OE2-CG 2.71Å; E369-H400 IonicContact OE2-ND1 2.74Å; E369-H400 PolarHBondContact OE2-ND1 3.2Å; E369-A404 HydrophobicContact CG-CB 3.99Å; E369-A404 WeakPolarHBondContact OE1-CB 3.41Å; E369-Q408 HydrophobicContact CB-CB 4.09Å; E369-Q408 HydrophobicContact CB-CG 4.4Å; E369-Q408 HydrophobicContact CG-CB 3.92Å; E369-Q408 HydrophobicContact CG-CG 3.96Å; E369-V410 HydrophobicContact CB-CG1 3.75Å; E369-V410 WeakPolarHBondContact O-CG1 3.38Å; E369-V411 HydrophobicContact CB-CG2 3.58Å; E369-V411 HydrophobicContact CG-CG2 3.53Å
370	A	98.7	Very high	97.6	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-19.5	178.2	0	0	0	0	0	113.9	H367 L368 Y714 I748 F752	H367-A370 HydrophobicContact CB-CB 4.14Å; H367-A370 VanDerWaalsContact O-CB 3.24Å; H367-A370 WeakPolarHBondContact O-CB 3.49Å; H367-A370 PolarHBondContact O-N 3.02Å; L368-A370 PolarHBondContact O-N 2.7Å; A370-Y714 HydrophobicContact CB-CE2 4.3Å; A370-Y714 VanDerWaalsContact CB-OH 3.28Å; A370-Y714 WeakPolarHBondContact CB-OH 3.36Å; A370-I748 WeakPolarHBondContact O-CD1 3.45Å; A370-F752 HydrophobicContact CB-CE2 4.08Å
371	V	98.6	Very high	97.7	Very high	6 Å²	6	14.1 Å²	14.1	4%	0.036	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-19.2	177.2	70.7	0	0	0	0	112.8	M362 N364 E369 V374 V375 F752	M362-V371 HydrophobicContact CB-CG2 3.78Å; N364-V371 HydrophobicContact CB-CB 3.63Å; N364-V371 HydrophobicContact CB-CG1 4.02Å; N364-V371 HydrophobicContact CB-CG2 3.75Å; E369-V371 PolarHBondContact O-N 3.28Å; E369-V371 VanDerWaalsContact O-N 3.07Å; V371-V374 HydrophobicContact CG2-CB 4.5Å; V371-V374 WeakPolarHBondContact O-CA 3.48Å; V371-V374 WeakPolarHBondContact O-CB 3.42Å; V371-V374 PolarHBondContact O-N 3Å; V371-V375 HydrophobicContact CG2-CG2 4.15Å; V371-V375 PolarHBondContact O-N 3.09Å; V371-F752 HydrophobicContact CB-CZ 4.24Å
372	D	98.9	Very high	97.8	Very high	3 Å²	3	15.3 Å²	15.3	2%	0.016	8%	0.083	C	C	.	.	H	α-helix	trans	-54.5	-53.3	-174.3	-65.2	1.6	0	0	0	112.6	E369 V374 V375 Q376 L398 H400 T414	E369-D372 VanDerWaalsContact O-CB 3.28Å; E369-D372 WeakPolarHBondContact O-CB 3.45Å; E369-D372 VanDerWaalsContact O-CG 3.24Å; E369-D372 PolarHBondContact O-N 3.27Å; D372-V374 VanDerWaalsContact C-N 3.27Å; D372-V374 PolarHBondContact O-N 3.26Å; D372-V375 WeakPolarHBondContact O-CB 3.35Å; D372-V375 PolarHBondContact O-N 3.09Å; D372-Q376 WeakPolarHBondContact O-CG 3.4Å; D372-Q376 PolarHBondContact O-N 3.45Å; D372-Q376 VanDerWaalsContact O-N 3.17Å; D372-L398 HydrophobicContact CB-CD1 3.9Å; D372-L398 HydrophobicContact CB-CD2 4.41Å; D372-H400 IonicContact OD1-CE1 3.2Å; D372-H400 IonicContact OD2-CE1 3.17Å; D372-H400 PolarHBondContact OD2-CE1 3.39Å; D372-H400 IonicContact OD2-ND1 3.14Å; D372-H400 PolarHBondContact OD2-ND1 3.21Å; D372-T414 HydrophobicContact CB-CG2 4.15Å
373	P	98.8	Very high	97.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-66	-30.3	177.5	25.7	-34.5	0	0	0	112.5	Q376 G377 V410 T414 G715 F719	P373-Q376 PolarHBondContact O-N 3.35Å; P373-G377 PolarHBondContact O-N 3.43Å; P373-V410 HydrophobicContact CG-CG2 3.9Å; P373-T414 WeakPolarHBondContact CD-OG1 3.13Å; P373-G715 WeakPolarHBondContact CB-O 3.4Å; P373-F719 VanDerWaalsContact O-CA 3.29Å; P373-F719 WeakPolarHBondContact O-CA 3.04Å
374	V	98.7	Very high	98	Very high	2 Å²	2	18 Å²	18	1%	0.012	9%	0.094	C	C	.	.	H	α-helix	trans	-64.2	-42.2	177.3	-171.6	0	0	0	0	111.2	V371 D372 G377 K378 G718 L721 G722 M725 I748 F752	V371-V374 HydrophobicContact CG2-CB 4.5Å; V371-V374 WeakPolarHBondContact O-CA 3.48Å; V371-V374 WeakPolarHBondContact O-CB 3.42Å; V371-V374 PolarHBondContact O-N 3Å; D372-V374 VanDerWaalsContact C-N 3.27Å; D372-V374 PolarHBondContact O-N 3.26Å; V374-G377 PolarHBondContact O-N 3.04Å; V374-K378 PolarHBondContact O-N 3.49Å; V374-G718 VanDerWaalsContact CA-O 3.28Å; V374-G718 WeakPolarHBondContact CA-O 3.22Å; V374-L721 HydrophobicContact CG1-CD2 4.25Å; V374-L721 HydrophobicContact CG2-CD2 3.96Å; V374-G722 VanDerWaalsContact O-CA 3.32Å; V374-G722 WeakPolarHBondContact O-CA 3.49Å; V374-M725 HydrophobicContact CG1-SD 3.79Å; V374-I748 HydrophobicContact CG2-CD1 4.39Å; V374-F752 HydrophobicContact CG2-CD1 4.41Å; V374-F752 HydrophobicContact CG2-CE1 4.1Å; V374-F752 HydrophobicContact CG2-CZ 4.17Å
375	V	98.7	Very high	97.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.9	-45.6	173.1	168.4	0	0	0	0	110.8	I297 M362 V371 D372 K378 T379 L398	I297-V375 HydrophobicContact CB-CG1 4.32Å; I297-V375 HydrophobicContact CG2-CB 4.46Å; I297-V375 HydrophobicContact CG2-CG1 3.88Å; M362-V375 HydrophobicContact CB-CG2 4.23Å; M362-V375 HydrophobicContact CG-CG2 3.58Å; V371-V375 HydrophobicContact CG2-CG2 4.15Å; V371-V375 PolarHBondContact O-N 3.09Å; D372-V375 WeakPolarHBondContact O-CB 3.35Å; D372-V375 PolarHBondContact O-N 3.09Å; V375-K378 PolarHBondContact O-N 3.36Å; V375-T379 WeakPolarHBondContact O-CB 3.12Å; V375-T379 PolarHBondContact O-N 3.5Å; V375-T379 PolarHBondContact O-OG1 2.91Å; V375-L398 HydrophobicContact CB-CD2 3.75Å; V375-L398 HydrophobicContact CG1-CD2 3.74Å; V375-L398 HydrophobicContact CG1-CG 4.37Å; V375-L398 HydrophobicContact CG2-CD2 3.76Å
376	Q	98.8	Very high	97.8	Very high	9 Å²	9	26.3 Å²	26.3	4%	0.042	13%	0.125	C	C	.	.	H	α-helix	trans	-62.2	-45.1	179.4	-64.1	-55.1	-41.5	0	0	111.4	D372 P373 K378 T379 K380 S396 T414 T425 T428 F719	D372-Q376 WeakPolarHBondContact O-CG 3.4Å; D372-Q376 PolarHBondContact O-N 3.45Å; D372-Q376 VanDerWaalsContact O-N 3.17Å; P373-Q376 PolarHBondContact O-N 3.35Å; Q376-K378 PolarHBondContact O-N 2.88Å; Q376-T379 WeakPolarHBondContact O-CB 3.35Å; Q376-T379 PolarHBondContact O-N 3.04Å; Q376-K380 PolarHBondContact O-N 2.85Å; Q376-S396 PolarHBondContact NE2-OG 2.9Å; Q376-T414 HydrophobicContact CG-CG2 3.6Å; Q376-T425 HydrophobicContact CB-CG2 4.22Å; Q376-T425 VanDerWaalsContact O-CG2 3.28Å; Q376-T425 WeakPolarHBondContact O-CG2 3.24Å; Q376-T425 PolarHBondContact OE1-OG1 2.92Å; Q376-T428 PolarHBondContact NE2-OG1 3.45Å; Q376-T428 PolarHBondContact OE1-OG1 2.99Å; Q376-T428 VanDerWaalsContact OE1-OG1 3.13Å; Q376-F719 HydrophobicContact CB-CD2 3.77Å; Q376-F719 HydrophobicContact CB-CE2 3.87Å
377	G	98.4	Very high	97.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-56.4	-49.5	176	0	0	0	0	0	113.3	P373 V374 T379 K380 A381 F719 F723	P373-G377 PolarHBondContact O-N 3.43Å; V374-G377 PolarHBondContact O-N 3.04Å; G377-T379 VanDerWaalsContact C-N 3.34Å; G377-T379 PolarHBondContact O-N 2.81Å; G377-K380 PolarHBondContact O-N 2.91Å; G377-A381 PolarHBondContact O-N 3.41Å; G377-F719 WeakPolarHBondContact CA-O 3.22Å; G377-F723 WeakPolarHBondContact O-CA 3.49Å
378	K	98	Very high	97.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64.6	-39.9	177.5	-175.7	177	178.1	173.2	0	111.9	I297 S360 M362 V374 V375 Q376 K380 A381 E382 D577 S578 G722	I297-K378 HydrophobicContact CG1-CG 4.42Å; I297-K378 HydrophobicContact CG2-CD 4.19Å; S360-K378 PolarHBondContact OG-NZ 2.9Å; M362-K378 HydrophobicContact CE-CD 3.67Å; M362-K378 VanDerWaalsContact CE-NZ 3.31Å; M362-K378 HydrophobicContact SD-CB 4.23Å; M362-K378 HydrophobicContact SD-CD 3.36Å; M362-K378 WeakPolarHBondContact SD-CD 3.48Å; M362-K378 HydrophobicContact SD-CG 4.43Å; V374-K378 PolarHBondContact O-N 3.49Å; V375-K378 PolarHBondContact O-N 3.36Å; Q376-K378 PolarHBondContact O-N 2.88Å; K378-K380 VanDerWaalsContact C-N 3.35Å; K378-K380 PolarHBondContact O-N 3.3Å; K378-A381 PolarHBondContact O-N 3.38Å; K378-E382 WeakPolarHBondContact O-CG 3.44Å; K378-E382 PolarHBondContact O-N 3.25Å; K378-D577 VanDerWaalsContact NZ-C 3.31Å; K378-D577 PolarHBondContact NZ-O 2.86Å; K378-D577 IonicContact NZ-OD1 2.84Å; K378-S578 VanDerWaalsContact CE-OG 3.22Å; K378-S578 WeakPolarHBondContact CE-OG 3.47Å; K378-S578 PolarHBondContact NZ-OG 3.02Å; K378-G722 VanDerWaalsContact CA-O 3.31Å; K378-G722 WeakPolarHBondContact CA-O 3.39Å; K378-G722 VanDerWaalsContact N-C 3.32Å; K378-G722 PolarHBondContact N-O 3.06Å
379	T	98.5	Very high	97.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.7	-46.3	176.2	-58.4	0	0	0	0	110.9	I297 V375 Q376 G377 A381 E382 Q383 V394 T425	I297-T379 WeakPolarHBondContact CB-OG1 3.45Å; I297-T379 HydrophobicContact CD1-CG2 4.13Å; V375-T379 WeakPolarHBondContact O-CB 3.12Å; V375-T379 PolarHBondContact O-N 3.5Å; V375-T379 PolarHBondContact O-OG1 2.91Å; Q376-T379 WeakPolarHBondContact O-CB 3.35Å; Q376-T379 PolarHBondContact O-N 3.04Å; G377-T379 VanDerWaalsContact C-N 3.34Å; G377-T379 PolarHBondContact O-N 2.81Å; T379-A381 VanDerWaalsContact C-N 3.34Å; T379-A381 PolarHBondContact O-N 3.4Å; T379-E382 PolarHBondContact O-N 2.85Å; T379-Q383 WeakPolarHBondContact O-CG 3.38Å; T379-Q383 PolarHBondContact O-N 3Å; T379-V394 HydrophobicContact CG2-CG1 4.18Å; T379-T425 HydrophobicContact CG2-CG2 3.91Å
380	K	98.1	Very high	97	Very high	25 Å²	25	27 Å²	27	11%	0.109	14%	0.144	C	C	.	.	H	α-helix	trans	-61.6	-42.1	176.7	-176.2	64.9	166.8	-170.8	0	112.2	Q376 G377 K378 Q383 F384 T424 T425 F719 F723	Q376-K380 PolarHBondContact O-N 2.85Å; G377-K380 PolarHBondContact O-N 2.91Å; K378-K380 VanDerWaalsContact C-N 3.35Å; K378-K380 PolarHBondContact O-N 3.3Å; K380-Q383 WeakPolarHBondContact O-CB 3.46Å; K380-Q383 PolarHBondContact O-N 2.9Å; K380-F384 WeakPolarHBondContact O-CB 3.35Å; K380-F384 PolarHBondContact O-N 3.16Å; K380-T424 VanDerWaalsContact CD-O 3.26Å; K380-T424 WeakPolarHBondContact CD-O 3.4Å; K380-T424 PolarHBondContact NZ-O 3Å; K380-T425 HydrophobicContact CB-CG2 4.2Å; K380-F719 HydrophobicContact CB-CE1 4.1Å; K380-F719 HydrophobicContact CB-CE2 4.24Å; K380-F719 HydrophobicContact CB-CZ 3.43Å; K380-F719 VanDerWaalsContact CB-CZ 3.43Å; K380-F719 HydrophobicContact CG-CE1 4.21Å; K380-F719 HydrophobicContact CG-CZ 3.72Å; K380-F723 HydrophobicContact CB-CD2 4.25Å; K380-F723 HydrophobicContact CB-CE2 4.42Å; K380-F723 HydrophobicContact CG-CD2 4.15Å; K380-F723 HydrophobicContact CG-CE2 3.94Å
381	A	97.2	Very high	96.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66.4	-43.4	179.2	0	0	0	0	0	112.1	G377 K378 T379 Q383 F384 Y385 F723 A726	G377-A381 PolarHBondContact O-N 3.41Å; K378-A381 PolarHBondContact O-N 3.38Å; T379-A381 VanDerWaalsContact C-N 3.34Å; T379-A381 PolarHBondContact O-N 3.4Å; A381-Q383 VanDerWaalsContact C-N 3.34Å; A381-Q383 PolarHBondContact O-N 2.98Å; A381-F384 WeakPolarHBondContact O-CB 3.29Å; A381-F384 PolarHBondContact O-N 3.36Å; A381-Y385 HydrophobicContact CB-CD2 4.37Å; A381-Y385 HydrophobicContact CB-CE2 4.21Å; A381-Y385 WeakPolarHBondContact O-CD2 3.47Å; A381-Y385 PolarHBondContact O-N 3.49Å; A381-F723 HydrophobicContact CB-CB 4.35Å; A381-F723 HydrophobicContact CB-CD1 3.94Å; A381-F723 HydrophobicContact CB-CD2 3.68Å; A381-F723 HydrophobicContact CB-CE1 4.06Å; A381-F723 HydrophobicContact CB-CE2 3.81Å; A381-F723 HydrophobicContact CB-CG 3.74Å; A381-F723 HydrophobicContact CB-CZ 3.99Å; A381-A726 HydrophobicContact CB-CB 3.35Å
382	E	97.1	Very high	96.7	Very high	26 Å²	26	30.4 Å²	30.4	12%	0.121	16%	0.158	C	C	.	.	H	α-helix	trans	-62.6	-39.6	174.1	-73.5	-77.6	-177.2	0	0	111.7	Y295 K378 T379 R386 V394	Y295-E382 HydrophobicContact CE1-CG 4.39Å; Y295-E382 HydrophobicContact CE2-CG 4.45Å; Y295-E382 PolarHBondContact OH-OE1 3.11Å; K378-E382 WeakPolarHBondContact O-CG 3.44Å; K378-E382 PolarHBondContact O-N 3.25Å; T379-E382 PolarHBondContact O-N 2.85Å; E382-R386 VanDerWaalsContact O-CB 3.23Å; E382-R386 WeakPolarHBondContact O-CB 3.36Å; E382-R386 WeakPolarHBondContact O-CD 3.48Å; E382-R386 WeakPolarHBondContact O-CG 3.39Å; E382-R386 PolarHBondContact O-N 3.15Å; E382-R386 VanDerWaalsContact O-N 3.14Å; E382-R386 IonicContact OE2-CZ 2.74Å; E382-R386 IonicContact OE2-NE 3.81Å; E382-R386 PolarHBondContact OE2-NE 3.48Å; E382-R386 IonicContact OE2-NH2 3.69Å; E382-V394 HydrophobicContact CB-CG1 3.81Å; E382-V394 HydrophobicContact CB-CG2 4.38Å
383	Q	97.4	Very high	96.6	Very high	3 Å²	3	34.5 Å²	34.5	1%	0.014	18%	0.176	C	C	.	.	H	α-helix	trans	-58.4	-49	171.4	-77.8	176.6	-8.6	0	0	111.3	T379 K380 A381 R386 G387 D388 V394 T425	T379-Q383 WeakPolarHBondContact O-CG 3.38Å; T379-Q383 PolarHBondContact O-N 3Å; K380-Q383 WeakPolarHBondContact O-CB 3.46Å; K380-Q383 PolarHBondContact O-N 2.9Å; A381-Q383 VanDerWaalsContact C-N 3.34Å; A381-Q383 PolarHBondContact O-N 2.98Å; Q383-R386 PolarHBondContact O-N 3.04Å; Q383-G387 PolarHBondContact O-N 2.78Å; Q383-G387 VanDerWaalsContact O-N 3.17Å; Q383-D388 HydrophobicContact CB-CB 4.42Å; Q383-D388 HydrophobicContact CG-CB 4.43Å; Q383-D388 PolarHBondContact O-N 2.91Å; Q383-V394 HydrophobicContact CG-CB 3.67Å; Q383-V394 HydrophobicContact CG-CG1 4.08Å; Q383-V394 HydrophobicContact CG-CG2 4.35Å; Q383-V394 PolarHBondContact NE2-O 3.28Å; Q383-T425 PolarHBondContact NE2-O 3.19Å
384	F	96.3	Very high	96.6	Very high	58 Å²	58	34.5 Å²	34.5	25%	0.254	18%	0.176	S	C	.	.	H	α-helix	trans	-60.6	-53.8	-178.9	179.4	-94.7	0	0	0	112.3	K380 A381 R386 G387 H661 P703 F723	K380-F384 WeakPolarHBondContact O-CB 3.35Å; K380-F384 PolarHBondContact O-N 3.16Å; A381-F384 WeakPolarHBondContact O-CB 3.29Å; A381-F384 PolarHBondContact O-N 3.36Å; F384-R386 PolarHBondContact O-N 3.33Å; F384-G387 PolarHBondContact O-N 3.11Å; F384-G387 VanDerWaalsContact O-N 3.12Å; F384-H661 AromaticContact CE1-CE1 3.47Å; F384-H661 VanDerWaalsContact CE1-CE1 3.47Å; F384-H661 WeakPolarHBondContact CE1-CE1 2.91Å; F384-H661 AromaticContact CE1-CG 3.96Å; F384-H661 AromaticContact CE1-ND1 3.44Å; F384-H661 WeakPolarHBondContact CE1-ND1 3.07Å; F384-H661 AromaticContact CE1-NE2 3.99Å; F384-H661 AromaticContact CZ-CE1 3.66Å; F384-H661 AromaticContact CZ-NE2 3.76Å; F384-P703 HydrophobicContact CZ-CB 3.82Å; F384-P703 HydrophobicContact CZ-CG 3.85Å; F384-F723 HydrophobicContact CB-CZ 4.44Å; F384-F723 HydrophobicContact CD1-CZ 4.43Å; F384-F723 HydrophobicContact CG-CZ 4.44Å
385	Y	94.9	Very high	96.5	Very high	87 Å²	87	34.4 Å²	34.4	34%	0.341	18%	0.175	S	C	.	.	H	α-helix	trans	-69.8	-18.4	-176.6	-68.4	-59.9	0	0	0	113.8	A381 H661 F723 A726 A730	A381-Y385 HydrophobicContact CB-CD2 4.37Å; A381-Y385 HydrophobicContact CB-CE2 4.21Å; A381-Y385 WeakPolarHBondContact O-CD2 3.47Å; A381-Y385 PolarHBondContact O-N 3.49Å; Y385-H661 HydrophobicContact CE1-CB 4.38Å; Y385-H661 AromaticContact CZ-ND1 3.75Å; Y385-H661 PolarHBondContact OH-ND1 2.91Å; Y385-F723 HydrophobicContact CE2-CE1 4.39Å; Y385-A726 HydrophobicContact CD2-CB 4.35Å; Y385-A726 HydrophobicContact CE2-CB 4.35Å; Y385-A730 WeakPolarHBondContact OH-CB 3.47Å
386	R	94	Very high	96.5	Very high	101 Å²	101	34.4 Å²	34.4	38%	0.381	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	0.4	175.4	-65.5	171.9	176.3	-86.2	-6.5	113.7	E382 Q383 F384 D388	E382-R386 VanDerWaalsContact O-CB 3.23Å; E382-R386 WeakPolarHBondContact O-CB 3.36Å; E382-R386 WeakPolarHBondContact O-CD 3.48Å; E382-R386 WeakPolarHBondContact O-CG 3.39Å; E382-R386 PolarHBondContact O-N 3.15Å; E382-R386 VanDerWaalsContact O-N 3.14Å; E382-R386 IonicContact OE2-CZ 2.74Å; E382-R386 IonicContact OE2-NE 3.81Å; E382-R386 PolarHBondContact OE2-NE 3.48Å; E382-R386 IonicContact OE2-NH2 3.69Å; Q383-R386 PolarHBondContact O-N 3.04Å; F384-R386 PolarHBondContact O-N 3.33Å; R386-D388 PolarHBondContact O-N 2.59Å
387	G	95.5	Very high	96.5	Very high	58 Å²	58	34 Å²	34	60%	0.598	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.5	26.3	-175.5	0	0	0	0	0	113.6	Q383 F384 M389	Q383-G387 PolarHBondContact O-N 2.78Å; Q383-G387 VanDerWaalsContact O-N 3.17Å; F384-G387 PolarHBondContact O-N 3.11Å; F384-G387 VanDerWaalsContact O-N 3.12Å; G387-M389 PolarHBondContact O-N 3.24Å
388	D	96.4	Very high	96.5	Very high	7 Å²	7	34 Å²	34	4%	0.037	17%	0.173	C	C	.	.			trans	-93.1	63.5	-178.9	-175.4	31.3	0	0	0	112	Q383 R386 A390 G391 K392 K393 V394	Q383-D388 HydrophobicContact CB-CB 4.42Å; Q383-D388 HydrophobicContact CG-CB 4.43Å; Q383-D388 PolarHBondContact O-N 2.91Å; R386-D388 PolarHBondContact O-N 2.59Å; D388-A390 PolarHBondContact O-N 2.77Å; D388-G391 PolarHBondContact O-N 2.7Å; D388-G391 PolarHBondContact OD1-N 3Å; D388-G391 VanDerWaalsContact OD2-C 3.25Å; D388-G391 VanDerWaalsContact OD2-CA 3.25Å; D388-G391 WeakPolarHBondContact OD2-CA 3.41Å; D388-K392 PolarHBondContact OD1-N 3.01Å; D388-K392 PolarHBondContact OD2-N 2.9Å; D388-K392 VanDerWaalsContact OD2-N 3.16Å; D388-K393 HydrophobicContact CB-CB 4.17Å; D388-K393 VanDerWaalsContact CG-N 3.32Å; D388-K393 PolarHBondContact OD1-N 2.99Å; D388-K393 WeakPolarHBondContact OD2-CA 3.28Å; D388-K393 WeakPolarHBondContact OD2-CB 3.15Å; D388-K393 PolarHBondContact OD2-N 3.05Å; D388-V394 PolarHBondContact OD2-N 2.82Å
389	M	91.2	Very high	96.6	Very high	133 Å²	133	34 Å²	34	66%	0.655	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-25.2	-177.4	-61.7	-56.7	-66	0	0	113.3	G387 N426	G387-M389 PolarHBondContact O-N 3.24Å; M389-N426 PolarHBondContact O-ND2 3.3Å
390	A	92.8	Very high	96.6	Very high	50 Å²	50	34 Å²	34	41%	0.413	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	1.9	179.4	0	0	0	0	0	113.6	D388 K392 N489	D388-A390 PolarHBondContact O-N 2.77Å; A390-K392 VanDerWaalsContact C-N 3.28Å; A390-K392 HydrophobicContact CB-CG 3.99Å; A390-K392 PolarHBondContact O-N 3.33Å; A390-N489 PolarHBondContact O-ND2 3.38Å
391	G	94.4	Very high	96.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	61.1	30	-179.6	0	0	0	0	0	114.6	D388 N426 R485	D388-G391 PolarHBondContact O-N 2.7Å; D388-G391 PolarHBondContact OD1-N 3Å; D388-G391 VanDerWaalsContact OD2-C 3.25Å; D388-G391 VanDerWaalsContact OD2-CA 3.25Å; D388-G391 WeakPolarHBondContact OD2-CA 3.41Å; G391-N426 PolarHBondContact N-ND2 3.31Å; G391-R485 PolarHBondContact O-NH1 3.29Å; G391-R485 PolarHBondContact O-NH2 2.62Å
392	K	96.1	Very high	96.6	Very high	76 Å²	76	34 Å²	34	33%	0.33	18%	0.179	S	C	.	.	S	Bend	trans	-90.3	-8.1	-177.6	-61.1	-54.7	-168.1	-161	0	113.7	G292 I293 D388 A390 N486 N489	G292-K392 CarbonylContact C-O 3.41Å; G292-K392 VanDerWaalsContact C-O 3.32Å; I293-K392 VanDerWaalsContact CD1-C 3.5Å; I293-K392 WeakPolarHBondContact CD1-O 3.5Å; D388-K392 PolarHBondContact OD1-N 3.01Å; D388-K392 PolarHBondContact OD2-N 2.9Å; D388-K392 VanDerWaalsContact OD2-N 3.16Å; A390-K392 VanDerWaalsContact C-N 3.28Å; A390-K392 HydrophobicContact CB-CG 3.99Å; A390-K392 PolarHBondContact O-N 3.33Å; K392-N486 PolarHBondContact NZ-O 3.23Å; K392-N489 PolarHBondContact NZ-OD1 3.04Å
393	K	97.2	Very high	96.6	Very high	89 Å²	89	34 Å²	34	39%	0.387	19%	0.185	S	C	.	.	S	Bend	trans	-115.9	-32.2	178.5	-59.6	-177	-179	178.7	0	112.8	E294 Y295 D388	E294-K393 PolarHBondContact N-O 3.38Å; Y295-K393 PolarHBondContact N-O 2.78Å; D388-K393 HydrophobicContact CB-CB 4.17Å; D388-K393 VanDerWaalsContact CG-N 3.32Å; D388-K393 PolarHBondContact OD1-N 2.99Å; D388-K393 WeakPolarHBondContact OD2-CA 3.28Å; D388-K393 WeakPolarHBondContact OD2-CB 3.15Å; D388-K393 PolarHBondContact OD2-N 3.05Å
394	V	98.1	Very high	96.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132.5	-175.1	-174.5	0	0	0	0	109.9	Y295 I297 T379 E382 Q383 D388 R485	Y295-V394 WeakPolarHBondContact O-CA 3.27Å; I297-V394 HydrophobicContact CD1-CG1 3.42Å; I297-V394 VanDerWaalsContact CD1-CG1 3.42Å; T379-V394 HydrophobicContact CG2-CG1 4.18Å; E382-V394 HydrophobicContact CB-CG1 3.81Å; E382-V394 HydrophobicContact CB-CG2 4.38Å; Q383-V394 HydrophobicContact CG-CB 3.67Å; Q383-V394 HydrophobicContact CG-CG1 4.08Å; Q383-V394 HydrophobicContact CG-CG2 4.35Å; Q383-V394 PolarHBondContact NE2-O 3.28Å; D388-V394 PolarHBondContact OD2-N 2.82Å; V394-R485 PolarHBondContact O-NH2 2.89Å
395	M	98.1	Very high	96.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	167.5	176.5	73.8	-176.7	-71.7	0	0	113	I284 S288 I293 Y295 V296 I297 I397 I429 R485	I284-M395 HydrophobicContact CG2-CE 4.5Å; S288-M395 VanDerWaalsContact CB-SD 3.55Å; S288-M395 PolarHBondContact OG-SD 2.71Å; I293-M395 HydrophobicContact CB-SD 4.3Å; I293-M395 HydrophobicContact CD1-CB 4.19Å; I293-M395 HydrophobicContact CD1-CG 4.46Å; I293-M395 HydrophobicContact CD1-SD 4.38Å; I293-M395 HydrophobicContact CG1-CG 4.49Å; I293-M395 HydrophobicContact CG1-SD 3.9Å; I293-M395 HydrophobicContact CG2-CG 3.78Å; I293-M395 HydrophobicContact CG2-SD 3.8Å; Y295-M395 PolarHBondContact O-N 2.96Å; V296-M395 WeakPolarHBondContact CA-O 3.48Å; V296-M395 HydrophobicContact CB-CG 4.41Å; V296-M395 HydrophobicContact CG1-CG 4.21Å; V296-M395 HydrophobicContact CG2-CG 3.97Å; V296-M395 HydrophobicContact CG2-SD 4.3Å; I297-M395 WeakPolarHBondContact CD1-O 3.38Å; I297-M395 PolarHBondContact N-O 3.37Å; M395-I397 HydrophobicContact CE-CG1 4.15Å; M395-I429 HydrophobicContact CE-CD1 3.46Å; M395-I429 VanDerWaalsContact CE-CD1 3.46Å; M395-I429 HydrophobicContact CE-CG1 3.89Å; M395-R485 VanDerWaalsContact CB-NH2 3.3Å
396	S	98.4	Very high	96.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	147.4	172.1	42	0	0	0	0	111.8	I297 Q376 T428 I429	I297-S396 CarbonylContact O-C 3.53Å; I297-S396 VanDerWaalsContact O-CA 3.22Å; I297-S396 WeakPolarHBondContact O-CA 3.19Å; Q376-S396 PolarHBondContact NE2-OG 2.9Å; S396-T428 PolarHBondContact OG-OG1 3.3Å; S396-I429 PolarHBondContact O-N 2.82Å
397	I	98.8	Very high	97.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	126.2	163.9	-55.7	173.1	0	0	0	107.7	L281 I284 I285 V296 I297 M298 G299 M395 L399 I429 V431	L281-I397 HydrophobicContact CD2-CG2 4Å; I284-I397 HydrophobicContact CB-CD1 4.43Å; I284-I397 HydrophobicContact CG2-CD1 3.64Å; I284-I397 HydrophobicContact CG2-CG1 4.32Å; I285-I397 HydrophobicContact CG1-CD1 4.04Å; V296-I397 HydrophobicContact CG1-CD1 3.65Å; V296-I397 HydrophobicContact CG1-CG1 3.8Å; I297-I397 PolarHBondContact O-N 3.03Å; M298-I397 VanDerWaalsContact CA-O 3.27Å; M298-I397 WeakPolarHBondContact CA-O 3.4Å; M298-I397 HydrophobicContact CG-CB 4.13Å; G299-I397 PolarHBondContact N-O 3.32Å; M395-I397 HydrophobicContact CE-CG1 4.15Å; I397-L399 HydrophobicContact CG2-CD1 4.25Å; I397-I429 VanDerWaalsContact CA-O 3.29Å; I397-I429 WeakPolarHBondContact CA-O 3.41Å; I397-I429 WeakPolarHBondContact CG2-O 3.21Å; I397-V431 HydrophobicContact CG2-CG2 4.34Å
398	L	98.9	Very high	97.2	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	129.4	175.5	-71.6	176.7	0	0	0	109.9	D372 V375 H400 T428 I429 H430 V431	D372-L398 HydrophobicContact CB-CD1 3.9Å; D372-L398 HydrophobicContact CB-CD2 4.41Å; V375-L398 HydrophobicContact CB-CD2 3.75Å; V375-L398 HydrophobicContact CG1-CD2 3.74Å; V375-L398 HydrophobicContact CG1-CG 4.37Å; V375-L398 HydrophobicContact CG2-CD2 3.76Å; L398-H400 VanDerWaalsContact CB-NE2 3.33Å; L398-H400 WeakPolarHBondContact CB-NE2 3.45Å; L398-T428 HydrophobicContact CB-CG2 4.24Å; L398-T428 HydrophobicContact CD1-CG2 4.05Å; L398-T428 HydrophobicContact CG-CG2 3.94Å; L398-I429 PolarHBondContact N-O 2.54Å; L398-H430 CarbonylContact O-C 3.49Å; L398-H430 WeakPolarHBondContact O-CA 3.45Å; L398-V431 PolarHBondContact O-N 2.96Å
399	L	98.8	Very high	97.3	Very high	2 Å²	2	30 Å²	30	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	139.7	174	-69.8	97.1	0	0	0	109.8	M277 L281 G299 M300 P301 I397 V431	M277-L399 HydrophobicContact CE-CD2 4.26Å; M277-L399 HydrophobicContact CG-CD2 4.13Å; M277-L399 HydrophobicContact SD-CD2 3.52Å; M277-L399 VanDerWaalsContact SD-CD2 3.52Å; L281-L399 HydrophobicContact CD1-CD1 4.47Å; L281-L399 HydrophobicContact CD1-CD2 3.99Å; L281-L399 HydrophobicContact CD2-CD1 4.08Å; L281-L399 HydrophobicContact CD2-CD2 4.17Å; L281-L399 HydrophobicContact CD2-CG 4.36Å; L281-L399 HydrophobicContact CG-CD2 4.46Å; G299-L399 PolarHBondContact O-N 2.92Å; M300-L399 HydrophobicContact CB-CB 3.62Å; M300-L399 HydrophobicContact CB-CD1 3.88Å; M300-L399 HydrophobicContact CB-CG 4.21Å; M300-L399 HydrophobicContact CE-CD2 4.4Å; P301-L399 WeakPolarHBondContact CD-O 3.44Å; I397-L399 HydrophobicContact CG2-CD1 4.25Å; L399-V431 VanDerWaalsContact CA-O 3.29Å; L399-V431 WeakPolarHBondContact CA-O 3.31Å; L399-V431 HydrophobicContact CG-CB 4.28Å
400	H	98.8	Very high	97.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	159.2	-174.6	-47	-82	0	0	0	111.7	E369 D372 L398 F405 H430 V431 V432 V433	E369-H400 IonicContact OE2-CE1 2.69Å; E369-H400 IonicContact OE2-CG 2.71Å; E369-H400 IonicContact OE2-ND1 2.74Å; E369-H400 PolarHBondContact OE2-ND1 3.2Å; D372-H400 IonicContact OD1-CE1 3.2Å; D372-H400 IonicContact OD2-CE1 3.17Å; D372-H400 PolarHBondContact OD2-CE1 3.39Å; D372-H400 IonicContact OD2-ND1 3.14Å; D372-H400 PolarHBondContact OD2-ND1 3.21Å; L398-H400 VanDerWaalsContact CB-NE2 3.33Å; L398-H400 WeakPolarHBondContact CB-NE2 3.45Å; H400-F405 HydrophobicContact CB-CB 3.93Å; H400-F405 HydrophobicContact CB-CD2 3.63Å; H400-F405 HydrophobicContact CB-CE2 4.42Å; H400-F405 HydrophobicContact CB-CG 4.04Å; H400-F405 AromaticContact CD2-CD2 3.54Å; H400-F405 AromaticContact CD2-CE2 3.43Å; H400-F405 VanDerWaalsContact CD2-CE2 3.43Å; H400-F405 WeakPolarHBondContact CD2-CE2 3.09Å; H400-F405 AromaticContact CE1-CD2 3.9Å; H400-F405 AromaticContact CE1-CE2 3.78Å; H400-F405 AromaticContact CG-CD2 3.29Å; H400-F405 AromaticContact CG-CE2 3.7Å; H400-F405 AromaticContact ND1-CD2 3.56Å; H400-F405 AromaticContact ND1-CE2 3.91Å; H400-F405 AromaticContact NE2-CD2 3.93Å; H400-F405 AromaticContact NE2-CE2 3.5Å; H400-H430 AromaticContact CD2-ND1 3.99Å; H400-H430 AromaticContact CE1-ND1 3.82Å; H400-H430 AromaticContact NE2-CG 3.79Å; H400-H430 AromaticContact NE2-ND1 2.97Å; H400-H430 PolarHBondContact NE2-ND1 2.77Å; H400-V431 PolarHBondContact N-O 2.93Å; H400-V432 HydrophobicContact CB-CG2 4.31Å; H400-V433 PolarHBondContact O-N 2.75Å
401	G	98.3	Very high	98	Very high	20 Å²	20	21.5 Å²	21.5	21%	0.206	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	146.5	162.3	0	0	0	0	0	110.4	A403 A404 F405	G401-A403 PolarHBondContact O-N 3.34Å; G401-A404 PolarHBondContact O-N 3.08Å; G401-F405 WeakPolarHBondContact O-CB 3.24Å; G401-F405 PolarHBondContact O-N 3.31Å
402	D	97.4	Very high	98.1	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.016	16%	0.163	C	C	.	.	H	α-helix	trans	-53.1	-49.2	-175.7	48.2	-62.5	0	0	0	114	A404 A406 V432 N434 N435 I437 P452	D402-A404 PolarHBondContact O-N 2.99Å; D402-A406 PolarHBondContact O-N 3.35Å; D402-V432 HydrophobicContact CB-CG1 4.42Å; D402-N434 HydrophobicContact CB-CB 4.05Å; D402-N435 PolarHBondContact OD1-N 3.04Å; D402-N435 PolarHBondContact OD1-ND2 2.9Å; D402-I437 PolarHBondContact OD2-N 3.46Å; D402-P452 HydrophobicContact CB-CB 3.9Å; D402-P452 HydrophobicContact CB-CG 3.95Å; D402-P452 WeakPolarHBondContact O-CB 3.45Å
403	A	97.3	Very high	98.3	Very high	28 Å²	28	25.4 Å²	25.4	23%	0.231	16%	0.158	C	C	.	.	H	α-helix	trans	-67.3	-37.6	-177.8	0	0	0	0	0	112.9	G401 G407 A446	G401-A403 PolarHBondContact O-N 3.34Å; A403-G407 PolarHBondContact O-N 3.43Å; A403-A446 HydrophobicContact CB-CB 4.4Å
404	A	98.3	Very high	98.3	Very high	9 Å²	9	21.5 Å²	21.5	7%	0.074	14%	0.142	C	C	.	.	H	α-helix	trans	-77.2	-38.8	-178	0	0	0	0	0	111.9	L368 E369 G401 D402 A406 G407 Q408	L368-A404 HydrophobicContact CB-CB 3.78Å; L368-A404 HydrophobicContact CD1-CB 3.61Å; L368-A404 HydrophobicContact CG-CB 4.31Å; E369-A404 HydrophobicContact CG-CB 3.99Å; E369-A404 WeakPolarHBondContact OE1-CB 3.41Å; G401-A404 PolarHBondContact O-N 3.08Å; D402-A404 PolarHBondContact O-N 2.99Å; A404-A406 VanDerWaalsContact C-N 3.25Å; A404-A406 PolarHBondContact O-N 2.78Å; A404-G407 PolarHBondContact O-N 2.91Å; A404-Q408 HydrophobicContact CB-CG 4.37Å; A404-Q408 WeakPolarHBondContact O-CB 3.47Å; A404-Q408 WeakPolarHBondContact O-CG 3.48Å; A404-Q408 PolarHBondContact O-N 3.47Å
405	F	98.6	Very high	98.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-56.7	-40.3	175	-164.4	-117.4	0	0	0	112.3	H400 G401 V411 F415 V432 P452 T453 V455 V493	H400-F405 HydrophobicContact CB-CB 3.93Å; H400-F405 HydrophobicContact CB-CD2 3.63Å; H400-F405 HydrophobicContact CB-CE2 4.42Å; H400-F405 HydrophobicContact CB-CG 4.04Å; H400-F405 AromaticContact CD2-CD2 3.54Å; H400-F405 AromaticContact CD2-CE2 3.43Å; H400-F405 VanDerWaalsContact CD2-CE2 3.43Å; H400-F405 WeakPolarHBondContact CD2-CE2 3.09Å; H400-F405 AromaticContact CE1-CD2 3.9Å; H400-F405 AromaticContact CE1-CE2 3.78Å; H400-F405 AromaticContact CG-CD2 3.29Å; H400-F405 AromaticContact CG-CE2 3.7Å; H400-F405 AromaticContact ND1-CD2 3.56Å; H400-F405 AromaticContact ND1-CE2 3.91Å; H400-F405 AromaticContact NE2-CD2 3.93Å; H400-F405 AromaticContact NE2-CE2 3.5Å; G401-F405 WeakPolarHBondContact O-CB 3.24Å; G401-F405 PolarHBondContact O-N 3.31Å; F405-V411 HydrophobicContact CD2-CG1 3.62Å; F405-V411 HydrophobicContact CD2-CG2 4.35Å; F405-V411 HydrophobicContact CE2-CG1 3.58Å; F405-V411 HydrophobicContact CG-CG1 4.36Å; F405-V411 HydrophobicContact CZ-CG1 4.28Å; F405-F415 HydrophobicContact CE1-CE2 4.43Å; F405-F415 AromaticContact CE2-CE2 3.75Å; F405-F415 HydrophobicContact CE2-CE2 3.75Å; F405-F415 HydrophobicContact CE2-CZ 4.15Å; F405-F415 AromaticContact CZ-CE2 3.45Å; F405-F415 HydrophobicContact CZ-CE2 3.45Å; F405-F415 VanDerWaalsContact CZ-CE2 3.45Å; F405-F415 AromaticContact CZ-CZ 3.66Å; F405-F415 HydrophobicContact CZ-CZ 3.66Å; F405-V432 HydrophobicContact CD1-CG2 3.75Å; F405-V432 HydrophobicContact CD2-CG2 4.36Å; F405-V432 HydrophobicContact CE1-CG2 3.82Å; F405-V432 HydrophobicContact CE2-CG2 4.42Å; F405-V432 HydrophobicContact CG-CG2 4.02Å; F405-V432 HydrophobicContact CZ-CG2 4.14Å; F405-P452 WeakPolarHBondContact CD1-O 3.45Å; F405-T453 HydrophobicContact CD1-CG2 4.29Å; F405-T453 HydrophobicContact CE1-CG2 4.04Å; F405-V455 HydrophobicContact CD1-CG1 3.96Å; F405-V455 HydrophobicContact CE1-CG1 3.68Å; F405-V455 HydrophobicContact CZ-CG1 4.06Å; F405-V493 HydrophobicContact CE1-CG1 4.41Å
406	A	97.9	Very high	98.3	Very high	37 Å²	37	25.2 Å²	25.2	31%	0.306	16%	0.159	S	C	.	.	H	α-helix	trans	-80.8	-31.4	177.3	0	0	0	0	0	113.7	D402 A404 R447 P452	D402-A406 PolarHBondContact O-N 3.35Å; A404-A406 VanDerWaalsContact C-N 3.25Å; A404-A406 PolarHBondContact O-N 2.78Å; A406-R447 HydrophobicContact CB-CB 4.02Å; A406-P452 HydrophobicContact CB-CB 4.37Å
407	G	97.6	Very high	98.2	Very high	49 Å²	49	25.4 Å²	25.4	51%	0.505	16%	0.16	S	C	.	.	H	α-helix	trans	-98.2	-21.9	-167.4	0	0	0	0	0	116	A403 A404	A403-G407 PolarHBondContact O-N 3.43Å; A404-G407 PolarHBondContact O-N 2.91Å
408	Q	98.5	Very high	98	Very high	86 Å²	86	25.8 Å²	25.8	40%	0.402	16%	0.162	S	C	.	.			trans	-93.6	118.9	-176.5	-64	-59.5	-58.3	0	0	111.4	E369 A404 V410 V411	E369-Q408 HydrophobicContact CB-CB 4.09Å; E369-Q408 HydrophobicContact CB-CG 4.4Å; E369-Q408 HydrophobicContact CG-CB 3.92Å; E369-Q408 HydrophobicContact CG-CG 3.96Å; A404-Q408 HydrophobicContact CB-CG 4.37Å; A404-Q408 WeakPolarHBondContact O-CB 3.47Å; A404-Q408 WeakPolarHBondContact O-CG 3.48Å; A404-Q408 PolarHBondContact O-N 3.47Å; Q408-V410 HydrophobicContact CB-CG1 4.32Å; Q408-V410 PolarHBondContact O-N 2.71Å; Q408-V410 VanDerWaalsContact O-N 3.15Å; Q408-V411 HydrophobicContact CB-CG2 4.27Å; Q408-V411 WeakPolarHBondContact O-CB 3.49Å; Q408-V411 PolarHBondContact O-N 2.82Å; Q408-V411 VanDerWaalsContact O-N 3.09Å
409	G	98.4	Very high	97.7	Very high	49 Å²	49	29.7 Å²	29.7	51%	0.505	18%	0.183	S	C	.	.	H	α-helix	trans	-59.7	-26.8	-178.4	0	0	0	0	0	114.7	V411 Y412 E413	G409-V411 PolarHBondContact O-N 2.68Å; G409-Y412 WeakPolarHBondContact O-CB 3.18Å; G409-Y412 PolarHBondContact O-N 2.91Å; G409-Y412 VanDerWaalsContact O-N 3.15Å; G409-E413 PolarHBondContact O-N 3.13Å; G409-E413 VanDerWaalsContact O-N 3.07Å
410	V	98.7	Very high	97.5	Very high	1 Å²	1	32 Å²	32	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-64.2	-23.2	177.5	72.2	0	0	0	0	113.1	E369 P373 Q408 E413 T414 Y714	E369-V410 HydrophobicContact CB-CG1 3.75Å; E369-V410 WeakPolarHBondContact O-CG1 3.38Å; P373-V410 HydrophobicContact CG-CG2 3.9Å; Q408-V410 HydrophobicContact CB-CG1 4.32Å; Q408-V410 PolarHBondContact O-N 2.71Å; Q408-V410 VanDerWaalsContact O-N 3.15Å; V410-E413 PolarHBondContact O-N 3.15Å; V410-T414 WeakPolarHBondContact O-CB 3.14Å; V410-T414 PolarHBondContact O-N 3.48Å; V410-T414 PolarHBondContact O-OG1 3.46Å; V410-Y714 HydrophobicContact CB-CD1 3.94Å; V410-Y714 HydrophobicContact CB-CD2 4.42Å; V410-Y714 HydrophobicContact CB-CE1 3.86Å; V410-Y714 HydrophobicContact CB-CE2 4.34Å; V410-Y714 HydrophobicContact CB-CG 4.23Å; V410-Y714 HydrophobicContact CG1-CE1 4.36Å; V410-Y714 HydrophobicContact CG2-CD1 4.16Å; V410-Y714 HydrophobicContact CG2-CD2 3.8Å; V410-Y714 HydrophobicContact CG2-CE1 4.27Å; V410-Y714 HydrophobicContact CG2-CE2 3.9Å; V410-Y714 HydrophobicContact CG2-CG 3.93Å
411	V	98.8	Very high	97.2	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.012	23%	0.23	C	C	.	.	H	α-helix	trans	-64.6	-49.2	173.2	177	0	0	0	0	109.9	E369 F405 Q408 G409 T414 F415 V455	E369-V411 HydrophobicContact CB-CG2 3.58Å; E369-V411 HydrophobicContact CG-CG2 3.53Å; F405-V411 HydrophobicContact CD2-CG1 3.62Å; F405-V411 HydrophobicContact CD2-CG2 4.35Å; F405-V411 HydrophobicContact CE2-CG1 3.58Å; F405-V411 HydrophobicContact CG-CG1 4.36Å; F405-V411 HydrophobicContact CZ-CG1 4.28Å; Q408-V411 HydrophobicContact CB-CG2 4.27Å; Q408-V411 WeakPolarHBondContact O-CB 3.49Å; Q408-V411 PolarHBondContact O-N 2.82Å; Q408-V411 VanDerWaalsContact O-N 3.09Å; G409-V411 PolarHBondContact O-N 2.68Å; V411-T414 PolarHBondContact O-N 2.75Å; V411-F415 HydrophobicContact CG1-CD2 3.88Å; V411-F415 HydrophobicContact CG1-CE2 3.79Å; V411-F415 WeakPolarHBondContact O-CD2 2.89Å; V411-F415 PolarHBondContact O-N 2.97Å; V411-V455 HydrophobicContact CG1-CG1 3.92Å; V411-V455 HydrophobicContact CG1-CG2 4.39Å
412	Y	98.4	Very high	97.1	Very high	110 Å²	110	38.3 Å²	38.3	43%	0.431	23%	0.234	S	C	.	.	H	α-helix	trans	-59.4	-47.7	174.1	167.6	-87.6	0	0	0	111.2	G409 T414 F415 H416 V458	G409-Y412 WeakPolarHBondContact O-CB 3.18Å; G409-Y412 PolarHBondContact O-N 2.91Å; G409-Y412 VanDerWaalsContact O-N 3.15Å; Y412-T414 PolarHBondContact O-N 3.15Å; Y412-F415 PolarHBondContact O-N 3.36Å; Y412-H416 WeakPolarHBondContact O-CB 3.34Å; Y412-H416 PolarHBondContact O-N 3.28Å; Y412-V458 HydrophobicContact CD2-CB 4.33Å; Y412-V458 HydrophobicContact CD2-CG1 4.23Å; Y412-V458 HydrophobicContact CD2-CG2 4.09Å; Y412-V458 HydrophobicContact CE2-CB 4.12Å; Y412-V458 HydrophobicContact CE2-CG1 4.36Å; Y412-V458 HydrophobicContact CE2-CG2 3.42Å; Y412-V458 VanDerWaalsContact CE2-CG2 3.42Å
413	E	98.6	Very high	97.1	Very high	48 Å²	48	38.4 Å²	38.4	22%	0.224	23%	0.234	C	C	.	.	H	α-helix	trans	-58.5	-40	179.3	-69.8	-176.4	-143.3	0	0	111.4	G409 V410 H416 L417 S712 G715	G409-E413 PolarHBondContact O-N 3.13Å; G409-E413 VanDerWaalsContact O-N 3.07Å; V410-E413 PolarHBondContact O-N 3.15Å; E413-H416 WeakPolarHBondContact O-CB 3.47Å; E413-H416 PolarHBondContact O-N 3.34Å; E413-L417 WeakPolarHBondContact O-CG 3.29Å; E413-L417 PolarHBondContact O-N 3.12Å; E413-S712 WeakPolarHBondContact OE2-CB 3.49Å; E413-S712 PolarHBondContact OE2-OG 3.05Å; E413-G715 PolarHBondContact OE2-N 2.92Å
414	T	98.6	Very high	97.1	Very high	7 Å²	7	38 Å²	38	4%	0.043	23%	0.229	C	C	.	.	H	α-helix	trans	-69.5	-44.6	179	-55.6	0	0	0	0	112.2	D372 P373 Q376 V410 V411 Y412 H416 L417	D372-T414 HydrophobicContact CB-CG2 4.15Å; P373-T414 WeakPolarHBondContact CD-OG1 3.13Å; Q376-T414 HydrophobicContact CG-CG2 3.6Å; V410-T414 WeakPolarHBondContact O-CB 3.14Å; V410-T414 PolarHBondContact O-N 3.48Å; V410-T414 PolarHBondContact O-OG1 3.46Å; V411-T414 PolarHBondContact O-N 2.75Å; Y412-T414 PolarHBondContact O-N 3.15Å; T414-H416 PolarHBondContact O-N 2.92Å; T414-L417 WeakPolarHBondContact O-CB 3.5Å; T414-L417 PolarHBondContact O-N 2.74Å; T414-L417 VanDerWaalsContact O-N 3.1Å
415	F	98.3	Very high	97	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.009	23%	0.226	C	C	.	.	H	α-helix	trans	-57	-41.6	172.2	-88.9	-62.9	0	0	0	111.4	F405 V411 Y412 L417 S418 H430 V455 A456 V458 V459 D491 V493	F405-F415 HydrophobicContact CE1-CE2 4.43Å; F405-F415 AromaticContact CE2-CE2 3.75Å; F405-F415 HydrophobicContact CE2-CE2 3.75Å; F405-F415 HydrophobicContact CE2-CZ 4.15Å; F405-F415 AromaticContact CZ-CE2 3.45Å; F405-F415 HydrophobicContact CZ-CE2 3.45Å; F405-F415 VanDerWaalsContact CZ-CE2 3.45Å; F405-F415 AromaticContact CZ-CZ 3.66Å; F405-F415 HydrophobicContact CZ-CZ 3.66Å; V411-F415 HydrophobicContact CG1-CD2 3.88Å; V411-F415 HydrophobicContact CG1-CE2 3.79Å; V411-F415 WeakPolarHBondContact O-CD2 2.89Å; V411-F415 PolarHBondContact O-N 2.97Å; Y412-F415 PolarHBondContact O-N 3.36Å; F415-L417 PolarHBondContact O-N 2.71Å; F415-L417 VanDerWaalsContact O-N 3.12Å; F415-S418 VanDerWaalsContact O-CB 3.27Å; F415-S418 WeakPolarHBondContact O-CB 3.48Å; F415-S418 PolarHBondContact O-N 3.2Å; F415-S418 PolarHBondContact O-OG 3.15Å; F415-H430 AromaticContact CE1-CD2 3.71Å; F415-H430 AromaticContact CE1-CE1 3.64Å; F415-H430 AromaticContact CE1-NE2 3.31Å; F415-H430 VanDerWaalsContact CE1-NE2 3.31Å; F415-H430 WeakPolarHBondContact CE1-NE2 3.44Å; F415-H430 AromaticContact CZ-CD2 3.8Å; F415-H430 AromaticContact CZ-CE1 3.51Å; F415-H430 AromaticContact CZ-CG 3.87Å; F415-H430 AromaticContact CZ-ND1 3.71Å; F415-H430 AromaticContact CZ-NE2 3.61Å; F415-V455 HydrophobicContact CD2-CG1 4.47Å; F415-V455 HydrophobicContact CE2-CG1 4.16Å; F415-A456 HydrophobicContact CE1-CB 4.15Å; F415-A456 HydrophobicContact CE2-CB 4.14Å; F415-A456 HydrophobicContact CZ-CB 3.79Å; F415-V458 HydrophobicContact CB-CG1 3.97Å; F415-V459 HydrophobicContact CB-CG1 4.41Å; F415-V459 HydrophobicContact CB-CG2 4.35Å; F415-V459 HydrophobicContact CD1-CG2 3.72Å; F415-V459 HydrophobicContact CE1-CG2 4.48Å; F415-V459 HydrophobicContact CG-CG2 4.36Å; F415-V459 WeakPolarHBondContact O-CG1 3.46Å; F415-D491 HydrophobicContact CD1-CB 4.44Å; F415-D491 VanDerWaalsContact CD1-OD2 3.28Å; F415-D491 WeakPolarHBondContact CD1-OD2 2.96Å; F415-D491 HydrophobicContact CE1-CB 4.08Å; F415-D491 WeakPolarHBondContact CE1-OD2 3.45Å; F415-V493 HydrophobicContact CZ-CG2 4.19Å
416	H	96.4	Very high	96.9	Very high	77 Å²	77	38.9 Å²	38.9	36%	0.356	23%	0.232	S	C	.	.	H	α-helix	trans	-62.3	-20.4	-179.6	-167.5	69.3	0	0	0	113.4	Y412 E413 T414 L420	Y412-H416 WeakPolarHBondContact O-CB 3.34Å; Y412-H416 PolarHBondContact O-N 3.28Å; E413-H416 WeakPolarHBondContact O-CB 3.47Å; E413-H416 PolarHBondContact O-N 3.34Å; T414-H416 PolarHBondContact O-N 2.92Å; H416-L420 WeakPolarHBondContact O-CG 3.49Å
417	L	97.1	Very high	96.9	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.021	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-16.4	175	-60.9	-179.9	0	0	0	113.8	E413 T414 F415 D419 L420 Y423 S710 V716 F719	E413-L417 WeakPolarHBondContact O-CG 3.29Å; E413-L417 PolarHBondContact O-N 3.12Å; T414-L417 WeakPolarHBondContact O-CB 3.5Å; T414-L417 PolarHBondContact O-N 2.74Å; T414-L417 VanDerWaalsContact O-N 3.1Å; F415-L417 PolarHBondContact O-N 2.71Å; F415-L417 VanDerWaalsContact O-N 3.12Å; L417-D419 VanDerWaalsContact C-N 3.32Å; L417-D419 PolarHBondContact O-N 3.15Å; L417-L420 HydrophobicContact CD2-CD1 3.86Å; L417-L420 PolarHBondContact O-N 3.23Å; L417-Y423 HydrophobicContact CD2-CD1 4.28Å; L417-Y423 HydrophobicContact CD2-CD2 4.46Å; L417-Y423 HydrophobicContact CD2-CG 4.09Å; L417-S710 WeakPolarHBondContact CD2-OG 3.27Å; L417-V716 HydrophobicContact CD2-CG2 4.24Å; L417-F719 HydrophobicContact CD1-CB 4.32Å; L417-F719 HydrophobicContact CD1-CD2 4.1Å
418	S	94.4	Very high	96.9	Very high	7 Å²	7	34.9 Å²	34.9	5%	0.049	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-32.6	-164.6	65.8	0	0	0	0	114.7	F415 T424 D491	F415-S418 VanDerWaalsContact O-CB 3.27Å; F415-S418 WeakPolarHBondContact O-CB 3.48Å; F415-S418 PolarHBondContact O-N 3.2Å; F415-S418 PolarHBondContact O-OG 3.15Å; S418-T424 VanDerWaalsContact O-CA 3.26Å; S418-T424 WeakPolarHBondContact O-CA 3.39Å; S418-T424 WeakPolarHBondContact O-CB 3.12Å; S418-T424 PolarHBondContact O-OG1 2.99Å; S418-D491 WeakPolarHBondContact CB-OD2 3.16Å
419	D	92.5	Very high	96.9	Very high	83 Å²	83	30.8 Å²	30.8	44%	0.444	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	0.7	179.7	-84.6	-11.9	0	0	0	113.3	L417	L417-D419 VanDerWaalsContact C-N 3.32Å; L417-D419 PolarHBondContact O-N 3.15Å
420	L	95.8	Very high	97	Very high	51 Å²	51	28.6 Å²	28.6	27%	0.267	15%	0.152	S	C	.	.	S	Bend	trans	-73.4	128.7	178.4	-61.1	-177.1	0	0	0	110.3	H416 L417 S422 Y423 T424	H416-L420 WeakPolarHBondContact O-CG 3.49Å; L417-L420 HydrophobicContact CD2-CD1 3.86Å; L417-L420 PolarHBondContact O-N 3.23Å; L420-S422 VanDerWaalsContact C-N 3.3Å; L420-S422 PolarHBondContact O-N 3.07Å; L420-Y423 HydrophobicContact CB-CD2 3.91Å; L420-Y423 HydrophobicContact CD1-CD2 4.25Å; L420-Y423 CarbonylContact O-C 3.58Å; L420-Y423 PolarHBondContact O-N 2.94Å; L420-T424 WeakPolarHBondContact O-CB 3.46Å; L420-T424 PolarHBondContact O-N 3.2Å
421	P	92.4	Very high	97	Very high	112 Å²	112	28.6 Å²	28.6	73%	0.727	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-39.6	-168.7	-30.8	35.1	0	0	0	115.9
422	S	94.5	Very high	97	Very high	40 Å²	40	28.5 Å²	28.5	28%	0.28	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-4.5	-177.7	-61.5	0	0	0	0	114.6	L420 R663 C707	L420-S422 VanDerWaalsContact C-N 3.3Å; L420-S422 PolarHBondContact O-N 3.07Å; S422-R663 PolarHBondContact O-NH1 3.06Å; S422-R663 PolarHBondContact O-NH2 3.4Å; S422-C707 VanDerWaalsContact CB-CB 3.41Å; S422-C707 VanDerWaalsContact OG-CB 3.24Å; S422-C707 WeakPolarHBondContact OG-CB 3.44Å
423	Y	97.7	Very high	97	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.016	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.3	-24.2	-176.1	-57.6	-87.2	0	0	0	113.5	L417 L420 T425 S665 S709 V716 F719	L417-Y423 HydrophobicContact CD2-CD1 4.28Å; L417-Y423 HydrophobicContact CD2-CD2 4.46Å; L417-Y423 HydrophobicContact CD2-CG 4.09Å; L420-Y423 HydrophobicContact CB-CD2 3.91Å; L420-Y423 HydrophobicContact CD1-CD2 4.25Å; L420-Y423 CarbonylContact O-C 3.58Å; L420-Y423 PolarHBondContact O-N 2.94Å; Y423-T425 PolarHBondContact O-N 2.83Å; Y423-S665 PolarHBondContact OH-OG 3.28Å; Y423-S709 WeakPolarHBondContact OH-CA 3.48Å; Y423-S709 WeakPolarHBondContact OH-CB 3.29Å; Y423-V716 HydrophobicContact CE1-CG1 4.21Å; Y423-F719 AromaticContact CD1-CD1 3.78Å; Y423-F719 HydrophobicContact CD1-CD1 3.78Å; Y423-F719 HydrophobicContact CD1-CD2 4.25Å; Y423-F719 AromaticContact CD1-CE1 3.81Å; Y423-F719 HydrophobicContact CD1-CE1 3.81Å; Y423-F719 HydrophobicContact CD1-CE2 4.27Å; Y423-F719 HydrophobicContact CD1-CG 4.01Å; Y423-F719 HydrophobicContact CD1-CZ 4.04Å; Y423-F719 HydrophobicContact CE1-CD1 4.23Å; Y423-F719 HydrophobicContact CE1-CE1 4.47Å; Y423-F719 WeakPolarHBondContact O-CE2 3.36Å; Y423-F719 WeakPolarHBondContact O-CZ 3.5Å
424	T	97.3	Very high	96.9	Very high	21 Å²	21	21.5 Å²	21.5	13%	0.129	12%	0.123	C	C	.	.			trans	-53.8	129.9	-178.1	-179.3	0	0	0	0	111.7	K380 S418 L420 N426	K380-T424 VanDerWaalsContact CD-O 3.26Å; K380-T424 WeakPolarHBondContact CD-O 3.4Å; K380-T424 PolarHBondContact NZ-O 3Å; S418-T424 VanDerWaalsContact O-CA 3.26Å; S418-T424 WeakPolarHBondContact O-CA 3.39Å; S418-T424 WeakPolarHBondContact O-CB 3.12Å; S418-T424 PolarHBondContact O-OG1 2.99Å; L420-T424 WeakPolarHBondContact O-CB 3.46Å; L420-T424 PolarHBondContact O-N 3.2Å; T424-N426 PolarHBondContact OG1-N 2.93Å; T424-N426 VanDerWaalsContact OG1-N 3.11Å
425	T	97.2	Very high	96.8	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	12%	0.124	C	C	.	.			trans	-101	14.6	172.4	55.3	0	0	0	0	111.4	Q376 T379 K380 Q383 Y423 G427 R485	Q376-T425 HydrophobicContact CB-CG2 4.22Å; Q376-T425 VanDerWaalsContact O-CG2 3.28Å; Q376-T425 WeakPolarHBondContact O-CG2 3.24Å; Q376-T425 PolarHBondContact OE1-OG1 2.92Å; T379-T425 HydrophobicContact CG2-CG2 3.91Å; K380-T425 HydrophobicContact CB-CG2 4.2Å; Q383-T425 PolarHBondContact NE2-O 3.19Å; Y423-T425 PolarHBondContact O-N 2.83Å; T425-G427 VanDerWaalsContact C-N 3.33Å; T425-G427 PolarHBondContact O-N 2.92Å; T425-R485 PolarHBondContact O-NH2 3.31Å
426	N	96.8	Very high	96.7	Very high	25 Å²	25	21.6 Å²	21.6	13%	0.134	12%	0.123	C	C	.	.	S	Bend	trans	58	43.6	179.3	-61.4	-73.8	0	0	0	112.7	M389 G391 T424 R485 N489	M389-N426 PolarHBondContact O-ND2 3.3Å; G391-N426 PolarHBondContact N-ND2 3.31Å; T424-N426 PolarHBondContact OG1-N 2.93Å; T424-N426 VanDerWaalsContact OG1-N 3.11Å; N426-R485 PolarHBondContact O-NE 3.41Å; N426-R485 PolarHBondContact O-NH2 3.35Å; N426-N489 VanDerWaalsContact C-C 3.47Å; N426-N489 CarbonylContact C-O 3.57Å; N426-N489 WeakPolarHBondContact CA-O 3.24Å; N426-N489 HydrophobicContact CB-CB 3.98Å; N426-N489 CarbonylContact O-C 3.51Å; N426-N489 VanDerWaalsContact O-CA 3.31Å; N426-N489 WeakPolarHBondContact O-CA 3.1Å; N426-N489 PolarHBondContact O-ND2 3.45Å
427	G	96.6	Very high	96.6	Very high	1 Å²	1	18 Å²	18	1%	0.01	11%	0.107	C	C	.	.			trans	91.2	131.6	174.7	0	0	0	0	0	114.6	T425 R485 N489 D491	T425-G427 VanDerWaalsContact C-N 3.33Å; T425-G427 PolarHBondContact O-N 2.92Å; G427-R485 WeakPolarHBondContact O-CG 3.29Å; G427-R485 PolarHBondContact O-NE 2.7Å; G427-N489 PolarHBondContact N-O 3.03Å; G427-D491 VanDerWaalsContact CA-OD1 3.28Å; G427-D491 WeakPolarHBondContact CA-OD1 3.35Å
428	T	98.6	Very high	96.5	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	141.1	174.4	-57	0	0	0	0	110.6	Q376 S396 L398 H430 D491 V492	Q376-T428 PolarHBondContact NE2-OG1 3.45Å; Q376-T428 PolarHBondContact OE1-OG1 2.99Å; Q376-T428 VanDerWaalsContact OE1-OG1 3.13Å; S396-T428 PolarHBondContact OG-OG1 3.3Å; L398-T428 HydrophobicContact CB-CG2 4.24Å; L398-T428 HydrophobicContact CD1-CG2 4.05Å; L398-T428 HydrophobicContact CG-CG2 3.94Å; T428-H430 WeakPolarHBondContact CB-NE2 3.35Å; T428-H430 PolarHBondContact O-CD2 3.15Å; T428-D491 PolarHBondContact N-OD1 2.65Å; T428-D491 VanDerWaalsContact O-CA 3.24Å; T428-D491 WeakPolarHBondContact O-CA 3.36Å; T428-V492 PolarHBondContact O-N 3.05Å; T428-V492 VanDerWaalsContact O-N 3.07Å
429	I	98.9	Very high	96.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	116.7	169.6	-57.8	-179.9	0	0	0	108.4	I284 M395 S396 I397 L398 V431 A481 A482 R485 V492	I284-I429 HydrophobicContact CD1-CG2 3.95Å; I284-I429 HydrophobicContact CG2-CD1 3.55Å; I284-I429 HydrophobicContact CG2-CG2 4.44Å; M395-I429 HydrophobicContact CE-CD1 3.46Å; M395-I429 VanDerWaalsContact CE-CD1 3.46Å; M395-I429 HydrophobicContact CE-CG1 3.89Å; S396-I429 PolarHBondContact O-N 2.82Å; I397-I429 VanDerWaalsContact CA-O 3.29Å; I397-I429 WeakPolarHBondContact CA-O 3.41Å; I397-I429 WeakPolarHBondContact CG2-O 3.21Å; L398-I429 PolarHBondContact N-O 2.54Å; I429-V431 HydrophobicContact CG2-CG2 4.49Å; I429-A481 HydrophobicContact CG2-CB 4.39Å; I429-A482 HydrophobicContact CD1-CB 4.33Å; I429-R485 HydrophobicContact CD1-CB 4.09Å; I429-R485 HydrophobicContact CG1-CB 3.88Å; I429-R485 HydrophobicContact CG1-CG 4.07Å; I429-V492 HydrophobicContact CB-CG1 4.38Å; I429-V492 HydrophobicContact CG1-CG1 3.87Å; I429-V492 HydrophobicContact CG2-CG1 4.34Å
430	H	98.9	Very high	96.7	Very high	4 Å²	4	22 Å²	22	2%	0.019	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	131.6	178	-61.6	-98.7	0	0	0	109.8	L398 H400 F415 T428 D491 V492 V493 V494	L398-H430 CarbonylContact O-C 3.49Å; L398-H430 WeakPolarHBondContact O-CA 3.45Å; H400-H430 AromaticContact CD2-ND1 3.99Å; H400-H430 AromaticContact CE1-ND1 3.82Å; H400-H430 AromaticContact NE2-CG 3.79Å; H400-H430 AromaticContact NE2-ND1 2.97Å; H400-H430 PolarHBondContact NE2-ND1 2.77Å; F415-H430 AromaticContact CE1-CD2 3.71Å; F415-H430 AromaticContact CE1-CE1 3.64Å; F415-H430 AromaticContact CE1-NE2 3.31Å; F415-H430 VanDerWaalsContact CE1-NE2 3.31Å; F415-H430 WeakPolarHBondContact CE1-NE2 3.44Å; F415-H430 AromaticContact CZ-CD2 3.8Å; F415-H430 AromaticContact CZ-CE1 3.51Å; F415-H430 AromaticContact CZ-CG 3.87Å; F415-H430 AromaticContact CZ-ND1 3.71Å; F415-H430 AromaticContact CZ-NE2 3.61Å; T428-H430 WeakPolarHBondContact CB-NE2 3.35Å; T428-H430 PolarHBondContact O-CD2 3.15Å; H430-D491 IonicContact NE2-OD2 4Å; H430-D491 PolarHBondContact NE2-OD2 3.49Å; H430-V492 PolarHBondContact N-O 2.83Å; H430-V493 HydrophobicContact CB-CB 4.42Å; H430-V493 HydrophobicContact CB-CG1 4.27Å; H430-V493 HydrophobicContact CB-CG2 4.11Å; H430-V494 PolarHBondContact O-N 3.45Å
431	V	98.9	Very high	96.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	108.9	175.9	-178.3	0	0	0	0	108.5	L281 I284 I397 L398 L399 H400 I429 V494 L496	L281-V431 HydrophobicContact CD2-CG2 4.32Å; I284-V431 HydrophobicContact CD1-CG2 3.87Å; I397-V431 HydrophobicContact CG2-CG2 4.34Å; L398-V431 PolarHBondContact O-N 2.96Å; L399-V431 VanDerWaalsContact CA-O 3.29Å; L399-V431 WeakPolarHBondContact CA-O 3.31Å; L399-V431 HydrophobicContact CG-CB 4.28Å; H400-V431 PolarHBondContact N-O 2.93Å; I429-V431 HydrophobicContact CG2-CG2 4.49Å; V431-V494 WeakPolarHBondContact CA-O 3.28Å; V431-L496 HydrophobicContact CG1-CD1 3.59Å; V431-L496 HydrophobicContact CG1-CG 4.01Å
432	V	98.8	Very high	96.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	119	179.7	-175.2	0	0	0	0	108.9	H400 D402 F405 N434 T453 V493 V494 L496	H400-V432 HydrophobicContact CB-CG2 4.31Å; D402-V432 HydrophobicContact CB-CG1 4.42Å; F405-V432 HydrophobicContact CD1-CG2 3.75Å; F405-V432 HydrophobicContact CD2-CG2 4.36Å; F405-V432 HydrophobicContact CE1-CG2 3.82Å; F405-V432 HydrophobicContact CE2-CG2 4.42Å; F405-V432 HydrophobicContact CG-CG2 4.02Å; F405-V432 HydrophobicContact CZ-CG2 4.14Å; V432-N434 VanDerWaalsContact C-N 3.29Å; V432-N434 HydrophobicContact CG1-CB 4.31Å; V432-N434 PolarHBondContact O-N 3.33Å; V432-N434 VanDerWaalsContact O-N 3.09Å; V432-T453 HydrophobicContact CB-CG2 4.38Å; V432-T453 HydrophobicContact CG2-CG2 3.94Å; V432-V493 HydrophobicContact CG2-CG1 3.94Å; V432-V494 PolarHBondContact N-O 3.39Å; V432-L496 WeakPolarHBondContact O-CB 3.38Å; V432-L496 PolarHBondContact O-N 2.83Å
433	V	98.6	Very high	96.3	Very high	5 Å²	5	18 Å²	18	3%	0.03	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	79.3	173.8	-176	0	0	0	0	108.2	C274 M277 R303 H400 N435	C274-V433 HydrophobicContact CB-CG1 4.14Å; M277-V433 HydrophobicContact SD-CG2 3.48Å; M277-V433 WeakPolarHBondContact SD-CG2 3.32Å; R303-V433 HydrophobicContact CG-CG1 4.16Å; H400-V433 PolarHBondContact O-N 2.75Å; V433-N435 VanDerWaalsContact C-N 3.33Å; V433-N435 PolarHBondContact O-N 3.1Å; V433-N435 PolarHBondContact O-ND2 3.13Å
434	N	97.8	Very high	95.8	Very high	6 Å²	6	25.7 Å²	25.7	3%	0.032	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	81.8	-176.2	179.7	6.4	0	0	0	111	D402 V432 Q436 D495 L496 C498	D402-N434 HydrophobicContact CB-CB 4.05Å; V432-N434 VanDerWaalsContact C-N 3.29Å; V432-N434 HydrophobicContact CG1-CB 4.31Å; V432-N434 PolarHBondContact O-N 3.33Å; V432-N434 VanDerWaalsContact O-N 3.09Å; N434-Q436 PolarHBondContact O-N 2.82Å; N434-Q436 PolarHBondContact OD1-N 2.89Å; N434-D495 WeakPolarHBondContact CB-OD1 3.46Å; N434-D495 PolarHBondContact ND2-OD1 3.41Å; N434-D495 VanDerWaalsContact ND2-OD1 3.13Å; N434-D495 PolarHBondContact ND2-OD2 3.16Å; N434-L496 PolarHBondContact N-O 2.69Å; N434-C498 PolarHBondContact O-N 3.23Å; N434-C498 PolarHBondContact O-SG 2.92Å
435	N	96.4	Very high	95.4	Very high	11 Å²	11	31.7 Å²	31.7	6%	0.059	16%	0.159	C	C	.	.			trans	-86.6	10.3	178.9	61.7	98.4	0	0	0	112.4	R303 D402 V433 I437 C498 R500	R303-N435 PolarHBondContact NH1-ND2 3.35Å; R303-N435 PolarHBondContact NH1-OD1 2.87Å; D402-N435 PolarHBondContact OD1-N 3.04Å; D402-N435 PolarHBondContact OD1-ND2 2.9Å; V433-N435 VanDerWaalsContact C-N 3.33Å; V433-N435 PolarHBondContact O-N 3.1Å; V433-N435 PolarHBondContact O-ND2 3.13Å; N435-I437 PolarHBondContact O-N 3.05Å; N435-I437 VanDerWaalsContact OD1-CG2 3.27Å; N435-I437 WeakPolarHBondContact OD1-CG2 3.11Å; N435-I437 PolarHBondContact OD1-O 3.19Å; N435-I437 VanDerWaalsContact OD1-O 3.12Å; N435-C498 VanDerWaalsContact CA-SG 3.54Å; N435-C498 PolarHBondContact N-SG 3.12Å; N435-R500 HydrophobicContact CB-CB 4.27Å
436	Q	95.1	Very high	95.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	64.1	23.8	172.3	-41.8	173.1	30.6	0	0	113.5	D139 L144 N434 P443 C498 M517	D139-Q436 PolarHBondContact OD1-NE2 3.15Å; D139-Q436 PolarHBondContact OD1-OE1 2.92Å; L144-Q436 HydrophobicContact CD1-CB 4.4Å; L144-Q436 HydrophobicContact CD1-CG 3.71Å; L144-Q436 HydrophobicContact CG-CG 4.49Å; N434-Q436 PolarHBondContact O-N 2.82Å; N434-Q436 PolarHBondContact OD1-N 2.89Å; Q436-P443 HydrophobicContact CB-CG 4.2Å; Q436-P443 WeakPolarHBondContact O-CD 3.24Å; Q436-P443 WeakPolarHBondContact O-CG 3.44Å; Q436-C498 PolarHBondContact NE2-O 2.76Å; Q436-M517 HydrophobicContact CB-CE 4.15Å; Q436-M517 WeakPolarHBondContact O-CE 3.48Å
437	I	94.9	Very high	94.8	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.015	17%	0.172	C	C	.	.			trans	-160.6	127.1	179.9	-168.6	176.7	0	0	0	112.2	D402 N435 F439 Q514 M517 Y518	D402-I437 PolarHBondContact OD2-N 3.46Å; N435-I437 PolarHBondContact O-N 3.05Å; N435-I437 VanDerWaalsContact OD1-CG2 3.27Å; N435-I437 WeakPolarHBondContact OD1-CG2 3.11Å; N435-I437 PolarHBondContact OD1-O 3.19Å; N435-I437 VanDerWaalsContact OD1-O 3.12Å; I437-F439 VanDerWaalsContact CD1-O 3.25Å; I437-F439 WeakPolarHBondContact CD1-O 3.31Å; I437-F439 WeakPolarHBondContact CG1-O 3.42Å; I437-Q514 HydrophobicContact CD1-CG 3.49Å; I437-Q514 VanDerWaalsContact CD1-CG 3.49Å; I437-M517 HydrophobicContact CB-SD 4.39Å; I437-M517 HydrophobicContact CD1-SD 4.42Å; I437-Y518 HydrophobicContact CD1-CE2 4.42Å
438	G	94.5	Very high	94.6	Very high	19 Å²	19	39.8 Å²	39.8	20%	0.196	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-96.8	92.9	171.6	0	0	0	0	0	111.1	T440 T441	G438-T440 PolarHBondContact O-N 2.83Å; G438-T441 PolarHBondContact N-O 2.74Å; G438-T441 WeakPolarHBondContact O-CB 3.25Å; G438-T441 PolarHBondContact O-N 2.74Å
439	F	95.6	Very high	94.1	Very high	99 Å²	99	41.3 Å²	41.3	43%	0.434	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	-91.6	-169.6	-163.6	-43.3	0	0	0	111.6	I437 R500 H504	I437-F439 VanDerWaalsContact CD1-O 3.25Å; I437-F439 WeakPolarHBondContact CD1-O 3.31Å; I437-F439 WeakPolarHBondContact CG1-O 3.42Å; F439-R500 PolarHBondContact O-NH2 3.4Å; F439-H504 HydrophobicContact CB-CB 4.44Å; F439-H504 HydrophobicContact CD1-CB 3.79Å; F439-H504 HydrophobicContact CD2-CB 4.22Å; F439-H504 AromaticContact CD2-CD2 3.26Å; F439-H504 WeakPolarHBondContact CD2-CD2 3.38Å; F439-H504 AromaticContact CD2-CG 3.68Å; F439-H504 AromaticContact CD2-NE2 3.77Å; F439-H504 HydrophobicContact CE1-CB 4.09Å; F439-H504 HydrophobicContact CE2-CB 4.48Å; F439-H504 AromaticContact CE2-CD2 3.47Å; F439-H504 VanDerWaalsContact CE2-CD2 3.47Å; F439-H504 WeakPolarHBondContact CE2-CD2 3.33Å; F439-H504 HydrophobicContact CG-CB 3.88Å; F439-H504 AromaticContact CG-CD2 3.79Å; F439-H504 AromaticContact CG-CG 3.68Å; F439-H504 HydrophobicContact CZ-CB 4.43Å
440	T	95.3	Very high	93.5	Very high	60 Å²	60	43.1 Å²	43.1	37%	0.368	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	5.2	176.5	57.5	0	0	0	0	112.5	G438 T513 Q514	G438-T440 PolarHBondContact O-N 2.83Å; T440-T513 HydrophobicContact CG2-CG2 4.02Å; T440-Q514 PolarHBondContact O-NE2 3.38Å
441	T	94.1	Very high	93.3	Very high	57 Å²	57	43.5 Å²	43.5	35%	0.35	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-96.2	124	-176.6	-53.6	0	0	0	0	109.8	G438 M445 A446	G438-T441 PolarHBondContact N-O 2.74Å; G438-T441 WeakPolarHBondContact O-CB 3.25Å; G438-T441 PolarHBondContact O-N 2.74Å; T441-M445 HydrophobicContact CG2-CB 3.73Å; T441-A446 HydrophobicContact CG2-CB 4.16Å
442	D	90.8	Very high	93.1	Very high	50 Å²	50	43.6 Å²	43.6	27%	0.267	24%	0.238	S	C	.	.			trans	-68.1	152	173.5	-75.4	-46.7	0	0	0	111.7	R444 M445 A446 Q514	D442-R444 HydrophobicContact CB-CG 4.04Å; D442-R444 PolarHBondContact O-N 3.35Å; D442-R444 VanDerWaalsContact O-N 3.12Å; D442-M445 WeakPolarHBondContact O-CA 3.24Å; D442-M445 PolarHBondContact O-N 3.35Å; D442-A446 PolarHBondContact O-N 2.76Å; D442-A446 VanDerWaalsContact O-N 3.13Å; D442-Q514 PolarHBondContact OD1-NE2 3.32Å
443	P	90.1	Very high	93	Very high	11 Å²	11	43.6 Å²	43.6	7%	0.071	24%	0.238	C	C	.	.	H	α-helix	trans	-47.3	-42.6	175.3	-35.1	40.9	0	0	0	113.6	L144 Q436 M445 A446 R447	L144-P443 HydrophobicContact CD2-CG 4.42Å; Q436-P443 HydrophobicContact CB-CG 4.2Å; Q436-P443 WeakPolarHBondContact O-CD 3.24Å; Q436-P443 WeakPolarHBondContact O-CG 3.44Å; P443-M445 PolarHBondContact O-N 2.81Å; P443-M445 VanDerWaalsContact O-N 3.16Å; P443-A446 PolarHBondContact O-N 2.81Å; P443-R447 PolarHBondContact O-N 3.43Å
444	R	85.8	Confident	92.9	Very high	166 Å²	166	44.4 Å²	44.4	63%	0.626	24%	0.242	S	C	*	.	H	α-helix	trans	-64	-17	179.3	72.2	-178.3	68.7	-165	-3.3	115	L148 D442	L148-R444 HydrophobicContact CD2-CB 3.62Å; D442-R444 HydrophobicContact CB-CG 4.04Å; D442-R444 PolarHBondContact O-N 3.35Å; D442-R444 VanDerWaalsContact O-N 3.12Å
445	M	89.6	Confident	92.9	Very high	147 Å²	147	45.8 Å²	45.8	72%	0.724	25%	0.251	S	S	*	.	H	α-helix	trans	-107.8	-8.6	176.4	-59.7	-59.2	-178.9	0	0	112.2	T441 D442 P443	T441-M445 HydrophobicContact CG2-CB 3.73Å; D442-M445 WeakPolarHBondContact O-CA 3.24Å; D442-M445 PolarHBondContact O-N 3.35Å; P443-M445 PolarHBondContact O-N 2.81Å; P443-M445 VanDerWaalsContact O-N 3.16Å
446	A	90.6	Very high	92.9	Very high	30 Å²	30	45.3 Å²	45.3	25%	0.248	25%	0.248	C	C	.	.	H	α-helix	trans	-95.4	-21.2	-175.8	0	0	0	0	0	113.5	A403 T441 D442 P443	A403-A446 HydrophobicContact CB-CB 4.4Å; T441-A446 HydrophobicContact CG2-CB 4.16Å; D442-A446 PolarHBondContact O-N 2.76Å; D442-A446 VanDerWaalsContact O-N 3.13Å; P443-A446 PolarHBondContact O-N 2.81Å
447	R	91.5	Very high	93	Very high	39 Å²	39	49.6 Å²	49.6	15%	0.147	26%	0.264	C	S	.	.			trans	-152.3	165.4	-176.5	63.3	177.4	-178.6	-86.4	0.4	112.4	A406 P443 S449 P450 Y451	A406-R447 HydrophobicContact CB-CB 4.02Å; P443-R447 PolarHBondContact O-N 3.43Å; R447-S449 VanDerWaalsContact CD-O 3.29Å; R447-S449 WeakPolarHBondContact CD-O 3.35Å; R447-S449 WeakPolarHBondContact CG-O 3.36Å; R447-S449 PolarHBondContact NE-O 2.8Å; R447-P450 PolarHBondContact NE-O 3.3Å; R447-P450 PolarHBondContact NH2-O 3.29Å; R447-Y451 WeakPolarHBondContact CD-O 3.38Å; R447-Y451 VanDerWaalsContact NE-C 3.33Å
448	S	91.4	Very high	93	Very high	127 Å²	127	52.3 Å²	52.3	89%	0.888	28%	0.281	S	S	*	.	S	Bend	trans	-109.3	20.1	179.6	-57	0	0	0	0	113.6
449	S	89.4	Confident	93	Very high	33 Å²	33	52.5 Å²	52.5	23%	0.231	28%	0.278	C	S	.	.	S	Bend	trans	-138.3	160.4	-179.5	73.1	0	0	0	0	110.8	R447 Y451 D454	R447-S449 VanDerWaalsContact CD-O 3.29Å; R447-S449 WeakPolarHBondContact CD-O 3.35Å; R447-S449 WeakPolarHBondContact CG-O 3.36Å; R447-S449 PolarHBondContact NE-O 2.8Å; S449-Y451 PolarHBondContact O-N 3.47Å; S449-Y451 PolarHBondContact OG-O 3.26Å; S449-Y451 VanDerWaalsContact OG-O 3.07Å; S449-D454 WeakPolarHBondContact CB-OD2 3.49Å; S449-D454 WeakPolarHBondContact OG-CB 3.37Å; S449-D454 PolarHBondContact OG-OD2 3.06Å
450	P	86.2	Confident	93	Very high	38 Å²	38	50.1 Å²	50.1	25%	0.247	27%	0.27	C	S	.	.	S	Bend	trans	-56.5	-46.3	-176.8	-27.6	36.9	0	0	0	113	A146 R447 D454	A146-P450 WeakPolarHBondContact O-CB 3.18Å; R447-P450 PolarHBondContact NE-O 3.3Å; R447-P450 PolarHBondContact NH2-O 3.29Å; P450-D454 WeakPolarHBondContact CD-OD2 3.5Å
451	Y	93	Very high	93.1	Very high	13 Å²	13	47.3 Å²	47.3	5%	0.051	25%	0.253	C	S	.	.	S	Bend	trans	-112.3	146.2	-174.5	-56.4	-72.8	0	0	0	111.9	H133 E212 R447 S449 T453 D454 H465	H133-Y451 AromaticContact CE1-CE2 3.76Å; H133-Y451 AromaticContact ND1-CE2 3.44Å; H133-Y451 WeakPolarHBondContact ND1-CE2 3.43Å; H133-Y451 AromaticContact ND1-CZ 3.52Å; H133-Y451 PolarHBondContact ND1-OH 3.04Å; H133-Y451 PolarHBondContact O-OH 2.68Å; E212-Y451 WeakPolarHBondContact OE2-CD2 3.46Å; R447-Y451 WeakPolarHBondContact CD-O 3.38Å; R447-Y451 VanDerWaalsContact NE-C 3.33Å; S449-Y451 PolarHBondContact O-N 3.47Å; S449-Y451 PolarHBondContact OG-O 3.26Å; S449-Y451 VanDerWaalsContact OG-O 3.07Å; Y451-T453 WeakPolarHBondContact CB-OG1 3.5Å; Y451-T453 PolarHBondContact O-N 2.82Å; Y451-T453 VanDerWaalsContact O-N 3.13Å; Y451-D454 PolarHBondContact N-OD2 3.48Å; Y451-D454 PolarHBondContact O-N 2.89Å; Y451-D454 VanDerWaalsContact O-OD2 3.08Å; Y451-H465 AromaticContact CD1-CE1 3.43Å; Y451-H465 VanDerWaalsContact CD1-CE1 3.43Å; Y451-H465 WeakPolarHBondContact CD1-CE1 3.31Å; Y451-H465 AromaticContact CD1-ND1 3.77Å; Y451-H465 AromaticContact CD2-CE1 3.99Å; Y451-H465 AromaticContact CE1-CE1 3.97Å; Y451-H465 AromaticContact CG-CE1 3.44Å; Y451-H465 VanDerWaalsContact CG-CE1 3.44Å; Y451-H465 AromaticContact CG-NE2 3.94Å
452	P	95.3	Very high	93.3	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.013	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.8	172.8	28.4	-33.5	0	0	0	112.1	D402 F405 A406	D402-P452 HydrophobicContact CB-CB 3.9Å; D402-P452 HydrophobicContact CB-CG 3.95Å; D402-P452 WeakPolarHBondContact O-CB 3.45Å; F405-P452 WeakPolarHBondContact CD1-O 3.45Å; A406-P452 HydrophobicContact CB-CB 4.37Å
453	T	97.8	Very high	93.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-3	-174.8	49.7	0	0	0	0	115.5	F405 V432 Y451 V455 A456 I463 H465 V493 D495	F405-T453 HydrophobicContact CD1-CG2 4.29Å; F405-T453 HydrophobicContact CE1-CG2 4.04Å; V432-T453 HydrophobicContact CB-CG2 4.38Å; V432-T453 HydrophobicContact CG2-CG2 3.94Å; Y451-T453 WeakPolarHBondContact CB-OG1 3.5Å; Y451-T453 PolarHBondContact O-N 2.82Å; Y451-T453 VanDerWaalsContact O-N 3.13Å; T453-V455 PolarHBondContact O-N 3.12Å; T453-A456 WeakPolarHBondContact O-CB 3.35Å; T453-A456 PolarHBondContact O-N 3.49Å; T453-I463 HydrophobicContact CG2-CG2 4.28Å; T453-I463 WeakPolarHBondContact OG1-CG2 3.26Å; T453-H465 PolarHBondContact OG1-CE1 3.48Å; T453-H465 VanDerWaalsContact OG1-CE1 3.32Å; T453-V493 HydrophobicContact CG2-CG1 3.56Å; T453-D495 HydrophobicContact CG2-CB 3.89Å
454	D	96.4	Very high	94.1	Very high	22 Å²	22	41.7 Å²	41.7	12%	0.118	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-61.9	-20.8	-174.2	-71.4	-37.3	0	0	0	113.9	S449 P450 Y451 A456 R457	S449-D454 WeakPolarHBondContact CB-OD2 3.49Å; S449-D454 WeakPolarHBondContact OG-CB 3.37Å; S449-D454 PolarHBondContact OG-OD2 3.06Å; P450-D454 WeakPolarHBondContact CD-OD2 3.5Å; Y451-D454 PolarHBondContact N-OD2 3.48Å; Y451-D454 PolarHBondContact O-N 2.89Å; Y451-D454 VanDerWaalsContact O-OD2 3.08Å; D454-A456 PolarHBondContact O-N 3.06Å; D454-R457 WeakPolarHBondContact O-CB 3.33Å; D454-R457 WeakPolarHBondContact O-CG 3.5Å; D454-R457 PolarHBondContact O-N 3.33Å; D454-R457 VanDerWaalsContact O-N 3.16Å; D454-R457 IonicContact OD1-CZ 3.63Å; D454-R457 IonicContact OD1-NE 3.57Å; D454-R457 PolarHBondContact OD1-NE 3.22Å; D454-R457 IonicContact OD1-NH2 3.59Å; D454-R457 PolarHBondContact OD1-NH2 2.65Å
455	V	97.1	Very high	94.7	Very high	35 Å²	35	33.8 Å²	33.8	21%	0.212	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-56.5	-32	171.9	67.2	0	0	0	0	112.5	F405 V411 F415 T453 R457 V458	F405-V455 HydrophobicContact CD1-CG1 3.96Å; F405-V455 HydrophobicContact CE1-CG1 3.68Å; F405-V455 HydrophobicContact CZ-CG1 4.06Å; V411-V455 HydrophobicContact CG1-CG1 3.92Å; V411-V455 HydrophobicContact CG1-CG2 4.39Å; F415-V455 HydrophobicContact CD2-CG1 4.47Å; F415-V455 HydrophobicContact CE2-CG1 4.16Å; T453-V455 PolarHBondContact O-N 3.12Å; V455-R457 PolarHBondContact O-N 3.37Å; V455-V458 WeakPolarHBondContact O-CG1 2.92Å; V455-V458 PolarHBondContact O-N 2.77Å
456	A	97.4	Very high	95.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-69.7	-17.6	-178.2	0	0	0	0	0	113.5	F415 T453 D454 V458 V459 A461 I463 V493	F415-A456 HydrophobicContact CE1-CB 4.15Å; F415-A456 HydrophobicContact CE2-CB 4.14Å; F415-A456 HydrophobicContact CZ-CB 3.79Å; T453-A456 WeakPolarHBondContact O-CB 3.35Å; T453-A456 PolarHBondContact O-N 3.49Å; D454-A456 PolarHBondContact O-N 3.06Å; A456-V458 PolarHBondContact O-N 3.25Å; A456-V459 PolarHBondContact O-N 3.4Å; A456-A461 HydrophobicContact CB-CB 4.29Å; A456-A461 PolarHBondContact O-N 3.23Å; A456-I463 HydrophobicContact CB-CD1 4.41Å; A456-I463 HydrophobicContact CB-CG1 4.45Å; A456-V493 HydrophobicContact CB-CG2 3.47Å; A456-V493 VanDerWaalsContact CB-CG2 3.47Å
457	R	95.6	Very high	95.5	Very high	90 Å²	90	26 Å²	26	34%	0.34	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-63.6	-21.1	176.6	-59.9	-175.5	-166.1	-148.7	6.7	112.4	E212 F215 D454 V455 V459 N460 I463	E212-R457 VanDerWaalsContact CD-NH2 3.34Å; E212-R457 IonicContact OE1-CZ 3.96Å; E212-R457 IonicContact OE1-NH1 3.7Å; E212-R457 IonicContact OE1-NH2 2.72Å; E212-R457 PolarHBondContact OE1-NH2 3.19Å; E212-R457 IonicContact OE2-CZ 2.68Å; E212-R457 IonicContact OE2-NH2 3.77Å; E212-R457 PolarHBondContact OE2-NH2 3.4Å; F215-R457 HydrophobicContact CD1-CG 4.37Å; F215-R457 HydrophobicContact CE1-CG 4.03Å; F215-R457 HydrophobicContact CE2-CG 4.44Å; F215-R457 HydrophobicContact CZ-CG 4.09Å; D454-R457 WeakPolarHBondContact O-CB 3.33Å; D454-R457 WeakPolarHBondContact O-CG 3.5Å; D454-R457 PolarHBondContact O-N 3.33Å; D454-R457 VanDerWaalsContact O-N 3.16Å; D454-R457 IonicContact OD1-CZ 3.63Å; D454-R457 IonicContact OD1-NE 3.57Å; D454-R457 PolarHBondContact OD1-NE 3.22Å; D454-R457 IonicContact OD1-NH2 3.59Å; D454-R457 PolarHBondContact OD1-NH2 2.65Å; V455-R457 PolarHBondContact O-N 3.37Å; R457-V459 PolarHBondContact O-N 3.23Å; R457-V459 VanDerWaalsContact O-N 3.16Å; R457-N460 PolarHBondContact O-N 3.45Å; R457-I463 HydrophobicContact CG-CD1 4.11Å
458	V	95	Very high	95.8	Very high	61 Å²	61	24.2 Å²	24.2	37%	0.37	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-55.5	-32.6	177.3	69.4	0	0	0	0	112.8	Y412 F415 V455 A456	Y412-V458 HydrophobicContact CD2-CB 4.33Å; Y412-V458 HydrophobicContact CD2-CG1 4.23Å; Y412-V458 HydrophobicContact CD2-CG2 4.09Å; Y412-V458 HydrophobicContact CE2-CB 4.12Å; Y412-V458 HydrophobicContact CE2-CG1 4.36Å; Y412-V458 HydrophobicContact CE2-CG2 3.42Å; Y412-V458 VanDerWaalsContact CE2-CG2 3.42Å; F415-V458 HydrophobicContact CB-CG1 3.97Å; V455-V458 WeakPolarHBondContact O-CG1 2.92Å; V455-V458 PolarHBondContact O-N 2.77Å; A456-V458 PolarHBondContact O-N 3.25Å
459	V	94.9	Very high	96	Very high	22 Å²	22	19.2 Å²	19.2	13%	0.133	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-109.8	12.7	178.1	-66.1	0	0	0	0	113.5	F415 A456 R457 A461	F415-V459 HydrophobicContact CB-CG1 4.41Å; F415-V459 HydrophobicContact CB-CG2 4.35Å; F415-V459 HydrophobicContact CD1-CG2 3.72Å; F415-V459 HydrophobicContact CE1-CG2 4.48Å; F415-V459 HydrophobicContact CG-CG2 4.36Å; F415-V459 WeakPolarHBondContact O-CG1 3.46Å; A456-V459 PolarHBondContact O-N 3.4Å; R457-V459 PolarHBondContact O-N 3.23Å; R457-V459 VanDerWaalsContact O-N 3.16Å; V459-A461 HydrophobicContact CG2-CB 4.13Å; V459-A461 PolarHBondContact O-N 3.36Å
460	N	95.6	Very high	96.4	Very high	49 Å²	49	19.1 Å²	19.1	26%	0.262	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	36.2	-174.5	-54.2	-62.6	0	0	0	113.3	F215 I216 R457	F215-N460 HydrophobicContact CD2-CB 4.39Å; F215-N460 HydrophobicContact CE2-CB 4.5Å; F215-N460 PolarHBondContact O-OD1 3.31Å; I216-N460 HydrophobicContact CG1-CB 4.37Å; R457-N460 PolarHBondContact O-N 3.45Å
461	A	97.7	Very high	96.9	Very high	2 Å²	2	17.6 Å²	17.6	2%	0.017	9%	0.091	C	C	.	.			trans	-71.2	130.3	171.9	0	0	0	0	0	109.4	F215 A456 V459 D491	F215-A461 WeakPolarHBondContact CE2-O 3.47Å; F215-A461 VanDerWaalsContact CZ-O 3.24Å; F215-A461 WeakPolarHBondContact CZ-O 3.4Å; A456-A461 HydrophobicContact CB-CB 4.29Å; A456-A461 PolarHBondContact O-N 3.23Å; V459-A461 HydrophobicContact CG2-CB 4.13Å; V459-A461 PolarHBondContact O-N 3.36Å; A461-D491 HydrophobicContact CB-CB 4.01Å; A461-D491 WeakPolarHBondContact CB-O 3.28Å
462	P	98.4	Very high	97.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.093	C	C	.	.			trans	-63.4	145.8	173.5	24.4	-31.8	0	0	0	110.8	I216 I225 F464 W484 D491 V492 V493	I216-P462 HydrophobicContact CD1-CB 3.91Å; I216-P462 HydrophobicContact CD1-CG 4.32Å; I225-P462 HydrophobicContact CD1-CB 3.75Å; I225-P462 HydrophobicContact CD1-CG 4.28Å; P462-F464 HydrophobicContact CB-CE1 4.09Å; P462-F464 HydrophobicContact CB-CZ 4.05Å; P462-F464 HydrophobicContact CG-CZ 4.38Å; P462-W484 VanDerWaalsContact CD-CE2 3.49Å; P462-W484 HydrophobicContact CG-CD2 3.66Å; P462-W484 HydrophobicContact CG-CE3 4.08Å; P462-W484 HydrophobicContact CG-CG 4.21Å; P462-W484 HydrophobicContact CG-CH2 3.91Å; P462-W484 HydrophobicContact CG-CZ2 3.49Å; P462-W484 VanDerWaalsContact CG-CZ2 3.49Å; P462-W484 HydrophobicContact CG-CZ3 4.2Å; P462-D491 WeakPolarHBondContact CD-O 3.44Å; P462-V492 HydrophobicContact CG-CB 4.21Å; P462-V492 HydrophobicContact CG-CG2 4.02Å; P462-V493 PolarHBondContact O-N 3.49Å
463	I	98.7	Very high	97.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.5	-179.1	-52.8	167.6	0	0	0	108.2	E212 F215 T453 A456 R457 H465 V493	E212-I463 HydrophobicContact CB-CB 4.2Å; E212-I463 PolarHBondContact N-O 3.14Å; E212-I463 PolarHBondContact O-N 3.44Å; F215-I463 HydrophobicContact CE1-CD1 4.48Å; F215-I463 HydrophobicContact CZ-CD1 4.3Å; F215-I463 HydrophobicContact CZ-CG1 4.36Å; T453-I463 HydrophobicContact CG2-CG2 4.28Å; T453-I463 WeakPolarHBondContact OG1-CG2 3.26Å; A456-I463 HydrophobicContact CB-CD1 4.41Å; A456-I463 HydrophobicContact CB-CG1 4.45Å; R457-I463 HydrophobicContact CG-CD1 4.11Å; I463-H465 VanDerWaalsContact CG2-CE1 3.48Å; I463-H465 WeakPolarHBondContact CG2-CE1 3.48Å; I463-H465 WeakPolarHBondContact CG2-NE2 3.46Å; I463-V493 HydrophobicContact CG1-CB 4.29Å; I463-V493 HydrophobicContact CG2-CB 4.34Å
464	F	98.7	Very high	97.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	107.2	176.2	-52.7	-41.9	0	0	0	109	L211 I225 F229 P462 V477 V480 A481 V492 V493 V494 D495	L211-F464 HydrophobicContact CD2-CD1 3.55Å; L211-F464 HydrophobicContact CD2-CE1 4.1Å; L211-F464 HydrophobicContact CD2-CG 4.42Å; I225-F464 HydrophobicContact CG2-CE1 4.3Å; F229-F464 HydrophobicContact CE2-CD1 4.11Å; F229-F464 AromaticContact CE2-CE1 3.65Å; F229-F464 HydrophobicContact CE2-CE1 3.65Å; F229-F464 AromaticContact CE2-CZ 3.89Å; F229-F464 HydrophobicContact CE2-CZ 3.89Å; F229-F464 HydrophobicContact CZ-CD1 4.04Å; F229-F464 HydrophobicContact CZ-CE1 4.01Å; F229-F464 HydrophobicContact CZ-CE2 4.47Å; F229-F464 HydrophobicContact CZ-CG 4.31Å; F229-F464 HydrophobicContact CZ-CZ 4.24Å; P462-F464 HydrophobicContact CB-CE1 4.09Å; P462-F464 HydrophobicContact CB-CZ 4.05Å; P462-F464 HydrophobicContact CG-CZ 4.38Å; F464-V477 HydrophobicContact CB-CG1 3.43Å; F464-V477 VanDerWaalsContact CB-CG1 3.43Å; F464-V477 HydrophobicContact CD2-CG1 3.96Å; F464-V477 HydrophobicContact CG-CG1 4.06Å; F464-V480 HydrophobicContact CE2-CG1 4.17Å; F464-V480 HydrophobicContact CZ-CG1 4.25Å; F464-A481 HydrophobicContact CD2-CB 4.49Å; F464-A481 HydrophobicContact CE2-CB 4.49Å; F464-V492 HydrophobicContact CD2-CG2 3.87Å; F464-V492 HydrophobicContact CE2-CG2 3.57Å; F464-V492 HydrophobicContact CZ-CG2 4.38Å; F464-V493 PolarHBondContact N-O 2.87Å; F464-V494 WeakPolarHBondContact O-CA 3.47Å; F464-D495 PolarHBondContact O-N 2.74Å
465	H	98.4	Very high	97.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	134.1	171.6	-49	-86.7	0	0	0	109.3	L138 I209 G210 E212 Y451 T453 I463 D495	L138-H465 HydrophobicContact CD1-CB 3.57Å; L138-H465 HydrophobicContact CD2-CB 3.73Å; L138-H465 WeakPolarHBondContact CD2-O 3.21Å; L138-H465 HydrophobicContact CG-CB 4.27Å; I209-H465 CarbonylContact C-O 3.32Å; I209-H465 WeakPolarHBondContact CA-O 3.38Å; G210-H465 PolarHBondContact N-O 3.34Å; G210-H465 PolarHBondContact O-N 2.83Å; E212-H465 IonicContact OE2-CE1 2.56Å; E212-H465 IonicContact OE2-NE2 3.93Å; E212-H465 PolarHBondContact OE2-NE2 3.28Å; E212-H465 VanDerWaalsContact OE2-NE2 3.12Å; Y451-H465 AromaticContact CD1-CE1 3.43Å; Y451-H465 VanDerWaalsContact CD1-CE1 3.43Å; Y451-H465 WeakPolarHBondContact CD1-CE1 3.31Å; Y451-H465 AromaticContact CD1-ND1 3.77Å; Y451-H465 AromaticContact CD2-CE1 3.99Å; Y451-H465 AromaticContact CE1-CE1 3.97Å; Y451-H465 AromaticContact CG-CE1 3.44Å; Y451-H465 VanDerWaalsContact CG-CE1 3.44Å; Y451-H465 AromaticContact CG-NE2 3.94Å; T453-H465 PolarHBondContact OG1-CE1 3.48Å; T453-H465 VanDerWaalsContact OG1-CE1 3.32Å; I463-H465 VanDerWaalsContact CG2-CE1 3.48Å; I463-H465 WeakPolarHBondContact CG2-CE1 3.48Å; I463-H465 WeakPolarHBondContact CG2-NE2 3.46Å; H465-D495 HydrophobicContact CB-CB 4.42Å; H465-D495 IonicContact CE1-OD2 3.29Å; H465-D495 IonicContact CG-OD2 2.67Å; H465-D495 WeakPolarHBondContact ND1-CB 3.41Å; H465-D495 IonicContact ND1-OD2 3.23Å; H465-D495 PolarHBondContact ND1-OD2 3.37Å
466	V	98.4	Very high	97.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	136	-178.6	62.2	0	0	0	0	111.3	H208 I209 A468 A473 V474 V477 V494 D495 L496 V497	H208-V466 WeakPolarHBondContact O-CA 3.47Å; I209-V466 HydrophobicContact CG1-CG2 4.23Å; V466-A468 PolarHBondContact O-N 3.4Å; V466-A473 HydrophobicContact CG2-CB 3.8Å; V466-V474 HydrophobicContact CB-CG2 4.46Å; V466-V474 HydrophobicContact CG1-CG2 3.96Å; V466-V474 HydrophobicContact CG2-CB 4.37Å; V466-V474 HydrophobicContact CG2-CG2 3.67Å; V466-V477 HydrophobicContact CB-CG2 4.28Å; V466-V477 HydrophobicContact CG2-CG2 4.33Å; V466-V494 HydrophobicContact CG1-CG1 4.21Å; V466-D495 PolarHBondContact N-O 2.86Å; V466-L496 HydrophobicContact CG1-CD2 3.61Å; V466-V497 PolarHBondContact O-N 3.25Å
467	N	98.1	Very high	97.6	Very high	12 Å²	12	16.9 Å²	16.9	6%	0.064	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	115.8	174.9	-168.6	-35.8	0	0	0	109.7	Q137 L138 H208 D469 D470	Q137-N467 PolarHBondContact O-ND2 2.88Å; L138-N467 WeakPolarHBondContact O-CA 3.29Å; L138-N467 VanDerWaalsContact O-CB 3.3Å; L138-N467 WeakPolarHBondContact O-CB 3.01Å; L138-N467 PolarHBondContact O-ND2 3.17Å; H208-N467 HydrophobicContact CB-CB 3.96Å; H208-N467 PolarHBondContact O-N 2.88Å; N467-D469 PolarHBondContact O-N 3.1Å; N467-D469 VanDerWaalsContact O-N 3.15Å; N467-D469 WeakPolarHBondContact OD1-CB 3.49Å; N467-D469 PolarHBondContact OD1-N 3.12Å; N467-D470 PolarHBondContact O-N 3.16Å
468	A	97.5	Very high	97.7	Very high	2 Å²	2	12.6 Å²	12.6	2%	0.017	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-14.8	-176.7	0	0	0	0	0	113.9	V276 V466 D470 V497 C498	V276-A468 HydrophobicContact CG1-CB 3.78Å; V276-A468 WeakPolarHBondContact CG1-O 3.49Å; V466-A468 PolarHBondContact O-N 3.4Å; A468-D470 VanDerWaalsContact C-N 3.31Å; A468-V497 WeakPolarHBondContact CB-O 3.35Å; A468-V497 PolarHBondContact N-O 3.31Å; A468-C498 HydrophobicContact CB-CB 3.54Å
469	D	96.4	Very high	97.9	Very high	22 Å²	22	10.6 Å²	10.6	12%	0.118	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-0.8	173.8	-85.1	-8.8	0	0	0	113.7	P140 N467 P471 K530	P140-D469 HydrophobicContact CB-CB 4.09Å; P140-D469 WeakPolarHBondContact CB-OD2 3.34Å; N467-D469 PolarHBondContact O-N 3.1Å; N467-D469 VanDerWaalsContact O-N 3.15Å; N467-D469 WeakPolarHBondContact OD1-CB 3.49Å; N467-D469 PolarHBondContact OD1-N 3.12Å; D469-P471 VanDerWaalsContact O-CD 3.31Å; D469-P471 WeakPolarHBondContact O-CD 3.42Å; D469-K530 IonicContact OD2-NZ 3.52Å; D469-K530 PolarHBondContact OD2-NZ 2.87Å
470	D	97.6	Very high	98	Very high	32 Å²	32	9.6 Å²	9.6	17%	0.171	5%	0.051	C	C	.	.			trans	-109.6	90.6	166.5	-171.6	-19.4	0	0	0	111.2	H208 N467 A468 E472 A473 V474	H208-D470 HydrophobicContact CB-CB 4.09Å; H208-D470 IonicContact CE1-OD2 3.7Å; H208-D470 IonicContact CG-OD2 2.77Å; H208-D470 WeakPolarHBondContact ND1-CB 3.12Å; H208-D470 IonicContact ND1-OD2 3.71Å; H208-D470 PolarHBondContact ND1-OD2 3.04Å; N467-D470 PolarHBondContact O-N 3.16Å; A468-D470 VanDerWaalsContact C-N 3.31Å; D470-E472 VanDerWaalsContact C-N 3.27Å; D470-E472 PolarHBondContact O-N 2.69Å; D470-E472 PolarHBondContact OD1-N 3.39Å; D470-E472 VanDerWaalsContact OD1-N 3.15Å; D470-A473 HydrophobicContact CB-CB 3.86Å; D470-A473 PolarHBondContact O-N 3.3Å; D470-A473 PolarHBondContact OD1-N 3.38Å; D470-A473 VanDerWaalsContact OD1-N 3.12Å; D470-V474 WeakPolarHBondContact O-CG2 3.31Å; D470-V474 PolarHBondContact O-N 3.42Å; D470-V474 VanDerWaalsContact O-N 3.12Å
471	P	97.7	Very high	98.2	Very high	5 Å²	5	7.3 Å²	7.3	3%	0.032	4%	0.039	C	C	.	.	H	α-helix	trans	-60.1	-33	-177.9	-28.1	37.3	0	0	0	114.7	L245 L249 V276 D469 M475 V527 Y531	L245-P471 HydrophobicContact CD1-CB 4.21Å; L245-P471 HydrophobicContact CD2-CB 3.69Å; L245-P471 HydrophobicContact CG-CB 4.14Å; L249-P471 HydrophobicContact CD1-CB 3.97Å; L249-P471 HydrophobicContact CD1-CG 3.82Å; V276-P471 HydrophobicContact CG2-CB 4.15Å; V276-P471 HydrophobicContact CG2-CG 4.49Å; D469-P471 VanDerWaalsContact O-CD 3.31Å; D469-P471 WeakPolarHBondContact O-CD 3.42Å; P471-M475 VanDerWaalsContact O-CG 3.31Å; P471-M475 WeakPolarHBondContact O-CG 3.17Å; P471-M475 PolarHBondContact O-N 3.13Å; P471-V527 HydrophobicContact CG-CG2 3.58Å; P471-Y531 HydrophobicContact CB-CD2 4.32Å; P471-Y531 HydrophobicContact CB-CG 4.48Å; P471-Y531 HydrophobicContact CG-CD2 4.13Å; P471-Y531 HydrophobicContact CG-CG 4.11Å
472	E	97.8	Very high	98.3	Very high	19 Å²	19	7.2 Å²	7.2	9%	0.089	4%	0.038	C	C	.	.	H	α-helix	trans	-70	-45	-179.6	-78.2	173.8	-147.5	0	0	110.1	M235 F237 L245 D470 V474 M475 Y476 Y531 K534	M235-E472 VanDerWaalsContact CE-C 3.49Å; M235-E472 HydrophobicContact CE-CB 4.33Å; M235-E472 WeakPolarHBondContact CE-O 3.49Å; F237-E472 HydrophobicContact CD2-CB 3.89Å; F237-E472 HydrophobicContact CD2-CG 3.77Å; F237-E472 HydrophobicContact CE2-CB 3.61Å; F237-E472 HydrophobicContact CE2-CG 3.97Å; F237-E472 WeakPolarHBondContact CE2-O 3.4Å; F237-E472 HydrophobicContact CG-CG 4.2Å; F237-E472 HydrophobicContact CZ-CB 4.2Å; F237-E472 WeakPolarHBondContact CZ-O 3.29Å; L245-E472 HydrophobicContact CD2-CG 4.32Å; D470-E472 VanDerWaalsContact C-N 3.27Å; D470-E472 PolarHBondContact O-N 2.69Å; D470-E472 PolarHBondContact OD1-N 3.39Å; D470-E472 VanDerWaalsContact OD1-N 3.15Å; E472-V474 VanDerWaalsContact C-N 3.32Å; E472-V474 PolarHBondContact O-N 3.49Å; E472-M475 PolarHBondContact O-N 3.13Å; E472-Y476 PolarHBondContact O-N 3.06Å; E472-Y531 HydrophobicContact CG-CE2 3.97Å; E472-Y531 WeakPolarHBondContact OE1-CE2 3.26Å; E472-K534 IonicContact OE1-NZ 3.8Å; E472-K534 PolarHBondContact OE1-NZ 3Å; E472-K534 IonicContact OE2-NZ 3.05Å; E472-K534 PolarHBondContact OE2-NZ 2.84Å
473	A	98.1	Very high	98.3	Very high	2 Å²	2	9.4 Å²	9.4	2%	0.017	5%	0.048	C	C	.	.	H	α-helix	trans	-54.9	-46.7	172.8	0	0	0	0	0	112.1	H208 I209 M235 V466 D470 M475 Y476 V477	H208-A473 HydrophobicContact CB-CB 4.32Å; I209-A473 HydrophobicContact CD1-CB 4.07Å; I209-A473 HydrophobicContact CG1-CB 3.94Å; M235-A473 HydrophobicContact CE-CB 4.2Å; V466-A473 HydrophobicContact CG2-CB 3.8Å; D470-A473 HydrophobicContact CB-CB 3.86Å; D470-A473 PolarHBondContact O-N 3.3Å; D470-A473 PolarHBondContact OD1-N 3.38Å; D470-A473 VanDerWaalsContact OD1-N 3.12Å; A473-M475 PolarHBondContact O-N 2.79Å; A473-Y476 PolarHBondContact O-N 2.73Å; A473-V477 WeakPolarHBondContact O-CG2 3.39Å; A473-V477 PolarHBondContact O-N 3.41Å
474	V	98.6	Very high	98.3	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-61.5	-45.2	178	-179.5	0	0	0	0	111.3	V276 A280 V466 D470 E472 Y476 V477 C478 L496	V276-V474 HydrophobicContact CG1-CG1 4.4Å; V276-V474 HydrophobicContact CG1-CG2 4.22Å; V276-V474 HydrophobicContact CG2-CB 3.93Å; V276-V474 HydrophobicContact CG2-CG1 3.98Å; V276-V474 HydrophobicContact CG2-CG2 4.02Å; A280-V474 HydrophobicContact CB-CG1 3.76Å; V466-V474 HydrophobicContact CB-CG2 4.46Å; V466-V474 HydrophobicContact CG1-CG2 3.96Å; V466-V474 HydrophobicContact CG2-CB 4.37Å; V466-V474 HydrophobicContact CG2-CG2 3.67Å; D470-V474 WeakPolarHBondContact O-CG2 3.31Å; D470-V474 PolarHBondContact O-N 3.42Å; D470-V474 VanDerWaalsContact O-N 3.12Å; E472-V474 VanDerWaalsContact C-N 3.32Å; E472-V474 PolarHBondContact O-N 3.49Å; V474-Y476 VanDerWaalsContact C-N 3.3Å; V474-Y476 PolarHBondContact O-N 3.07Å; V474-V477 PolarHBondContact O-N 3.17Å; V474-C478 VanDerWaalsContact O-CB 3.29Å; V474-C478 WeakPolarHBondContact O-CB 3.28Å; V474-C478 PolarHBondContact O-N 3.13Å; V474-C478 PolarHBondContact O-SG 3.33Å; V474-L496 HydrophobicContact CG1-CD2 3.7Å; V474-L496 HydrophobicContact CG2-CD2 4.34Å
475	M	98.4	Very high	98.2	Very high	8 Å²	8	9.5 Å²	9.5	4%	0.039	5%	0.049	C	C	.	.	H	α-helix	trans	-62.5	-39.2	179.3	-68.3	-44.1	85.4	0	0	112.1	F237 L245 V276 P279 A280 T283 P471 E472 A473 S479	F237-M475 HydrophobicContact CE1-CB 3.86Å; F237-M475 HydrophobicContact CZ-CB 3.89Å; L245-M475 HydrophobicContact CD1-CE 4.29Å; L245-M475 HydrophobicContact CD1-CG 3.76Å; L245-M475 HydrophobicContact CD1-SD 3.77Å; L245-M475 HydrophobicContact CD2-CG 3.68Å; L245-M475 HydrophobicContact CG-CG 4.29Å; V276-M475 HydrophobicContact CG2-CE 4.19Å; P279-M475 HydrophobicContact CB-CE 3.96Å; P279-M475 HydrophobicContact CB-SD 3.79Å; P279-M475 HydrophobicContact CG-CE 4.36Å; A280-M475 HydrophobicContact CB-CE 4.03Å; T283-M475 WeakPolarHBondContact CG2-O 3.28Å; T283-M475 HydrophobicContact CG2-SD 4.42Å; T283-M475 PolarHBondContact OG1-SD 3.4Å; P471-M475 VanDerWaalsContact O-CG 3.31Å; P471-M475 WeakPolarHBondContact O-CG 3.17Å; P471-M475 PolarHBondContact O-N 3.13Å; E472-M475 PolarHBondContact O-N 3.13Å; A473-M475 PolarHBondContact O-N 2.79Å; M475-S479 WeakPolarHBondContact O-CB 3.48Å; M475-S479 PolarHBondContact O-N 3.31Å; M475-S479 PolarHBondContact O-OG 2.94Å
476	Y	98.5	Very high	98.1	Very high	29 Å²	29	10.6 Å²	10.6	11%	0.114	6%	0.055	C	C	.	.	H	α-helix	trans	-65.4	-51.1	177.8	-177.3	-102.5	0	0	0	111.6	I209 K228 F229 V234 M235 E472 A473 V474 C478 S479 V480	I209-Y476 HydrophobicContact CD1-CD1 4.47Å; K228-Y476 PolarHBondContact O-OH 3.13Å; F229-Y476 HydrophobicContact CD1-CD1 4.4Å; F229-Y476 AromaticContact CD1-CE1 3.8Å; F229-Y476 HydrophobicContact CD1-CE1 3.8Å; F229-Y476 HydrophobicContact CE1-CD1 4.03Å; F229-Y476 AromaticContact CE1-CE1 3.72Å; F229-Y476 HydrophobicContact CE1-CE1 3.72Å; F229-Y476 HydrophobicContact CZ-CE1 4.47Å; V234-Y476 HydrophobicContact CB-CE1 4.5Å; V234-Y476 HydrophobicContact CB-CE2 3.9Å; V234-Y476 WeakPolarHBondContact CB-OH 3.32Å; V234-Y476 HydrophobicContact CG2-CE1 4.23Å; V234-Y476 HydrophobicContact CG2-CE2 4.45Å; V234-Y476 WeakPolarHBondContact O-CD2 3.39Å; V234-Y476 VanDerWaalsContact O-CE2 3.29Å; V234-Y476 WeakPolarHBondContact O-CE2 3.36Å; M235-Y476 HydrophobicContact CE-CG 4.34Å; M235-Y476 WeakPolarHBondContact SD-CB 3.47Å; M235-Y476 HydrophobicContact SD-CD1 3.38Å; M235-Y476 WeakPolarHBondContact SD-CD1 3.45Å; M235-Y476 HydrophobicContact SD-CD2 3.98Å; M235-Y476 HydrophobicContact SD-CE1 4.23Å; M235-Y476 HydrophobicContact SD-CG 3.24Å; E472-Y476 PolarHBondContact O-N 3.06Å; A473-Y476 PolarHBondContact O-N 2.73Å; V474-Y476 VanDerWaalsContact C-N 3.3Å; V474-Y476 PolarHBondContact O-N 3.07Å; Y476-C478 VanDerWaalsContact C-N 3.31Å; Y476-C478 PolarHBondContact O-N 3.17Å; Y476-S479 WeakPolarHBondContact O-CB 3.35Å; Y476-S479 PolarHBondContact O-N 3.03Å; Y476-V480 HydrophobicContact CD1-CG2 4.22Å; Y476-V480 HydrophobicContact CE1-CG2 3.7Å; Y476-V480 HydrophobicContact CE2-CG2 4.19Å; Y476-V480 WeakPolarHBondContact O-CG2 3.4Å; Y476-V480 PolarHBondContact O-N 2.96Å
477	V	98.6	Very high	98.1	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-56.4	-45	176.8	167.3	0	0	0	0	111.4	I209 F229 F464 V466 A473 V474 S479 V480 A481 V494	I209-V477 HydrophobicContact CD1-CG2 3.81Å; I209-V477 HydrophobicContact CG1-CG2 4Å; I209-V477 HydrophobicContact CG2-CG2 3.97Å; F229-V477 HydrophobicContact CE1-CG2 4.16Å; F464-V477 HydrophobicContact CB-CG1 3.43Å; F464-V477 VanDerWaalsContact CB-CG1 3.43Å; F464-V477 HydrophobicContact CD2-CG1 3.96Å; F464-V477 HydrophobicContact CG-CG1 4.06Å; V466-V477 HydrophobicContact CB-CG2 4.28Å; V466-V477 HydrophobicContact CG2-CG2 4.33Å; A473-V477 WeakPolarHBondContact O-CG2 3.39Å; A473-V477 PolarHBondContact O-N 3.41Å; V474-V477 PolarHBondContact O-N 3.17Å; V477-S479 VanDerWaalsContact C-N 3.31Å; V477-S479 PolarHBondContact O-N 3.05Å; V477-V480 PolarHBondContact O-N 3.3Å; V477-A481 WeakPolarHBondContact O-CB 3.44Å; V477-A481 PolarHBondContact O-N 3.04Å; V477-V494 HydrophobicContact CG1-CG1 3.88Å; V477-V494 HydrophobicContact CG1-CG2 4.06Å
478	C	98.8	Very high	98	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.9	-35.8	176.9	-77.5	0	0	0	0	113.3	T283 I284 V474 Y476 A482	T283-C478 HydrophobicContact CG2-CB 4.22Å; I284-C478 HydrophobicContact CD1-CB 4.34Å; I284-C478 HydrophobicContact CG1-CB 3.78Å; V474-C478 VanDerWaalsContact O-CB 3.29Å; V474-C478 WeakPolarHBondContact O-CB 3.28Å; V474-C478 PolarHBondContact O-N 3.13Å; V474-C478 PolarHBondContact O-SG 3.33Å; Y476-C478 VanDerWaalsContact C-N 3.31Å; Y476-C478 PolarHBondContact O-N 3.17Å; C478-A482 PolarHBondContact O-N 3.31Å; C478-A482 VanDerWaalsContact O-N 3.11Å
479	S	98.4	Very high	98	Very high	18 Å²	18	16.7 Å²	16.7	13%	0.126	9%	0.087	C	C	.	.	H	α-helix	trans	-66.8	-45.9	174.5	-57.9	0	0	0	0	110.7	T283 M475 Y476 V477 A481 A482 E483	T283-S479 VanDerWaalsContact CG2-OG 3.26Å; T283-S479 WeakPolarHBondContact CG2-OG 3.48Å; M475-S479 WeakPolarHBondContact O-CB 3.48Å; M475-S479 PolarHBondContact O-N 3.31Å; M475-S479 PolarHBondContact O-OG 2.94Å; Y476-S479 WeakPolarHBondContact O-CB 3.35Å; Y476-S479 PolarHBondContact O-N 3.03Å; V477-S479 VanDerWaalsContact C-N 3.31Å; V477-S479 PolarHBondContact O-N 3.05Å; S479-A481 VanDerWaalsContact C-N 3.33Å; S479-A481 PolarHBondContact O-N 2.73Å; S479-A482 PolarHBondContact O-N 2.9Å; S479-E483 WeakPolarHBondContact O-CG 3.47Å; S479-E483 PolarHBondContact O-N 2.91Å
480	V	98.8	Very high	98	Very high	2 Å²	2	18 Å²	18	1%	0.012	9%	0.092	C	C	.	.	H	α-helix	trans	-63.1	-38.6	176.6	177.6	0	0	0	0	111.5	W224 K228 F229 F464 Y476 V477 E483 W484	W224-V480 HydrophobicContact CH2-CG1 3.8Å; W224-V480 HydrophobicContact CZ3-CG1 3.69Å; K228-V480 HydrophobicContact CB-CG1 4.19Å; K228-V480 HydrophobicContact CB-CG2 4.36Å; K228-V480 HydrophobicContact CG-CG1 4.23Å; F229-V480 HydrophobicContact CE2-CB 4.48Å; F229-V480 HydrophobicContact CE2-CG1 3.73Å; F229-V480 HydrophobicContact CZ-CB 4.15Å; F229-V480 HydrophobicContact CZ-CG1 3.88Å; F229-V480 HydrophobicContact CZ-CG2 4.26Å; F464-V480 HydrophobicContact CE2-CG1 4.17Å; F464-V480 HydrophobicContact CZ-CG1 4.25Å; Y476-V480 HydrophobicContact CD1-CG2 4.22Å; Y476-V480 HydrophobicContact CE1-CG2 3.7Å; Y476-V480 HydrophobicContact CE2-CG2 4.19Å; Y476-V480 WeakPolarHBondContact O-CG2 3.4Å; Y476-V480 PolarHBondContact O-N 2.96Å; V477-V480 PolarHBondContact O-N 3.3Å; V480-E483 PolarHBondContact O-N 3.05Å; V480-W484 WeakPolarHBondContact O-CB 3.35Å; V480-W484 PolarHBondContact O-N 3.03Å
481	A	98.8	Very high	98.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63	-42.4	175.5	0	0	0	0	0	112.3	I429 F464 V477 S479 W484 R485 V492 V494	I429-A481 HydrophobicContact CG2-CB 4.39Å; F464-A481 HydrophobicContact CD2-CB 4.49Å; F464-A481 HydrophobicContact CE2-CB 4.49Å; V477-A481 WeakPolarHBondContact O-CB 3.44Å; V477-A481 PolarHBondContact O-N 3.04Å; S479-A481 VanDerWaalsContact C-N 3.33Å; S479-A481 PolarHBondContact O-N 2.73Å; A481-W484 PolarHBondContact O-N 3.23Å; A481-R485 PolarHBondContact O-N 2.56Å; A481-V492 HydrophobicContact CB-CG1 3.97Å; A481-V492 HydrophobicContact CB-CG2 3.97Å; A481-V494 HydrophobicContact CB-CG2 3.71Å
482	A	98.7	Very high	98.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.4	-44.2	173.7	0	0	0	0	0	111.8	K287 I429 C478 S479 N486	K287-A482 HydrophobicContact CB-CB 3.83Å; I429-A482 HydrophobicContact CD1-CB 4.33Å; C478-A482 PolarHBondContact O-N 3.31Å; C478-A482 VanDerWaalsContact O-N 3.11Å; S479-A482 PolarHBondContact O-N 2.9Å; A482-N486 WeakPolarHBondContact O-CB 3.28Å; A482-N486 PolarHBondContact O-N 3.05Å
483	E	98.6	Very high	98.2	Very high	46 Å²	46	15.7 Å²	15.7	22%	0.215	8%	0.08	C	C	.	.	H	α-helix	trans	-65.3	-40.7	176.9	-69.8	175.6	-167.4	0	0	112.5	W224 K228 M291 S479 V480 N486 T487	W224-E483 HydrophobicContact CH2-CB 3.93Å; W224-E483 HydrophobicContact CZ2-CB 3.89Å; K228-E483 VanDerWaalsContact CE-OE2 3.22Å; K228-E483 WeakPolarHBondContact CE-OE2 3.12Å; K228-E483 IonicContact NZ-OE2 3.27Å; K228-E483 PolarHBondContact NZ-OE2 3.1Å; M291-E483 HydrophobicContact CE-CB 4.41Å; M291-E483 HydrophobicContact CE-CG 4.24Å; M291-E483 HydrophobicContact SD-CG 4.16Å; S479-E483 WeakPolarHBondContact O-CG 3.47Å; S479-E483 PolarHBondContact O-N 2.91Å; V480-E483 PolarHBondContact O-N 3.05Å; E483-N486 PolarHBondContact O-N 3.16Å; E483-T487 WeakPolarHBondContact O-CB 3.29Å; E483-T487 PolarHBondContact O-N 2.97Å; E483-T487 PolarHBondContact O-OG1 3.09Å
484	W	98.6	Very high	98.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-58.3	-54.8	175.9	167.9	-88.1	0	0	0	110.6	I216 Q221 W224 I225 P462 V480 A481 N486 T487 F488 K490 D491 V492	I216-W484 HydrophobicContact CD1-CH2 3.97Å; Q221-W484 HydrophobicContact CB-CH2 3.7Å; Q221-W484 HydrophobicContact CB-CZ3 3.9Å; Q221-W484 HydrophobicContact CG-CH2 3.71Å; Q221-W484 HydrophobicContact CG-CZ3 4.06Å; W224-W484 AromaticContact CE3-CE3 3.94Å; W224-W484 HydrophobicContact CE3-CE3 3.94Å; W224-W484 HydrophobicContact CH2-CB 4.05Å; W224-W484 HydrophobicContact CZ3-CB 4.06Å; W224-W484 AromaticContact CZ3-CE3 3.98Å; W224-W484 HydrophobicContact CZ3-CE3 3.98Å; I225-W484 HydrophobicContact CD1-CE3 4.13Å; I225-W484 HydrophobicContact CD1-CH2 4.25Å; I225-W484 HydrophobicContact CD1-CZ3 3.64Å; I225-W484 HydrophobicContact CG1-CE3 4.11Å; I225-W484 HydrophobicContact CG1-CZ3 3.89Å; P462-W484 VanDerWaalsContact CD-CE2 3.49Å; P462-W484 HydrophobicContact CG-CD2 3.66Å; P462-W484 HydrophobicContact CG-CE3 4.08Å; P462-W484 HydrophobicContact CG-CG 4.21Å; P462-W484 HydrophobicContact CG-CH2 3.91Å; P462-W484 HydrophobicContact CG-CZ2 3.49Å; P462-W484 VanDerWaalsContact CG-CZ2 3.49Å; P462-W484 HydrophobicContact CG-CZ3 4.2Å; V480-W484 WeakPolarHBondContact O-CB 3.35Å; V480-W484 PolarHBondContact O-N 3.03Å; A481-W484 PolarHBondContact O-N 3.23Å; W484-N486 VanDerWaalsContact C-N 3.26Å; W484-N486 PolarHBondContact O-N 3Å; W484-T487 PolarHBondContact O-N 3.18Å; W484-F488 AromaticContact CD2-CD2 3.65Å; W484-F488 HydrophobicContact CD2-CD2 3.65Å; W484-F488 HydrophobicContact CD2-CE2 4.32Å; W484-F488 AromaticContact CE3-CD2 3.31Å; W484-F488 HydrophobicContact CE3-CD2 3.31Å; W484-F488 AromaticContact CE3-CE2 3.53Å; W484-F488 HydrophobicContact CE3-CE2 3.53Å; W484-F488 HydrophobicContact CE3-CG 4.38Å; W484-F488 HydrophobicContact CG-CD2 4.34Å; W484-F488 HydrophobicContact CH2-CD2 4.06Å; W484-F488 HydrophobicContact CH2-CE2 4.45Å; W484-F488 HydrophobicContact CH2-CG 4.47Å; W484-F488 HydrophobicContact CZ2-CB 4.48Å; W484-F488 HydrophobicContact CZ2-CD2 4.33Å; W484-F488 AromaticContact CZ3-CD2 3.54Å; W484-F488 HydrophobicContact CZ3-CD2 3.54Å; W484-F488 AromaticContact CZ3-CE2 3.61Å; W484-F488 HydrophobicContact CZ3-CE2 3.61Å; W484-F488 HydrophobicContact CZ3-CG 4.35Å; W484-F488 HydrophobicContact CZ3-CZ 4.48Å; W484-F488 PolarHBondContact O-N 3.08Å; W484-K490 HydrophobicContact CZ2-CB 4.33Å; W484-K490 PolarHBondContact NE1-O 3.12Å; W484-D491 PolarHBondContact NE1-O 2.81Å; W484-V492 VanDerWaalsContact CD1-CB 3.5Å; W484-V492 HydrophobicContact CG-CB 4.23Å
485	R	97.9	Very high	98.2	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.008	8%	0.079	C	C	.	.	H	α-helix	trans	-58.9	-42.5	-178.6	-175.7	-89.1	177.1	-167.8	-4.2	110.5	I293 G391 V394 M395 T425 N426 G427 I429 A481 N489 V492	I293-R485 VanDerWaalsContact CD1-NH1 3.3Å; G391-R485 PolarHBondContact O-NH1 3.29Å; G391-R485 PolarHBondContact O-NH2 2.62Å; V394-R485 PolarHBondContact O-NH2 2.89Å; M395-R485 VanDerWaalsContact CB-NH2 3.3Å; T425-R485 PolarHBondContact O-NH2 3.31Å; N426-R485 PolarHBondContact O-NE 3.41Å; N426-R485 PolarHBondContact O-NH2 3.35Å; G427-R485 WeakPolarHBondContact O-CG 3.29Å; G427-R485 PolarHBondContact O-NE 2.7Å; I429-R485 HydrophobicContact CD1-CB 4.09Å; I429-R485 HydrophobicContact CG1-CB 3.88Å; I429-R485 HydrophobicContact CG1-CG 4.07Å; A481-R485 PolarHBondContact O-N 2.56Å; R485-N489 WeakPolarHBondContact O-CA 3.41Å; R485-N489 PolarHBondContact O-N 3.05Å; R485-V492 HydrophobicContact CB-CG1 4.43Å
486	N	96.8	Very high	98.2	Very high	24 Å²	24	15.2 Å²	15.2	13%	0.128	8%	0.077	C	C	.	.	H	α-helix	trans	-72.4	-29.6	178	-172.5	79.9	0	0	0	113.4	M291 K392 A482 E483 W484	M291-N486 HydrophobicContact CB-CB 4.45Å; M291-N486 HydrophobicContact CE-CB 3.58Å; M291-N486 WeakPolarHBondContact CE-ND2 3.46Å; M291-N486 HydrophobicContact SD-CB 3.59Å; M291-N486 VanDerWaalsContact SD-CB 3.59Å; K392-N486 PolarHBondContact NZ-O 3.23Å; A482-N486 WeakPolarHBondContact O-CB 3.28Å; A482-N486 PolarHBondContact O-N 3.05Å; E483-N486 PolarHBondContact O-N 3.16Å; W484-N486 VanDerWaalsContact C-N 3.26Å; W484-N486 PolarHBondContact O-N 3Å
487	T	97.1	Very high	98.2	Very high	65 Å²	65	14 Å²	14	40%	0.399	7%	0.073	S	C	.	.	H	α-helix	trans	-79.1	-49.9	-178.6	-58.5	0	0	0	0	111.1	E483 W484	E483-T487 WeakPolarHBondContact O-CB 3.29Å; E483-T487 PolarHBondContact O-N 2.97Å; E483-T487 PolarHBondContact O-OG1 3.09Å; W484-T487 PolarHBondContact O-N 3.18Å
488	F	97	Very high	98.1	Very high	45 Å²	45	14 Å²	14	20%	0.197	7%	0.073	C	C	.	.	H	α-helix	trans	-103.6	-10.2	-171.5	-60.8	-70.2	0	0	0	114.1	Q221 W224 W484 K490	Q221-F488 HydrophobicContact CB-CZ 4.48Å; Q221-F488 HydrophobicContact CG-CD1 3.57Å; Q221-F488 HydrophobicContact CG-CD2 4.34Å; Q221-F488 HydrophobicContact CG-CE1 3.5Å; Q221-F488 VanDerWaalsContact CG-CE1 3.5Å; Q221-F488 HydrophobicContact CG-CE2 4.28Å; Q221-F488 HydrophobicContact CG-CG 4Å; Q221-F488 HydrophobicContact CG-CZ 3.87Å; W224-F488 HydrophobicContact CB-CE2 4.06Å; W224-F488 HydrophobicContact CB-CZ 3.79Å; W224-F488 AromaticContact CD1-CZ 3.98Å; W224-F488 AromaticContact CD2-CE2 3.7Å; W224-F488 HydrophobicContact CD2-CE2 3.7Å; W224-F488 HydrophobicContact CD2-CZ 4.25Å; W224-F488 HydrophobicContact CE3-CE2 4.04Å; W224-F488 AromaticContact CG-CE2 3.71Å; W224-F488 HydrophobicContact CG-CE2 3.71Å; W224-F488 AromaticContact CG-CZ 3.74Å; W224-F488 HydrophobicContact CG-CZ 3.74Å; W484-F488 AromaticContact CD2-CD2 3.65Å; W484-F488 HydrophobicContact CD2-CD2 3.65Å; W484-F488 HydrophobicContact CD2-CE2 4.32Å; W484-F488 AromaticContact CE3-CD2 3.31Å; W484-F488 HydrophobicContact CE3-CD2 3.31Å; W484-F488 AromaticContact CE3-CE2 3.53Å; W484-F488 HydrophobicContact CE3-CE2 3.53Å; W484-F488 HydrophobicContact CE3-CG 4.38Å; W484-F488 HydrophobicContact CG-CD2 4.34Å; W484-F488 HydrophobicContact CH2-CD2 4.06Å; W484-F488 HydrophobicContact CH2-CE2 4.45Å; W484-F488 HydrophobicContact CH2-CG 4.47Å; W484-F488 HydrophobicContact CZ2-CB 4.48Å; W484-F488 HydrophobicContact CZ2-CD2 4.33Å; W484-F488 AromaticContact CZ3-CD2 3.54Å; W484-F488 HydrophobicContact CZ3-CD2 3.54Å; W484-F488 AromaticContact CZ3-CE2 3.61Å; W484-F488 HydrophobicContact CZ3-CE2 3.61Å; W484-F488 HydrophobicContact CZ3-CG 4.35Å; W484-F488 HydrophobicContact CZ3-CZ 4.48Å; W484-F488 PolarHBondContact O-N 3.08Å; F488-K490 HydrophobicContact CB-CB 4.49Å; F488-K490 HydrophobicContact CB-CG 4.49Å; F488-K490 PolarHBondContact O-N 3.2Å
489	N	96.3	Very high	98.1	Very high	31 Å²	31	14.1 Å²	14.1	17%	0.166	7%	0.073	C	C	.	.			trans	56.3	37.4	-177.7	-72	110.1	0	0	0	113	A390 K392 N426 G427 R485	A390-N489 PolarHBondContact O-ND2 3.38Å; K392-N489 PolarHBondContact NZ-OD1 3.04Å; N426-N489 VanDerWaalsContact C-C 3.47Å; N426-N489 CarbonylContact C-O 3.57Å; N426-N489 WeakPolarHBondContact CA-O 3.24Å; N426-N489 HydrophobicContact CB-CB 3.98Å; N426-N489 CarbonylContact O-C 3.51Å; N426-N489 VanDerWaalsContact O-CA 3.31Å; N426-N489 WeakPolarHBondContact O-CA 3.1Å; N426-N489 PolarHBondContact O-ND2 3.45Å; G427-N489 PolarHBondContact N-O 3.03Å; R485-N489 WeakPolarHBondContact O-CA 3.41Å; R485-N489 PolarHBondContact O-N 3.05Å
490	K	97.3	Very high	98	Very high	51 Å²	51	14 Å²	14	22%	0.222	7%	0.07	C	C	.	.			trans	-123.6	157.4	-179.1	-72.8	-170.2	173.3	-154.3	0	112	W484 F488	W484-K490 HydrophobicContact CZ2-CB 4.33Å; W484-K490 PolarHBondContact NE1-O 3.12Å; F488-K490 HydrophobicContact CB-CB 4.49Å; F488-K490 HydrophobicContact CB-CG 4.49Å; F488-K490 PolarHBondContact O-N 3.2Å
491	D	98.6	Very high	97.8	Very high	6 Å²	6	17.3 Å²	17.3	3%	0.032	8%	0.082	C	C	.	.			trans	-60.4	151.6	174.6	-69.1	8.6	0	0	0	110.9	F415 S418 G427 T428 H430 A461 P462 W484	F415-D491 HydrophobicContact CD1-CB 4.44Å; F415-D491 VanDerWaalsContact CD1-OD2 3.28Å; F415-D491 WeakPolarHBondContact CD1-OD2 2.96Å; F415-D491 HydrophobicContact CE1-CB 4.08Å; F415-D491 WeakPolarHBondContact CE1-OD2 3.45Å; S418-D491 WeakPolarHBondContact CB-OD2 3.16Å; G427-D491 VanDerWaalsContact CA-OD1 3.28Å; G427-D491 WeakPolarHBondContact CA-OD1 3.35Å; T428-D491 PolarHBondContact N-OD1 2.65Å; T428-D491 VanDerWaalsContact O-CA 3.24Å; T428-D491 WeakPolarHBondContact O-CA 3.36Å; H430-D491 IonicContact NE2-OD2 4Å; H430-D491 PolarHBondContact NE2-OD2 3.49Å; A461-D491 HydrophobicContact CB-CB 4.01Å; A461-D491 WeakPolarHBondContact CB-O 3.28Å; P462-D491 WeakPolarHBondContact CD-O 3.44Å; W484-D491 PolarHBondContact NE1-O 2.81Å
492	V	98.8	Very high	97.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	141.9	173.9	52.4	0	0	0	0	109.6	T428 I429 H430 P462 F464 A481 W484 R485	T428-V492 PolarHBondContact O-N 3.05Å; T428-V492 VanDerWaalsContact O-N 3.07Å; I429-V492 HydrophobicContact CB-CG1 4.38Å; I429-V492 HydrophobicContact CG1-CG1 3.87Å; I429-V492 HydrophobicContact CG2-CG1 4.34Å; H430-V492 PolarHBondContact N-O 2.83Å; P462-V492 HydrophobicContact CG-CB 4.21Å; P462-V492 HydrophobicContact CG-CG2 4.02Å; F464-V492 HydrophobicContact CD2-CG2 3.87Å; F464-V492 HydrophobicContact CE2-CG2 3.57Å; F464-V492 HydrophobicContact CZ-CG2 4.38Å; A481-V492 HydrophobicContact CB-CG1 3.97Å; A481-V492 HydrophobicContact CB-CG2 3.97Å; W484-V492 VanDerWaalsContact CD1-CB 3.5Å; W484-V492 HydrophobicContact CG-CB 4.23Å; R485-V492 HydrophobicContact CB-CG1 4.43Å
493	V	98.9	Very high	97.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	128.5	-178.9	-171.2	0	0	0	0	110.8	F405 F415 H430 V432 T453 A456 P462 I463 F464	F405-V493 HydrophobicContact CE1-CG1 4.41Å; F415-V493 HydrophobicContact CZ-CG2 4.19Å; H430-V493 HydrophobicContact CB-CB 4.42Å; H430-V493 HydrophobicContact CB-CG1 4.27Å; H430-V493 HydrophobicContact CB-CG2 4.11Å; V432-V493 HydrophobicContact CG2-CG1 3.94Å; T453-V493 HydrophobicContact CG2-CG1 3.56Å; A456-V493 HydrophobicContact CB-CG2 3.47Å; A456-V493 VanDerWaalsContact CB-CG2 3.47Å; P462-V493 PolarHBondContact O-N 3.49Å; I463-V493 HydrophobicContact CG1-CB 4.29Å; I463-V493 HydrophobicContact CG2-CB 4.34Å; F464-V493 PolarHBondContact N-O 2.87Å
494	V	98.9	Very high	96.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	109.5	168.6	-178.9	0	0	0	0	108	H430 V431 V432 F464 V466 V477 A481 L496	H430-V494 PolarHBondContact O-N 3.45Å; V431-V494 WeakPolarHBondContact CA-O 3.28Å; V432-V494 PolarHBondContact N-O 3.39Å; F464-V494 WeakPolarHBondContact O-CA 3.47Å; V466-V494 HydrophobicContact CG1-CG1 4.21Å; V477-V494 HydrophobicContact CG1-CG1 3.88Å; V477-V494 HydrophobicContact CG1-CG2 4.06Å; A481-V494 HydrophobicContact CB-CG2 3.71Å; V494-L496 HydrophobicContact CG1-CD2 3.76Å; V494-L496 HydrophobicContact CG1-CG 4.36Å
495	D	98.8	Very high	96.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	102.9	176.7	-177.8	26.1	0	0	0	110	N434 T453 F464 H465 V466 V497	N434-D495 WeakPolarHBondContact CB-OD1 3.46Å; N434-D495 PolarHBondContact ND2-OD1 3.41Å; N434-D495 VanDerWaalsContact ND2-OD1 3.13Å; N434-D495 PolarHBondContact ND2-OD2 3.16Å; T453-D495 HydrophobicContact CG2-CB 3.89Å; F464-D495 PolarHBondContact O-N 2.74Å; H465-D495 HydrophobicContact CB-CB 4.42Å; H465-D495 IonicContact CE1-OD2 3.29Å; H465-D495 IonicContact CG-OD2 2.67Å; H465-D495 WeakPolarHBondContact ND1-CB 3.41Å; H465-D495 IonicContact ND1-OD2 3.23Å; H465-D495 PolarHBondContact ND1-OD2 3.37Å; V466-D495 PolarHBondContact N-O 2.86Å; D495-V497 PolarHBondContact O-N 3.4Å
496	L	98.6	Very high	96	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	91.3	177.7	-58.6	-177.8	0	0	0	109.2	M277 V431 V432 N434 V466 V474 V494 C498	M277-L496 HydrophobicContact CB-CD1 4.15Å; M277-L496 HydrophobicContact CG-CD1 4.27Å; V431-L496 HydrophobicContact CG1-CD1 3.59Å; V431-L496 HydrophobicContact CG1-CG 4.01Å; V432-L496 WeakPolarHBondContact O-CB 3.38Å; V432-L496 PolarHBondContact O-N 2.83Å; N434-L496 PolarHBondContact N-O 2.69Å; V466-L496 HydrophobicContact CG1-CD2 3.61Å; V474-L496 HydrophobicContact CG1-CD2 3.7Å; V474-L496 HydrophobicContact CG2-CD2 4.34Å; V494-L496 HydrophobicContact CG1-CD2 3.76Å; V494-L496 HydrophobicContact CG1-CG 4.36Å; L496-C498 PolarHBondContact O-N 2.96Å; L496-C498 VanDerWaalsContact O-N 3.15Å; L496-C498 PolarHBondContact O-SG 2.74Å; L496-C498 VanDerWaalsContact O-SG 3.35Å
497	V	98	Very high	95.6	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.03	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	108.5	178.4	-171.1	0	0	0	0	108.6	L138 L144 V466 A468 D495	L138-V497 HydrophobicContact CB-CB 4.47Å; L138-V497 HydrophobicContact CB-CG2 4.23Å; L138-V497 WeakPolarHBondContact O-CB 3.48Å; L138-V497 WeakPolarHBondContact O-CG1 3.35Å; L144-V497 HydrophobicContact CD1-CG1 4.49Å; V466-V497 PolarHBondContact O-N 3.25Å; A468-V497 WeakPolarHBondContact CB-O 3.35Å; A468-V497 PolarHBondContact N-O 3.31Å; D495-V497 PolarHBondContact O-N 3.4Å
498	C	97.6	Very high	95.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.135	C	C	.	.			trans	-140.3	-162.1	-167.4	66.6	0	0	0	0	110.5	G273 C274 N434 N435 Q436 A468 L496	G273-C498 WeakPolarHBondContact O-CB 3.46Å; C274-C498 HydrophobicContact CB-CB 3.73Å; N434-C498 PolarHBondContact O-N 3.23Å; N434-C498 PolarHBondContact O-SG 2.92Å; N435-C498 VanDerWaalsContact CA-SG 3.54Å; N435-C498 PolarHBondContact N-SG 3.12Å; Q436-C498 PolarHBondContact NE2-O 2.76Å; A468-C498 HydrophobicContact CB-CB 3.54Å; L496-C498 PolarHBondContact O-N 2.96Å; L496-C498 VanDerWaalsContact O-N 3.15Å; L496-C498 PolarHBondContact O-SG 2.74Å; L496-C498 VanDerWaalsContact O-SG 3.35Å
499	Y	97.3	Very high	95.2	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.008	15%	0.145	C	C	.	.			trans	-142.4	172.7	173.6	59.7	-88.3	0	0	0	111.5	P140 L141 G273 R303 R501 I521 Q524	P140-Y499 HydrophobicContact CB-CD1 4.37Å; P140-Y499 HydrophobicContact CG-CD1 3.97Å; L141-Y499 HydrophobicContact CD2-CD1 3.95Å; L141-Y499 HydrophobicContact CD2-CG 3.94Å; G273-Y499 CarbonylContact C-O 3.53Å; G273-Y499 WeakPolarHBondContact CA-O 3.34Å; G273-Y499 PolarHBondContact O-N 3.28Å; R303-Y499 PolarHBondContact NH2-O 2.9Å; Y499-R501 HydrophobicContact CE2-CB 4.46Å; Y499-I521 HydrophobicContact CD2-CB 4.48Å; Y499-I521 HydrophobicContact CD2-CD1 4.45Å; Y499-I521 HydrophobicContact CD2-CG1 4.03Å; Y499-I521 HydrophobicContact CD2-CG2 3.85Å; Y499-I521 HydrophobicContact CE2-CG2 4.11Å; Y499-I521 HydrophobicContact CG-CG1 4.31Å; Y499-Q524 HydrophobicContact CE1-CB 4.4Å; Y499-Q524 HydrophobicContact CE1-CG 4.25Å; Y499-Q524 HydrophobicContact CE2-CB 4.4Å
500	R	96.6	Very high	95.2	Very high	14 Å²	14	30.9 Å²	30.9	5%	0.053	14%	0.14	C	C	.	.			trans	-113.4	109.8	173.2	-168.1	176.3	67.6	-151.8	1.5	110.2	N435 F439 R502 G503 H504 Y518	N435-R500 HydrophobicContact CB-CB 4.27Å; F439-R500 PolarHBondContact O-NH2 3.4Å; R500-R502 VanDerWaalsContact C-N 3.25Å; R500-R502 WeakPolarHBondContact CG-O 3.3Å; R500-R502 PolarHBondContact NE-O 3.16Å; R500-R502 PolarHBondContact O-N 3.07Å; R500-G503 WeakPolarHBondContact CD-O 3.45Å; R500-G503 PolarHBondContact NE-O 3.47Å; R500-H504 PolarHBondContact NH1-ND1 3.45Å; R500-Y518 PolarHBondContact NE-OH 3.3Å; R500-Y518 PolarHBondContact NH2-OH 3.46Å; R500-Y518 WeakPolarHBondContact O-CE1 3.2Å; R500-Y518 PolarHBondContact O-OH 2.95Å
501	R	95.3	Very high	95.1	Very high	72 Å²	72	31.3 Å²	31.3	27%	0.272	14%	0.144	S	C	.	.	S	Bend	trans	-61	-32.4	-174.8	-172.7	67.3	174.2	-155.6	0.8	113.5	E272 Y499 I521 Q524	E272-R501 HydrophobicContact CB-CB 3.59Å; E272-R501 HydrophobicContact CB-CG 4.24Å; E272-R501 WeakPolarHBondContact O-CB 3.36Å; E272-R501 PolarHBondContact O-N 2.95Å; Y499-R501 HydrophobicContact CE2-CB 4.46Å; R501-I521 PolarHBondContact NH1-O 3.19Å; R501-Q524 PolarHBondContact NH1-O 2.89Å
502	R	93.5	Very high	95	Very high	133 Å²	133	39.4 Å²	39.4	50%	0.502	18%	0.179	S	C	.	.	S	Bend	trans	-111.2	178.7	-178.4	-58.7	-62.6	-174.3	170.2	1.5	111.1	R500 E506 Y518	R500-R502 VanDerWaalsContact C-N 3.25Å; R500-R502 WeakPolarHBondContact CG-O 3.3Å; R500-R502 PolarHBondContact NE-O 3.16Å; R500-R502 PolarHBondContact O-N 3.07Å; R502-E506 HydrophobicContact CB-CG 4.37Å; R502-E506 HydrophobicContact CG-CG 4.35Å; R502-Y518 WeakPolarHBondContact O-CE1 3.2Å; R502-Y518 PolarHBondContact O-OH 2.89Å
503	G	92.4	Very high	94.9	Very high	5 Å²	5	42.4 Å²	42.4	5%	0.052	20%	0.197	C	C	.	.			trans	-61.3	-175.1	168.7	0	0	0	0	0	112.8	R500 N505	R500-G503 WeakPolarHBondContact CD-O 3.45Å; R500-G503 PolarHBondContact NE-O 3.47Å; G503-N505 CarbonylContact C-O 3.57Å; G503-N505 VanDerWaalsContact C-O 3.26Å; G503-N505 PolarHBondContact O-N 3.04Å
504	H	91.7	Very high	94.7	Very high	43 Å²	43	43.3 Å²	43.3	20%	0.199	20%	0.202	C	C	.	.	S	Bend	trans	-60.1	-35.5	-178.5	179.2	58.1	0	0	0	112.4	F269 H302 F439 R500 D508	F269-H504 WeakPolarHBondContact CD1-O 3.45Å; H302-H504 AromaticContact NE2-CE1 3.71Å; F439-H504 HydrophobicContact CB-CB 4.44Å; F439-H504 HydrophobicContact CD1-CB 3.79Å; F439-H504 HydrophobicContact CD2-CB 4.22Å; F439-H504 AromaticContact CD2-CD2 3.26Å; F439-H504 WeakPolarHBondContact CD2-CD2 3.38Å; F439-H504 AromaticContact CD2-CG 3.68Å; F439-H504 AromaticContact CD2-NE2 3.77Å; F439-H504 HydrophobicContact CE1-CB 4.09Å; F439-H504 HydrophobicContact CE2-CB 4.48Å; F439-H504 AromaticContact CE2-CD2 3.47Å; F439-H504 VanDerWaalsContact CE2-CD2 3.47Å; F439-H504 WeakPolarHBondContact CE2-CD2 3.33Å; F439-H504 HydrophobicContact CG-CB 3.88Å; F439-H504 AromaticContact CG-CD2 3.79Å; F439-H504 AromaticContact CG-CG 3.68Å; F439-H504 HydrophobicContact CZ-CB 4.43Å; R500-H504 PolarHBondContact NH1-ND1 3.45Å; H504-D508 PolarHBondContact N-OD2 3.04Å
505	N	88.4	Confident	94.5	Very high	20 Å²	20	45.8 Å²	45.8	11%	0.107	22%	0.218	C	C	.	.	S	Bend	trans	-122.8	169.7	158.1	63.9	87.4	0	0	0	108.2	K267 F269 G503 M507 D508	K267-N505 HydrophobicContact CB-CB 4.48Å; K267-N505 HydrophobicContact CD-CB 4.03Å; K267-N505 HydrophobicContact CG-CB 4Å; F269-N505 HydrophobicContact CE1-CB 4.31Å; G503-N505 CarbonylContact C-O 3.57Å; G503-N505 VanDerWaalsContact C-O 3.26Å; G503-N505 PolarHBondContact O-N 3.04Å; N505-M507 PolarHBondContact O-N 3.36Å; N505-M507 VanDerWaalsContact O-N 3.12Å; N505-M507 PolarHBondContact OD1-N 3.37Å; N505-D508 WeakPolarHBondContact O-CB 3.28Å; N505-D508 PolarHBondContact O-N 3.4Å; N505-D508 VanDerWaalsContact O-N 3.07Å; N505-D508 PolarHBondContact OD1-N 3.1Å
506	E	88.1	Confident	94.3	Very high	29 Å²	29	52 Å²	52	14%	0.136	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-10.3	-168.1	-63.2	88.9	179.7	0	0	115.1	R268 F269 G270 R502	R268-E506 VanDerWaalsContact CG-CD 3.48Å; R268-E506 HydrophobicContact CG-CG 4.43Å; R268-E506 WeakPolarHBondContact CG-OE1 3.5Å; R268-E506 IonicContact CZ-OE1 3.01Å; R268-E506 PolarHBondContact N-OE2 3.2Å; R268-E506 IonicContact NE-OE1 2.64Å; R268-E506 VanDerWaalsContact NH1-CG 3.34Å; F269-E506 WeakPolarHBondContact CA-OE1 3.23Å; F269-E506 PolarHBondContact N-OE1 3.45Å; F269-E506 PolarHBondContact N-OE2 3.39Å; G270-E506 PolarHBondContact N-OE1 2.87Å; R502-E506 HydrophobicContact CB-CG 4.37Å; R502-E506 HydrophobicContact CG-CG 4.35Å
507	M	87.8	Confident	94.1	Very high	125 Å²	125	52.7 Å²	52.7	62%	0.616	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-7.1	175	-60.6	-60.8	-63.3	0	0	113.3	N505	N505-M507 PolarHBondContact O-N 3.36Å; N505-M507 VanDerWaalsContact O-N 3.12Å; N505-M507 PolarHBondContact OD1-N 3.37Å
508	D	92.2	Very high	94	Very high	47 Å²	47	52.6 Å²	52.6	25%	0.251	25%	0.253	S	S	.	.			trans	-81.2	140	-179.4	-177.2	46.4	0	0	0	110.8	H504 N505 P510	H504-D508 PolarHBondContact N-OD2 3.04Å; N505-D508 WeakPolarHBondContact O-CB 3.28Å; N505-D508 PolarHBondContact O-N 3.4Å; N505-D508 VanDerWaalsContact O-N 3.07Å; N505-D508 PolarHBondContact OD1-N 3.1Å; D508-P510 WeakPolarHBondContact O-CD 3.18Å
509	E	95.3	Very high	94	Very high	85 Å²	85	58 Å²	58	40%	0.397	28%	0.276	S	S	.	.			trans	-101.3	96.9	179.8	176.2	50.7	-100.1	0	0	110.1	M511 F512	E509-M511 VanDerWaalsContact C-N 3.34Å; E509-M511 PolarHBondContact O-N 3.36Å; E509-M511 VanDerWaalsContact OE1-CB 3.27Å; E509-M511 WeakPolarHBondContact OE1-CB 3.5Å; E509-M511 WeakPolarHBondContact OE1-CG 3.43Å; E509-M511 PolarHBondContact OE1-N 3.2Å; E509-F512 HydrophobicContact CB-CD2 3.97Å; E509-F512 HydrophobicContact CB-CE1 4.39Å; E509-F512 HydrophobicContact CB-CE2 3.68Å; E509-F512 HydrophobicContact CB-CG 4.45Å; E509-F512 HydrophobicContact CB-CZ 3.91Å; E509-F512 HydrophobicContact CG-CD1 3.85Å; E509-F512 HydrophobicContact CG-CD2 4.04Å; E509-F512 HydrophobicContact CG-CE1 3.61Å; E509-F512 HydrophobicContact CG-CE2 3.83Å; E509-F512 HydrophobicContact CG-CG 4.06Å; E509-F512 HydrophobicContact CG-CZ 3.6Å
510	P	94.6	Very high	93.9	Very high	11 Å²	11	61.2 Å²	61.2	7%	0.071	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-77.9	-16.9	-171.2	31.7	-37.2	0	0	0	113.8	D508 F512 T513 Q514 Y518	D508-P510 WeakPolarHBondContact O-CD 3.18Å; P510-F512 PolarHBondContact O-N 3.45Å; P510-T513 PolarHBondContact O-N 2.92Å; P510-T513 PolarHBondContact O-OG1 3.44Å; P510-Q514 PolarHBondContact O-N 2.81Å; P510-Y518 HydrophobicContact CB-CD1 4.1Å; P510-Y518 HydrophobicContact CB-CD2 3.74Å; P510-Y518 HydrophobicContact CB-CE1 3.71Å; P510-Y518 HydrophobicContact CB-CE2 3.31Å; P510-Y518 HydrophobicContact CB-CG 4.09Å; P510-Y518 HydrophobicContact CG-CD1 3.38Å; P510-Y518 HydrophobicContact CG-CD2 3.95Å; P510-Y518 HydrophobicContact CG-CE1 3.13Å; P510-Y518 HydrophobicContact CG-CE2 3.74Å; P510-Y518 HydrophobicContact CG-CG 3.76Å
511	M	96	Very high	93.9	Very high	60 Å²	60	60.6 Å²	60.6	30%	0.296	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-67.5	-14.8	178	-65	-166.8	70.2	0	0	113	E509 T513 P515 K519	E509-M511 VanDerWaalsContact C-N 3.34Å; E509-M511 PolarHBondContact O-N 3.36Å; E509-M511 VanDerWaalsContact OE1-CB 3.27Å; E509-M511 WeakPolarHBondContact OE1-CB 3.5Å; E509-M511 WeakPolarHBondContact OE1-CG 3.43Å; E509-M511 PolarHBondContact OE1-N 3.2Å; M511-T513 PolarHBondContact O-N 2.85Å; M511-P515 HydrophobicContact CE-CB 4.38Å; M511-K519 HydrophobicContact CE-CG 3.98Å
512	F	96.7	Very high	93.9	Very high	177 Å²	177	62.4 Å²	62.4	78%	0.776	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-62.7	-31.2	173.3	-66.7	-20.5	0	0	0	113.1	E509 P510	E509-F512 HydrophobicContact CB-CD2 3.97Å; E509-F512 HydrophobicContact CB-CE1 4.39Å; E509-F512 HydrophobicContact CB-CE2 3.68Å; E509-F512 HydrophobicContact CB-CG 4.45Å; E509-F512 HydrophobicContact CB-CZ 3.91Å; E509-F512 HydrophobicContact CG-CD1 3.85Å; E509-F512 HydrophobicContact CG-CD2 4.04Å; E509-F512 HydrophobicContact CG-CE1 3.61Å; E509-F512 HydrophobicContact CG-CE2 3.83Å; E509-F512 HydrophobicContact CG-CG 4.06Å; E509-F512 HydrophobicContact CG-CZ 3.6Å; P510-F512 PolarHBondContact O-N 3.45Å
513	T	95.6	Very high	94.1	Very high	62 Å²	62	63.2 Å²	63.2	38%	0.38	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-51.8	177	50.1	0	0	0	0	110	T440 P510 M511 P515	T440-T513 HydrophobicContact CG2-CG2 4.02Å; P510-T513 PolarHBondContact O-N 2.92Å; P510-T513 PolarHBondContact O-OG1 3.44Å; M511-T513 PolarHBondContact O-N 2.85Å; T513-P515 WeakPolarHBondContact O-CD 3.42Å
514	Q	95.4	Very high	94.2	Very high	20 Å²	20	64.4 Å²	64.4	9%	0.093	31%	0.312	C	S	.	.			trans	-113.3	57.7	-166.6	-39	-43.3	32.4	0	0	113.7	I437 T440 D442 P510 L516 M517 Y518	I437-Q514 HydrophobicContact CD1-CG 3.49Å; I437-Q514 VanDerWaalsContact CD1-CG 3.49Å; T440-Q514 PolarHBondContact O-NE2 3.38Å; D442-Q514 PolarHBondContact OD1-NE2 3.32Å; P510-Q514 PolarHBondContact O-N 2.81Å; Q514-L516 VanDerWaalsContact C-N 3.31Å; Q514-L516 PolarHBondContact O-N 3Å; Q514-M517 HydrophobicContact CB-CB 4.2Å; Q514-M517 PolarHBondContact O-N 2.93Å; Q514-Y518 HydrophobicContact CB-CD2 4.09Å; Q514-Y518 HydrophobicContact CB-CE2 4.4Å; Q514-Y518 PolarHBondContact O-N 3.11Å; Q514-Y518 VanDerWaalsContact O-N 3.11Å
515	P	95.2	Very high	94.4	Very high	52 Å²	52	65.2 Å²	65.2	34%	0.338	32%	0.32	S	S	.	.	H	α-helix	trans	-65.3	-30.3	-170.1	27	-35.6	0	0	0	113.5	M511 T513 K519	M511-P515 HydrophobicContact CE-CB 4.38Å; T513-P515 WeakPolarHBondContact O-CD 3.42Å; P515-K519 WeakPolarHBondContact O-CB 3.4Å; P515-K519 WeakPolarHBondContact O-CD 3.44Å; P515-K519 WeakPolarHBondContact O-CG 3.4Å; P515-K519 PolarHBondContact O-N 2.83Å
516	L	93.6	Very high	94.7	Very high	130 Å²	130	66.3 Å²	66.3	68%	0.681	33%	0.328	S	S	*	.	H	α-helix	trans	-74	-46.1	-179.4	-63.3	-177.7	0	0	0	111.9	Q514 Y518 K519 Q520	Q514-L516 VanDerWaalsContact C-N 3.31Å; Q514-L516 PolarHBondContact O-N 3Å; L516-Y518 PolarHBondContact O-N 2.87Å; L516-K519 PolarHBondContact O-N 2.88Å; L516-Q520 PolarHBondContact O-N 3.23Å
517	M	94.9	Very high	95.1	Very high	15 Å²	15	65 Å²	65	7%	0.074	32%	0.322	C	S	.	.	H	α-helix	trans	-56.9	-50.4	174.2	176.1	-175.9	-77.9	0	0	110.5	L141 I143 Q436 I437 Q514 K519 Q520 I521	L141-M517 HydrophobicContact CD1-CG 3.95Å; I143-M517 HydrophobicContact CD1-CB 3.81Å; I143-M517 HydrophobicContact CD1-CE 3.75Å; I143-M517 HydrophobicContact CD1-CG 3.64Å; Q436-M517 HydrophobicContact CB-CE 4.15Å; Q436-M517 WeakPolarHBondContact O-CE 3.48Å; I437-M517 HydrophobicContact CB-SD 4.39Å; I437-M517 HydrophobicContact CD1-SD 4.42Å; Q514-M517 HydrophobicContact CB-CB 4.2Å; Q514-M517 PolarHBondContact O-N 2.93Å; M517-K519 PolarHBondContact O-N 3.23Å; M517-Q520 WeakPolarHBondContact O-CA 3.34Å; M517-Q520 WeakPolarHBondContact O-CB 3.4Å; M517-Q520 PolarHBondContact O-N 3.16Å; M517-I521 HydrophobicContact CG-CD1 3.74Å; M517-I521 HydrophobicContact CG-CG1 4.41Å; M517-I521 WeakPolarHBondContact O-CG1 3.5Å; M517-I521 PolarHBondContact O-N 2.89Å; M517-I521 HydrophobicContact SD-CD1 4.36Å
518	Y	96.4	Very high	95.5	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.008	30%	0.295	C	S	.	.	H	α-helix	trans	-70.8	-28.4	-176.9	-83.7	-93.4	0	0	0	113.7	I437 R500 R502 P510 Q514 L516 Q520 I521 H522	I437-Y518 HydrophobicContact CD1-CE2 4.42Å; R500-Y518 PolarHBondContact NE-OH 3.3Å; R500-Y518 PolarHBondContact NH2-OH 3.46Å; R500-Y518 WeakPolarHBondContact O-CE1 3.2Å; R500-Y518 PolarHBondContact O-OH 2.95Å; R502-Y518 WeakPolarHBondContact O-CE1 3.2Å; R502-Y518 PolarHBondContact O-OH 2.89Å; P510-Y518 HydrophobicContact CB-CD1 4.1Å; P510-Y518 HydrophobicContact CB-CD2 3.74Å; P510-Y518 HydrophobicContact CB-CE1 3.71Å; P510-Y518 HydrophobicContact CB-CE2 3.31Å; P510-Y518 HydrophobicContact CB-CG 4.09Å; P510-Y518 HydrophobicContact CG-CD1 3.38Å; P510-Y518 HydrophobicContact CG-CD2 3.95Å; P510-Y518 HydrophobicContact CG-CE1 3.13Å; P510-Y518 HydrophobicContact CG-CE2 3.74Å; P510-Y518 HydrophobicContact CG-CG 3.76Å; Q514-Y518 HydrophobicContact CB-CD2 4.09Å; Q514-Y518 HydrophobicContact CB-CE2 4.4Å; Q514-Y518 PolarHBondContact O-N 3.11Å; Q514-Y518 VanDerWaalsContact O-N 3.11Å; L516-Y518 PolarHBondContact O-N 2.87Å; Y518-Q520 VanDerWaalsContact C-N 3.27Å; Y518-Q520 PolarHBondContact O-N 3.4Å; Y518-I521 HydrophobicContact CD1-CD1 4.07Å; Y518-I521 HydrophobicContact CD2-CD1 4.25Å; Y518-I521 HydrophobicContact CE1-CD1 4.03Å; Y518-I521 HydrophobicContact CE2-CD1 4.22Å; Y518-I521 HydrophobicContact CG-CD1 4.2Å; Y518-I521 PolarHBondContact O-N 3.39Å; Y518-H522 WeakPolarHBondContact O-CB 3.21Å; Y518-H522 PolarHBondContact O-CD2 3.09Å; Y518-H522 VanDerWaalsContact O-CG 3.27Å; Y518-H522 PolarHBondContact O-N 2.99Å
519	K	96.4	Very high	95.7	Very high	113 Å²	113	62.7 Å²	62.7	49%	0.491	31%	0.307	S	S	.	.	H	α-helix	trans	-60.1	-35.7	167.1	-81	170.8	-174.6	178.7	0	112.6	M511 P515 L516 M517 K523	M511-K519 HydrophobicContact CE-CG 3.98Å; P515-K519 WeakPolarHBondContact O-CB 3.4Å; P515-K519 WeakPolarHBondContact O-CD 3.44Å; P515-K519 WeakPolarHBondContact O-CG 3.4Å; P515-K519 PolarHBondContact O-N 2.83Å; L516-K519 PolarHBondContact O-N 2.88Å; M517-K519 PolarHBondContact O-N 3.23Å; K519-K523 WeakPolarHBondContact O-CG 3.27Å
520	Q	96.1	Very high	95.8	Very high	71 Å²	71	62.1 Å²	62.1	33%	0.332	30%	0.303	S	S	.	.	H	α-helix	trans	-74.5	-45	173.8	-63.1	-61.3	2.9	0	0	111.5	I143 L516 M517 Y518 H522 K523 Q524	I143-Q520 HydrophobicContact CG2-CB 4.35Å; I143-Q520 HydrophobicContact CG2-CG 3.75Å; L516-Q520 PolarHBondContact O-N 3.23Å; M517-Q520 WeakPolarHBondContact O-CA 3.34Å; M517-Q520 WeakPolarHBondContact O-CB 3.4Å; M517-Q520 PolarHBondContact O-N 3.16Å; Y518-Q520 VanDerWaalsContact C-N 3.27Å; Y518-Q520 PolarHBondContact O-N 3.4Å; Q520-H522 VanDerWaalsContact C-N 3.26Å; Q520-H522 PolarHBondContact O-N 3.3Å; Q520-K523 WeakPolarHBondContact O-CA 3.29Å; Q520-K523 WeakPolarHBondContact O-CB 3.14Å; Q520-K523 PolarHBondContact O-N 3.23Å; Q520-Q524 PolarHBondContact O-N 2.71Å
521	I	96.6	Very high	95.9	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-55.6	-40.6	176.7	-68.4	169.8	0	0	0	111.7	L141 Y499 R501 M517 Y518 K523 Q524	L141-I521 HydrophobicContact CD1-CD1 4.17Å; L141-I521 HydrophobicContact CD1-CG1 3.83Å; L141-I521 HydrophobicContact CD2-CG1 3.66Å; L141-I521 HydrophobicContact CG-CG1 4.43Å; Y499-I521 HydrophobicContact CD2-CB 4.48Å; Y499-I521 HydrophobicContact CD2-CD1 4.45Å; Y499-I521 HydrophobicContact CD2-CG1 4.03Å; Y499-I521 HydrophobicContact CD2-CG2 3.85Å; Y499-I521 HydrophobicContact CE2-CG2 4.11Å; Y499-I521 HydrophobicContact CG-CG1 4.31Å; R501-I521 PolarHBondContact NH1-O 3.19Å; M517-I521 HydrophobicContact CG-CD1 3.74Å; M517-I521 HydrophobicContact CG-CG1 4.41Å; M517-I521 WeakPolarHBondContact O-CG1 3.5Å; M517-I521 PolarHBondContact O-N 2.89Å; M517-I521 HydrophobicContact SD-CD1 4.36Å; Y518-I521 HydrophobicContact CD1-CD1 4.07Å; Y518-I521 HydrophobicContact CD2-CD1 4.25Å; Y518-I521 HydrophobicContact CE1-CD1 4.03Å; Y518-I521 HydrophobicContact CE2-CD1 4.22Å; Y518-I521 HydrophobicContact CG-CD1 4.2Å; Y518-I521 PolarHBondContact O-N 3.39Å; I521-K523 PolarHBondContact O-N 3.31Å; I521-Q524 WeakPolarHBondContact O-CB 3.43Å; I521-Q524 PolarHBondContact O-N 3.19Å
522	H	96.1	Very high	96	Very high	110 Å²	110	59 Å²	59	51%	0.509	29%	0.287	S	S	.	.	H	α-helix	trans	-63.6	-25.9	177.4	-72.9	-44.8	0	0	0	113.8	Y518 Q520	Y518-H522 WeakPolarHBondContact O-CB 3.21Å; Y518-H522 PolarHBondContact O-CD2 3.09Å; Y518-H522 VanDerWaalsContact O-CG 3.27Å; Y518-H522 PolarHBondContact O-N 2.99Å; Q520-H522 VanDerWaalsContact C-N 3.26Å; Q520-H522 PolarHBondContact O-N 3.3Å
523	K	95.8	Very high	96.1	Very high	151 Å²	151	54.7 Å²	54.7	66%	0.657	27%	0.272	S	S	*	.	H	α-helix	trans	-84.8	-14.1	174.5	-63	173.1	-174.6	174.7	0	112.8	K519 Q520 I521 V525	K519-K523 WeakPolarHBondContact O-CG 3.27Å; Q520-K523 WeakPolarHBondContact O-CA 3.29Å; Q520-K523 WeakPolarHBondContact O-CB 3.14Å; Q520-K523 PolarHBondContact O-N 3.23Å; I521-K523 PolarHBondContact O-N 3.31Å; K523-V525 PolarHBondContact O-N 3.31Å
524	Q	95.6	Very high	96.1	Very high	29 Å²	29	55.8 Å²	55.8	14%	0.136	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-65.7	131.1	-177.1	-71.1	-62.1	-19.1	0	0	111.7	P140 L141 Y499 R501 Q520 I521 K530	P140-Q524 PolarHBondContact O-NE2 3.15Å; L141-Q524 HydrophobicContact CD2-CG 3.68Å; Y499-Q524 HydrophobicContact CE1-CB 4.4Å; Y499-Q524 HydrophobicContact CE1-CG 4.25Å; Y499-Q524 HydrophobicContact CE2-CB 4.4Å; R501-Q524 PolarHBondContact NH1-O 2.89Å; Q520-Q524 PolarHBondContact O-N 2.71Å; I521-Q524 WeakPolarHBondContact O-CB 3.43Å; I521-Q524 PolarHBondContact O-N 3.19Å; Q524-K530 VanDerWaalsContact OE1-NZ 3.14Å
525	V	95.7	Very high	96.3	Very high	60 Å²	60	54.9 Å²	54.9	36%	0.364	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-78.9	132	167.8	-179	0	0	0	0	108.1	K523 K529 K530	K523-V525 PolarHBondContact O-N 3.31Å; V525-K529 HydrophobicContact CG1-CB 3.98Å; V525-K529 HydrophobicContact CG1-CD 3.88Å; V525-K529 HydrophobicContact CG1-CG 3.98Å; V525-K530 HydrophobicContact CB-CG 4.13Å; V525-K530 HydrophobicContact CG1-CG 3.99Å; V525-K530 WeakPolarHBondContact O-CE 3.38Å
526	P	94.7	Very high	96.4	Very high	44 Å²	44	55.2 Å²	55.2	29%	0.286	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-60.1	143.2	179.6	-22.4	32.4	0	0	0	112.7	M253 L528 K529 K530	M253-P526 HydrophobicContact CE-CB 3.49Å; M253-P526 VanDerWaalsContact CE-CB 3.49Å; M253-P526 HydrophobicContact SD-CB 3.97Å; P526-L528 VanDerWaalsContact C-N 3.27Å; P526-L528 PolarHBondContact O-N 3.02Å; P526-K529 WeakPolarHBondContact O-CB 3.28Å; P526-K529 PolarHBondContact O-N 2.96Å; P526-K530 PolarHBondContact O-N 3.31Å; P526-K530 VanDerWaalsContact O-N 3.15Å
527	V	96.2	Very high	96.6	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.012	27%	0.269	C	S	.	.	H	α-helix	trans	-56.3	-37.8	-175.4	65.7	0	0	0	0	113.3	L249 M253 E275 P471 K529 K530 Y531	L249-V527 HydrophobicContact CD2-CG1 4.43Å; M253-V527 HydrophobicContact CE-CG1 4.35Å; E275-V527 HydrophobicContact CB-CG1 4.21Å; P471-V527 HydrophobicContact CG-CG2 3.58Å; V527-K529 VanDerWaalsContact C-N 3.28Å; V527-K529 PolarHBondContact O-N 3.42Å; V527-K530 PolarHBondContact O-N 3.41Å; V527-Y531 WeakPolarHBondContact O-CB 3.34Å; V527-Y531 PolarHBondContact O-N 2.63Å
528	L	97.1	Very high	96.6	Very high	9 Å²	9	56 Å²	56	5%	0.047	28%	0.284	C	S	.	.	H	α-helix	trans	-58.1	-42.9	176.8	177	60.7	0	0	0	111.6	L246 L249 V250 M253 P526 A532 F546	L246-L528 HydrophobicContact CD1-CD1 3.84Å; L249-L528 HydrophobicContact CB-CD1 3.81Å; V250-L528 HydrophobicContact CG2-CD1 3.76Å; V250-L528 HydrophobicContact CG2-CD2 4.25Å; M253-L528 HydrophobicContact CB-CD2 4.08Å; M253-L528 HydrophobicContact CE-CB 3.92Å; M253-L528 HydrophobicContact CG-CD2 4.35Å; M253-L528 HydrophobicContact SD-CB 3.51Å; M253-L528 VanDerWaalsContact SD-CB 3.51Å; M253-L528 HydrophobicContact SD-CD2 3.8Å; M253-L528 HydrophobicContact SD-CG 4.28Å; P526-L528 VanDerWaalsContact C-N 3.27Å; P526-L528 PolarHBondContact O-N 3.02Å; L528-A532 VanDerWaalsContact O-CB 3.25Å; L528-A532 WeakPolarHBondContact O-CB 3.25Å; L528-A532 PolarHBondContact O-N 3.46Å; L528-F546 HydrophobicContact CD1-CE2 4Å; L528-F546 HydrophobicContact CD2-CE2 4.42Å; L528-F546 HydrophobicContact CD2-CZ 4.44Å; L528-F546 HydrophobicContact CG-CE2 4.14Å; L528-F546 HydrophobicContact CG-CZ 4.22Å
529	K	96.4	Very high	96.5	Very high	114 Å²	114	59 Å²	59	50%	0.496	31%	0.314	S	S	.	.	H	α-helix	trans	-69.3	-46.7	179.4	179.8	171.3	178.4	-178.8	0	110.9	V525 P526 V527 Y531 A532 D533	V525-K529 HydrophobicContact CG1-CB 3.98Å; V525-K529 HydrophobicContact CG1-CD 3.88Å; V525-K529 HydrophobicContact CG1-CG 3.98Å; P526-K529 WeakPolarHBondContact O-CB 3.28Å; P526-K529 PolarHBondContact O-N 2.96Å; V527-K529 VanDerWaalsContact C-N 3.28Å; V527-K529 PolarHBondContact O-N 3.42Å; K529-Y531 PolarHBondContact O-N 3.11Å; K529-A532 PolarHBondContact O-N 3.15Å; K529-D533 WeakPolarHBondContact O-CB 3.45Å; K529-D533 VanDerWaalsContact O-CG 3.25Å; K529-D533 PolarHBondContact O-N 3.11Å
530	K	96.6	Very high	96.6	Very high	72 Å²	72	53.9 Å²	53.9	31%	0.313	29%	0.293	S	S	.	.	H	α-helix	trans	-52.2	-46.1	175.7	-67.8	-179.4	175.1	175.4	0	111.1	D469 Q524 V525 P526 V527 K534	D469-K530 IonicContact OD2-NZ 3.52Å; D469-K530 PolarHBondContact OD2-NZ 2.87Å; Q524-K530 VanDerWaalsContact OE1-NZ 3.14Å; V525-K530 HydrophobicContact CB-CG 4.13Å; V525-K530 HydrophobicContact CG1-CG 3.99Å; V525-K530 WeakPolarHBondContact O-CE 3.38Å; P526-K530 PolarHBondContact O-N 3.31Å; P526-K530 VanDerWaalsContact O-N 3.15Å; V527-K530 PolarHBondContact O-N 3.41Å; K530-K534 PolarHBondContact O-N 3.21Å
531	Y	97.8	Very high	96.6	Very high	5 Å²	5	50.9 Å²	50.9	2%	0.02	28%	0.279	C	S	.	.	H	α-helix	trans	-74.5	-40	-178.6	-168.9	-117	0	0	0	113.2	K242 L245 L246 L249 P471 E472 V527 K529 K534 L535	K242-Y531 VanDerWaalsContact CA-OH 3.31Å; K242-Y531 WeakPolarHBondContact CA-OH 2.98Å; K242-Y531 PolarHBondContact O-OH 3.3Å; L245-Y531 HydrophobicContact CB-CE1 4.16Å; L245-Y531 HydrophobicContact CD2-CE1 4.08Å; L245-Y531 HydrophobicContact CD2-CE2 4.34Å; L245-Y531 HydrophobicContact CG-CE1 3.83Å; L246-Y531 HydrophobicContact CB-CD1 4.35Å; L246-Y531 HydrophobicContact CB-CE1 4.09Å; L246-Y531 HydrophobicContact CD1-CD1 4.08Å; L249-Y531 HydrophobicContact CD1-CD1 3.75Å; L249-Y531 HydrophobicContact CD1-CE1 4.43Å; L249-Y531 HydrophobicContact CD1-CG 4.21Å; P471-Y531 HydrophobicContact CB-CD2 4.32Å; P471-Y531 HydrophobicContact CB-CG 4.48Å; P471-Y531 HydrophobicContact CG-CD2 4.13Å; P471-Y531 HydrophobicContact CG-CG 4.11Å; E472-Y531 HydrophobicContact CG-CE2 3.97Å; E472-Y531 WeakPolarHBondContact OE1-CE2 3.26Å; V527-Y531 WeakPolarHBondContact O-CB 3.34Å; V527-Y531 PolarHBondContact O-N 2.63Å; K529-Y531 PolarHBondContact O-N 3.11Å; Y531-K534 HydrophobicContact CD2-CD 4.4Å; Y531-K534 WeakPolarHBondContact O-CB 3.32Å; Y531-K534 PolarHBondContact O-N 3.19Å; Y531-L535 HydrophobicContact CD1-CD1 4.01Å; Y531-L535 HydrophobicContact CD1-CG 4.39Å; Y531-L535 HydrophobicContact CE1-CD1 3.47Å; Y531-L535 VanDerWaalsContact CE1-CD1 3.47Å; Y531-L535 HydrophobicContact CE1-CD2 4.5Å; Y531-L535 HydrophobicContact CE1-CG 4.04Å; Y531-L535 HydrophobicContact CE2-CD2 4.24Å; Y531-L535 HydrophobicContact CE2-CG 4.32Å; Y531-L535 WeakPolarHBondContact O-CG 3.41Å; Y531-L535 PolarHBondContact O-N 2.82Å
532	A	97.8	Very high	96.6	Very high	2 Å²	2	54.5 Å²	54.5	2%	0.017	30%	0.301	C	S	.	.	H	α-helix	trans	-61.2	-46.2	174.7	0	0	0	0	0	111.6	L246 L528 K529 K534 L535 I536 F546	L246-A532 HydrophobicContact CD1-CB 4.15Å; L528-A532 VanDerWaalsContact O-CB 3.25Å; L528-A532 WeakPolarHBondContact O-CB 3.25Å; L528-A532 PolarHBondContact O-N 3.46Å; K529-A532 PolarHBondContact O-N 3.15Å; A532-K534 VanDerWaalsContact C-N 3.29Å; A532-K534 PolarHBondContact O-N 3.37Å; A532-L535 PolarHBondContact O-N 3.25Å; A532-L535 VanDerWaalsContact O-N 3.16Å; A532-I536 VanDerWaalsContact O-CG1 3.29Å; A532-I536 WeakPolarHBondContact O-CG1 3.26Å; A532-I536 PolarHBondContact O-N 2.99Å; A532-F546 HydrophobicContact CB-CD1 4.29Å; A532-F546 HydrophobicContact CB-CD2 3.98Å; A532-F546 HydrophobicContact CB-CE1 4.01Å; A532-F546 HydrophobicContact CB-CE2 3.69Å; A532-F546 HydrophobicContact CB-CG 4.25Å; A532-F546 HydrophobicContact CB-CZ 3.68Å
533	D	97.7	Very high	96.6	Very high	86 Å²	86	54 Å²	54	46%	0.46	30%	0.302	S	S	.	.	H	α-helix	trans	-59.8	-40.4	177.4	-68.4	-17.9	0	0	0	110.9	K529 I536 A537	K529-D533 WeakPolarHBondContact O-CB 3.45Å; K529-D533 VanDerWaalsContact O-CG 3.25Å; K529-D533 PolarHBondContact O-N 3.11Å; D533-I536 PolarHBondContact O-N 3.44Å; D533-A537 WeakPolarHBondContact O-CB 3.41Å; D533-A537 PolarHBondContact O-N 3.2Å
534	K	97.1	Very high	96.7	Very high	85 Å²	85	52.9 Å²	52.9	37%	0.37	30%	0.299	S	S	.	.	H	α-helix	trans	-60	-48.9	173.4	179.6	-175	176.9	-165.2	0	112.1	E472 K530 Y531 A532 I536 A537 D538	E472-K534 IonicContact OE1-NZ 3.8Å; E472-K534 PolarHBondContact OE1-NZ 3Å; E472-K534 IonicContact OE2-NZ 3.05Å; E472-K534 PolarHBondContact OE2-NZ 2.84Å; K530-K534 PolarHBondContact O-N 3.21Å; Y531-K534 HydrophobicContact CD2-CD 4.4Å; Y531-K534 WeakPolarHBondContact O-CB 3.32Å; Y531-K534 PolarHBondContact O-N 3.19Å; A532-K534 VanDerWaalsContact C-N 3.29Å; A532-K534 PolarHBondContact O-N 3.37Å; K534-I536 VanDerWaalsContact C-N 3.3Å; K534-I536 PolarHBondContact O-N 2.85Å; K534-A537 PolarHBondContact O-N 2.86Å; K534-D538 PolarHBondContact O-N 3.44Å
535	L	97.8	Very high	96.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-70.2	-25	-178.6	-67.1	-171.8	0	0	0	113.9	K242 L246 Y531 A532 D538 G539 T540 V541	K242-L535 HydrophobicContact CB-CD1 4.36Å; K242-L535 HydrophobicContact CB-CD2 3.86Å; K242-L535 HydrophobicContact CD-CD2 3.7Å; K242-L535 HydrophobicContact CG-CD2 4.02Å; L246-L535 HydrophobicContact CB-CD1 3.94Å; L246-L535 HydrophobicContact CD1-CD1 4.49Å; L246-L535 HydrophobicContact CD2-CD1 4.06Å; L246-L535 HydrophobicContact CG-CD1 4.39Å; Y531-L535 HydrophobicContact CD1-CD1 4.01Å; Y531-L535 HydrophobicContact CD1-CG 4.39Å; Y531-L535 HydrophobicContact CE1-CD1 3.47Å; Y531-L535 VanDerWaalsContact CE1-CD1 3.47Å; Y531-L535 HydrophobicContact CE1-CD2 4.5Å; Y531-L535 HydrophobicContact CE1-CG 4.04Å; Y531-L535 HydrophobicContact CE2-CD2 4.24Å; Y531-L535 HydrophobicContact CE2-CG 4.32Å; Y531-L535 WeakPolarHBondContact O-CG 3.41Å; Y531-L535 PolarHBondContact O-N 2.82Å; A532-L535 PolarHBondContact O-N 3.25Å; A532-L535 VanDerWaalsContact O-N 3.16Å; L535-D538 WeakPolarHBondContact CA-OD1 3.45Å; L535-G539 PolarHBondContact O-N 2.96Å; L535-T540 HydrophobicContact CD2-CG2 4.27Å; L535-T540 PolarHBondContact O-N 3.03Å; L535-V541 HydrophobicContact CB-CB 4.31Å; L535-V541 HydrophobicContact CB-CG2 4.27Å; L535-V541 HydrophobicContact CD1-CG2 4.13Å; L535-V541 PolarHBondContact O-N 3.25Å; L535-V541 VanDerWaalsContact O-N 3.07Å
536	I	97.8	Very high	96.8	Very high	60 Å²	60	53.3 Å²	53.3	31%	0.308	30%	0.296	S	S	.	.	H	α-helix	trans	-76.2	-43.7	172.8	-68.1	164.7	0	0	0	109.8	A532 D533 K534 D538 G539 V541 L543	A532-I536 VanDerWaalsContact O-CG1 3.29Å; A532-I536 WeakPolarHBondContact O-CG1 3.26Å; A532-I536 PolarHBondContact O-N 2.99Å; D533-I536 PolarHBondContact O-N 3.44Å; K534-I536 VanDerWaalsContact C-N 3.3Å; K534-I536 PolarHBondContact O-N 2.85Å; I536-D538 VanDerWaalsContact C-N 3.32Å; I536-D538 PolarHBondContact O-N 2.93Å; I536-G539 PolarHBondContact O-N 3.49Å; I536-V541 WeakPolarHBondContact CA-O 3.43Å; I536-V541 WeakPolarHBondContact CG1-O 3.46Å; I536-L543 HydrophobicContact CD1-CB 4.47Å; I536-L543 HydrophobicContact CD1-CD1 4.32Å
537	A	97.3	Very high	96.9	Very high	91 Å²	91	56.7 Å²	56.7	75%	0.752	31%	0.308	S	S	*	.	H	α-helix	trans	-63.6	-35.8	179	0	0	0	0	0	113	D533 K534 G539	D533-A537 WeakPolarHBondContact O-CB 3.41Å; D533-A537 PolarHBondContact O-N 3.2Å; K534-A537 PolarHBondContact O-N 2.86Å; A537-G539 VanDerWaalsContact C-N 3.33Å
538	D	95	Very high	96.9	Very high	71 Å²	71	61.6 Å²	61.6	38%	0.38	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-2.3	177	78.1	5.6	0	0	0	114.1	K242 K534 L535 I536 T540	K242-D538 IonicContact NZ-OD2 3.77Å; K242-D538 PolarHBondContact NZ-OD2 2.63Å; K534-D538 PolarHBondContact O-N 3.44Å; L535-D538 WeakPolarHBondContact CA-OD1 3.45Å; I536-D538 VanDerWaalsContact C-N 3.32Å; I536-D538 PolarHBondContact O-N 2.93Å; D538-T540 VanDerWaalsContact C-N 3.3Å; D538-T540 PolarHBondContact O-N 3.03Å; D538-T540 WeakPolarHBondContact OD1-CB 3.47Å; D538-T540 PolarHBondContact OD1-N 3.15Å; D538-T540 PolarHBondContact OD1-OG1 3.36Å; D538-T540 PolarHBondContact OD2-OG1 3.48Å
539	G	95.9	Very high	96.9	Very high	63 Å²	63	62.9 Å²	62.9	65%	0.649	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	10.1	178.6	0	0	0	0	0	114.9	L535 I536 A537	L535-G539 PolarHBondContact O-N 2.96Å; I536-G539 PolarHBondContact O-N 3.49Å; A537-G539 VanDerWaalsContact C-N 3.33Å
540	T	96.8	Very high	96.9	Very high	7 Å²	7	59.1 Å²	59.1	4%	0.043	32%	0.322	C	S	.	.	S	Bend	trans	-67.8	-37	177.6	-57.3	0	0	0	0	111.9	N239 K242 R243 L535 D538	N239-T540 HydrophobicContact CB-CG2 3.97Å; K242-T540 HydrophobicContact CB-CG2 3.98Å; K242-T540 HydrophobicContact CD-CG2 4.08Å; R243-T540 HydrophobicContact CG-CG2 4.31Å; R243-T540 PolarHBondContact NE-O 3.32Å; R243-T540 PolarHBondContact NH2-O 2.88Å; L535-T540 HydrophobicContact CD2-CG2 4.27Å; L535-T540 PolarHBondContact O-N 3.03Å; D538-T540 VanDerWaalsContact C-N 3.3Å; D538-T540 PolarHBondContact O-N 3.03Å; D538-T540 WeakPolarHBondContact OD1-CB 3.47Å; D538-T540 PolarHBondContact OD1-N 3.15Å; D538-T540 PolarHBondContact OD1-OG1 3.36Å; D538-T540 PolarHBondContact OD2-OG1 3.48Å
541	V	96.7	Very high	97	Very high	8 Å²	8	58.1 Å²	58.1	5%	0.048	33%	0.327	C	S	.	.	S	Bend	trans	-137.5	144.3	-177.9	-177.9	0	0	0	0	109.9	R243 L246 L535 I536 E545 F546	R243-V541 HydrophobicContact CG-CG2 3.71Å; L246-V541 HydrophobicContact CD2-CB 4.42Å; L246-V541 HydrophobicContact CD2-CG1 4.05Å; L246-V541 HydrophobicContact CD2-CG2 4.03Å; L535-V541 HydrophobicContact CB-CB 4.31Å; L535-V541 HydrophobicContact CB-CG2 4.27Å; L535-V541 HydrophobicContact CD1-CG2 4.13Å; L535-V541 PolarHBondContact O-N 3.25Å; L535-V541 VanDerWaalsContact O-N 3.07Å; I536-V541 WeakPolarHBondContact CA-O 3.43Å; I536-V541 WeakPolarHBondContact CG1-O 3.46Å; V541-E545 HydrophobicContact CG1-CB 3.77Å; V541-F546 HydrophobicContact CG1-CB 4.43Å
542	T	97	Very high	97	Very high	75 Å²	75	62.5 Å²	62.5	46%	0.46	35%	0.346	S	S	.	.			trans	-89.7	158.1	172.6	64.8	0	0	0	0	111.9	Q544 E545 F546	T542-Q544 PolarHBondContact O-N 2.85Å; T542-E545 PolarHBondContact N-OE2 3.32Å; T542-E545 PolarHBondContact O-N 2.71Å; T542-E545 VanDerWaalsContact OG1-CG 3.25Å; T542-E545 WeakPolarHBondContact OG1-CG 3.44Å; T542-E545 PolarHBondContact OG1-N 3.13Å; T542-E545 PolarHBondContact OG1-OE2 2.79Å; T542-E545 VanDerWaalsContact OG1-OE2 3.08Å; T542-F546 PolarHBondContact O-N 3.31Å; T542-F546 VanDerWaalsContact O-N 3.16Å
543	L	96.6	Very high	96.9	Very high	99 Å²	99	62.6 Å²	62.6	52%	0.518	35%	0.346	S	S	.	.	H	α-helix	trans	-55	-41.7	175.3	178.7	61.7	0	0	0	112	I536 F546 E547	I536-L543 HydrophobicContact CD1-CB 4.47Å; I536-L543 HydrophobicContact CD1-CD1 4.32Å; L543-F546 PolarHBondContact O-N 2.96Å; L543-E547 HydrophobicContact CD1-CG 4.37Å; L543-E547 WeakPolarHBondContact O-CG 3.08Å; L543-E547 PolarHBondContact O-N 3.33Å
544	Q	96.9	Very high	96.9	Very high	129 Å²	129	60.1 Å²	60.1	60%	0.603	33%	0.333	S	S	*	.	H	α-helix	trans	-61	-47.5	178.5	-177.4	-177.6	-12.4	0	0	112	T542 F546 E547 E548	T542-Q544 PolarHBondContact O-N 2.85Å; Q544-F546 VanDerWaalsContact C-N 3.27Å; Q544-F546 PolarHBondContact O-N 2.85Å; Q544-E547 PolarHBondContact O-N 3.1Å; Q544-E548 HydrophobicContact CG-CG 4.46Å; Q544-E548 WeakPolarHBondContact CG-OE1 3.36Å; Q544-E548 PolarHBondContact NE2-OE1 3.32Å; Q544-E548 WeakPolarHBondContact O-CB 3.12Å; Q544-E548 WeakPolarHBondContact O-CG 3.24Å; Q544-E548 PolarHBondContact O-N 3.28Å
545	E	95.6	Very high	97	Very high	67 Å²	67	63.6 Å²	63.6	31%	0.313	34%	0.344	S	S	.	.	H	α-helix	trans	-60.9	-37	178.5	-73.8	172.2	122.8	0	0	112.3	R243 V541 T542 E549	R243-E545 IonicContact CZ-OE1 3.51Å; R243-E545 VanDerWaalsContact CZ-OE1 3.32Å; R243-E545 IonicContact CZ-OE2 2.82Å; R243-E545 VanDerWaalsContact NH1-CD 3.35Å; R243-E545 IonicContact NH1-OE1 3.14Å; R243-E545 PolarHBondContact NH1-OE1 3.47Å; R243-E545 IonicContact NH1-OE2 2.96Å; R243-E545 IonicContact NH2-OE1 2.74Å; R243-E545 PolarHBondContact NH2-OE1 2.99Å; R243-E545 IonicContact NH2-OE2 3.32Å; R243-E545 PolarHBondContact NH2-OE2 3.2Å; V541-E545 HydrophobicContact CG1-CB 3.77Å; T542-E545 PolarHBondContact N-OE2 3.32Å; T542-E545 PolarHBondContact O-N 2.71Å; T542-E545 VanDerWaalsContact OG1-CG 3.25Å; T542-E545 WeakPolarHBondContact OG1-CG 3.44Å; T542-E545 PolarHBondContact OG1-N 3.13Å; T542-E545 PolarHBondContact OG1-OE2 2.79Å; T542-E545 VanDerWaalsContact OG1-OE2 3.08Å; E545-E549 PolarHBondContact O-N 3.19Å; E545-E549 VanDerWaalsContact O-N 3.17Å
546	F	97.1	Very high	96.9	Very high	30 Å²	30	66.4 Å²	66.4	13%	0.132	36%	0.358	C	S	.	.	H	α-helix	trans	-65.8	-47.5	176	172.9	-119.4	0	0	0	112	L246 V250 L528 A532 V541 T542 L543 Q544 E548 E549 I550	L246-F546 HydrophobicContact CD1-CD2 4.1Å; L246-F546 HydrophobicContact CD1-CE2 4.1Å; L246-F546 HydrophobicContact CD2-CD2 4.17Å; L246-F546 HydrophobicContact CG-CD2 4.42Å; V250-F546 HydrophobicContact CG2-CD2 4.46Å; V250-F546 HydrophobicContact CG2-CE2 4.1Å; L528-F546 HydrophobicContact CD1-CE2 4Å; L528-F546 HydrophobicContact CD2-CE2 4.42Å; L528-F546 HydrophobicContact CD2-CZ 4.44Å; L528-F546 HydrophobicContact CG-CE2 4.14Å; L528-F546 HydrophobicContact CG-CZ 4.22Å; A532-F546 HydrophobicContact CB-CD1 4.29Å; A532-F546 HydrophobicContact CB-CD2 3.98Å; A532-F546 HydrophobicContact CB-CE1 4.01Å; A532-F546 HydrophobicContact CB-CE2 3.69Å; A532-F546 HydrophobicContact CB-CG 4.25Å; A532-F546 HydrophobicContact CB-CZ 3.68Å; V541-F546 HydrophobicContact CG1-CB 4.43Å; T542-F546 PolarHBondContact O-N 3.31Å; T542-F546 VanDerWaalsContact O-N 3.16Å; L543-F546 PolarHBondContact O-N 2.96Å; Q544-F546 VanDerWaalsContact C-N 3.27Å; Q544-F546 PolarHBondContact O-N 2.85Å; F546-E548 VanDerWaalsContact C-N 3.31Å; F546-E548 PolarHBondContact O-N 2.8Å; F546-E549 PolarHBondContact O-N 2.99Å; F546-I550 HydrophobicContact CD1-CD1 4.33Å; F546-I550 HydrophobicContact CD2-CD1 4.49Å; F546-I550 HydrophobicContact CE1-CD1 3.8Å; F546-I550 HydrophobicContact CE2-CD1 3.97Å; F546-I550 HydrophobicContact CE2-CG1 4.28Å; F546-I550 HydrophobicContact CZ-CD1 3.62Å; F546-I550 HydrophobicContact CZ-CG1 4.42Å; F546-I550 PolarHBondContact O-N 3.49Å
547	E	96.9	Very high	96.9	Very high	115 Å²	115	63.6 Å²	63.6	54%	0.537	34%	0.343	S	S	.	.	H	α-helix	trans	-62.1	-38.4	177.4	-71.3	178.3	167.6	0	0	112.2	L543 Q544 I550 A551	L543-E547 HydrophobicContact CD1-CG 4.37Å; L543-E547 WeakPolarHBondContact O-CG 3.08Å; L543-E547 PolarHBondContact O-N 3.33Å; Q544-E547 PolarHBondContact O-N 3.1Å; E547-I550 PolarHBondContact O-N 3.22Å; E547-A551 WeakPolarHBondContact O-CB 3.48Å; E547-A551 PolarHBondContact O-N 3.26Å
548	E	97	Very high	96.9	Very high	105 Å²	105	62 Å²	62	49%	0.491	32%	0.321	S	S	.	.	H	α-helix	trans	-63.6	-42.2	176.3	-75.5	175.1	-173.8	0	0	112.4	Q544 F546 I550 A551 K552	Q544-E548 HydrophobicContact CG-CG 4.46Å; Q544-E548 WeakPolarHBondContact CG-OE1 3.36Å; Q544-E548 PolarHBondContact NE2-OE1 3.32Å; Q544-E548 WeakPolarHBondContact O-CB 3.12Å; Q544-E548 WeakPolarHBondContact O-CG 3.24Å; Q544-E548 PolarHBondContact O-N 3.28Å; F546-E548 VanDerWaalsContact C-N 3.31Å; F546-E548 PolarHBondContact O-N 2.8Å; E548-I550 VanDerWaalsContact C-N 3.34Å; E548-I550 PolarHBondContact O-N 3.32Å; E548-A551 PolarHBondContact O-N 3.3Å; E548-K552 VanDerWaalsContact O-CB 3.28Å; E548-K552 WeakPolarHBondContact O-CB 3.43Å; E548-K552 PolarHBondContact O-N 3.37Å
549	E	96.7	Very high	96.9	Very high	37 Å²	37	63.3 Å²	63.3	17%	0.173	32%	0.324	C	S	.	.	H	α-helix	trans	-68.3	-33.7	178.3	-170.7	61.8	-157.6	0	0	111.8	A247 V250 E545 F546 K552 Y553	A247-E549 HydrophobicContact CB-CG 4.21Å; V250-E549 HydrophobicContact CB-CG 4.45Å; V250-E549 HydrophobicContact CG1-CG 4.32Å; V250-E549 HydrophobicContact CG2-CG 4.42Å; E545-E549 PolarHBondContact O-N 3.19Å; E545-E549 VanDerWaalsContact O-N 3.17Å; F546-E549 PolarHBondContact O-N 2.99Å; E549-K552 IonicContact OE1-NZ 2.97Å; E549-K552 WeakPolarHBondContact OE2-CD 3.41Å; E549-K552 IonicContact OE2-NZ 2.74Å; E549-K552 PolarHBondContact OE2-NZ 2.9Å; E549-Y553 PolarHBondContact O-N 3.45Å
550	I	97.8	Very high	96.9	Very high	35 Å²	35	60.3 Å²	60.3	18%	0.179	29%	0.293	C	S	.	.	H	α-helix	trans	-62.3	-55.1	170.6	-66.5	175.6	0	0	0	110.3	V250 R254 F546 E547 E548 K552 Y553 D554	V250-I550 HydrophobicContact CG1-CG1 4.11Å; V250-I550 HydrophobicContact CG2-CG1 4.38Å; R254-I550 HydrophobicContact CG-CG2 4.28Å; F546-I550 HydrophobicContact CD1-CD1 4.33Å; F546-I550 HydrophobicContact CD2-CD1 4.49Å; F546-I550 HydrophobicContact CE1-CD1 3.8Å; F546-I550 HydrophobicContact CE2-CD1 3.97Å; F546-I550 HydrophobicContact CE2-CG1 4.28Å; F546-I550 HydrophobicContact CZ-CD1 3.62Å; F546-I550 HydrophobicContact CZ-CG1 4.42Å; F546-I550 PolarHBondContact O-N 3.49Å; E547-I550 PolarHBondContact O-N 3.22Å; E548-I550 VanDerWaalsContact C-N 3.34Å; E548-I550 PolarHBondContact O-N 3.32Å; I550-K552 PolarHBondContact O-N 3.3Å; I550-Y553 PolarHBondContact O-N 3.13Å; I550-Y553 VanDerWaalsContact O-N 3.1Å; I550-D554 PolarHBondContact O-N 3.17Å
551	A	97.6	Very high	96.7	Very high	50 Å²	50	62.3 Å²	62.3	41%	0.413	30%	0.3	S	S	.	.	H	α-helix	trans	-58.7	-35.8	-176.1	0	0	0	0	0	112.1	E547 E548 R555	E547-A551 WeakPolarHBondContact O-CB 3.48Å; E547-A551 PolarHBondContact O-N 3.26Å; E548-A551 PolarHBondContact O-N 3.3Å; A551-R555 WeakPolarHBondContact O-CB 3.26Å; A551-R555 PolarHBondContact O-N 2.73Å; A551-R555 VanDerWaalsContact O-N 3.11Å
552	K	97.3	Very high	96.6	Very high	97 Å²	97	65.9 Å²	65.9	42%	0.422	32%	0.323	S	S	.	.	H	α-helix	trans	-62.6	-46.6	175.7	175.1	-176.5	170.2	-166.8	0	112.6	E548 E549 I550 I556	E548-K552 VanDerWaalsContact O-CB 3.28Å; E548-K552 WeakPolarHBondContact O-CB 3.43Å; E548-K552 PolarHBondContact O-N 3.37Å; E549-K552 IonicContact OE1-NZ 2.97Å; E549-K552 WeakPolarHBondContact OE2-CD 3.41Å; E549-K552 IonicContact OE2-NZ 2.74Å; E549-K552 PolarHBondContact OE2-NZ 2.9Å; I550-K552 PolarHBondContact O-N 3.3Å; K552-I556 WeakPolarHBondContact O-CG1 3.43Å; K552-I556 PolarHBondContact O-N 3.09Å
553	Y	97.1	Very high	96.3	Very high	5 Å²	5	67.3 Å²	67.3	2%	0.02	32%	0.319	C	S	.	.	H	α-helix	trans	-73.9	-36.9	-179.5	-169.2	-105.6	0	0	0	112.4	R251 R254 F255 N311 E549 I550 R555 I556 C557	R251-Y553 HydrophobicContact CB-CD2 4.26Å; R251-Y553 HydrophobicContact CB-CE1 4.41Å; R251-Y553 HydrophobicContact CB-CE2 3.99Å; R251-Y553 HydrophobicContact CG-CD2 3.6Å; R251-Y553 HydrophobicContact CG-CE2 3.72Å; R251-Y553 HydrophobicContact CG-CG 4.06Å; R251-Y553 VanDerWaalsContact O-CE1 3.25Å; R251-Y553 WeakPolarHBondContact O-CE1 3.34Å; R254-Y553 HydrophobicContact CB-CD1 3.65Å; R254-Y553 HydrophobicContact CB-CE1 4.21Å; F255-Y553 HydrophobicContact CB-CE1 3.96Å; N311-Y553 PolarHBondContact ND2-OH 3.27Å; N311-Y553 VanDerWaalsContact ND2-OH 3.12Å; N311-Y553 PolarHBondContact OD1-OH 3.21Å; E549-Y553 PolarHBondContact O-N 3.45Å; I550-Y553 PolarHBondContact O-N 3.13Å; I550-Y553 VanDerWaalsContact O-N 3.1Å; Y553-R555 VanDerWaalsContact C-N 3.26Å; Y553-R555 PolarHBondContact O-N 3.27Å; Y553-I556 HydrophobicContact CD2-CD1 4.31Å; Y553-I556 WeakPolarHBondContact O-CB 3.35Å; Y553-I556 PolarHBondContact O-N 2.88Å; Y553-I556 VanDerWaalsContact O-N 3.1Å; Y553-C557 VanDerWaalsContact CE1-SG 3.55Å; Y553-C557 PolarHBondContact O-N 3.17Å
554	D	97.3	Very high	95.9	Very high	33 Å²	33	63 Å²	63	18%	0.176	30%	0.297	C	S	.	.	H	α-helix	trans	-57.2	-41.5	173.6	-75.1	-8.5	0	0	0	111.6	R254 I550 C557 E558	R254-D554 IonicContact CZ-OD1 3.49Å; R254-D554 IonicContact CZ-OD2 2.8Å; R254-D554 IonicContact NE-OD1 3.72Å; R254-D554 PolarHBondContact NE-OD1 2.96Å; R254-D554 IonicContact NE-OD2 3.64Å; R254-D554 VanDerWaalsContact NH2-CG 3.33Å; R254-D554 IonicContact NH2-OD1 2.89Å; R254-D554 PolarHBondContact NH2-OD1 3.23Å; R254-D554 IonicContact NH2-OD2 3.52Å; R254-D554 PolarHBondContact NH2-OD2 2.84Å; I550-D554 PolarHBondContact O-N 3.17Å; D554-C557 PolarHBondContact O-N 3.14Å; D554-E558 PolarHBondContact O-N 2.55Å
555	R	97.9	Very high	95.4	Very high	159 Å²	159	61.9 Å²	61.9	60%	0.6	29%	0.291	S	S	*	.	H	α-helix	trans	-60	-45.7	174.8	-169.9	-174.5	-54.7	169.6	4.6	112	A551 Y553 C557 E558 E559	A551-R555 WeakPolarHBondContact O-CB 3.26Å; A551-R555 PolarHBondContact O-N 2.73Å; A551-R555 VanDerWaalsContact O-N 3.11Å; Y553-R555 VanDerWaalsContact C-N 3.26Å; Y553-R555 PolarHBondContact O-N 3.27Å; R555-C557 VanDerWaalsContact C-N 3.29Å; R555-C557 PolarHBondContact O-N 3.02Å; R555-E558 PolarHBondContact O-N 3.27Å; R555-E559 WeakPolarHBondContact CD-OE1 3.39Å; R555-E559 HydrophobicContact CG-CG 4.39Å; R555-E559 WeakPolarHBondContact CG-OE1 3.11Å; R555-E559 WeakPolarHBondContact O-CB 3.34Å; R555-E559 WeakPolarHBondContact O-CG 3.14Å; R555-E559 PolarHBondContact O-N 2.74Å
556	I	96.8	Very high	94.8	Very high	59 Å²	59	64.9 Å²	64.9	30%	0.303	31%	0.309	S	S	.	.	H	α-helix	trans	-57.2	-44.4	177.2	-68.5	167.9	0	0	0	110.7	L317 K552 Y553 A560	L317-I556 HydrophobicContact CD1-CG2 3.78Å; K552-I556 WeakPolarHBondContact O-CG1 3.43Å; K552-I556 PolarHBondContact O-N 3.09Å; Y553-I556 HydrophobicContact CD2-CD1 4.31Å; Y553-I556 WeakPolarHBondContact O-CB 3.35Å; Y553-I556 PolarHBondContact O-N 2.88Å; Y553-I556 VanDerWaalsContact O-N 3.1Å; I556-A560 WeakPolarHBondContact O-CB 3.24Å; I556-A560 PolarHBondContact O-N 3.07Å; I556-A560 VanDerWaalsContact O-N 3.1Å
557	C	97.2	Very high	93.5	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-67.7	-43.7	179	-68.4	0	0	0	0	112.7	F258 Y553 D554 R555 A560 Y561	F258-C557 HydrophobicContact CB-CB 4.42Å; F258-C557 HydrophobicContact CD1-CB 4.04Å; F258-C557 HydrophobicContact CD2-CB 3.39Å; F258-C557 HydrophobicContact CE1-CB 4.12Å; F258-C557 HydrophobicContact CE2-CB 3.48Å; F258-C557 VanDerWaalsContact CE2-CB 3.48Å; F258-C557 HydrophobicContact CG-CB 3.7Å; F258-C557 HydrophobicContact CZ-CB 3.86Å; F258-C557 WeakPolarHBondContact CZ-O 3.4Å; Y553-C557 VanDerWaalsContact CE1-SG 3.55Å; Y553-C557 PolarHBondContact O-N 3.17Å; D554-C557 PolarHBondContact O-N 3.14Å; R555-C557 VanDerWaalsContact C-N 3.29Å; R555-C557 PolarHBondContact O-N 3.02Å; C557-A560 PolarHBondContact O-N 3.03Å; C557-Y561 WeakPolarHBondContact O-CB 3.4Å; C557-Y561 PolarHBondContact O-N 3.34Å
558	E	97.2	Very high	91.9	Very high	58 Å²	58	68.3 Å²	68.3	27%	0.271	33%	0.325	S	S	.	.	H	α-helix	trans	-64.7	-40.6	178.2	-72	-64.2	169.7	0	0	112.6	F258 R261 K262 D554 R555 Y561 T562	F258-E558 HydrophobicContact CE2-CG 3.9Å; F258-E558 WeakPolarHBondContact CE2-OE1 3.37Å; R261-E558 IonicContact CZ-OE1 3.16Å; R261-E558 VanDerWaalsContact CZ-OE1 3.26Å; R261-E558 IonicContact NH1-OE1 3.98Å; R261-E558 PolarHBondContact NH1-OE1 3.43Å; R261-E558 IonicContact NH2-OE1 3.58Å; R261-E558 PolarHBondContact NH2-OE1 3.49Å; K262-E558 VanDerWaalsContact CE-OE1 3.24Å; K262-E558 WeakPolarHBondContact CE-OE1 3.44Å; K262-E558 WeakPolarHBondContact CE-OE2 3.31Å; K262-E558 VanDerWaalsContact NZ-CD 3.33Å; K262-E558 IonicContact NZ-OE1 2.7Å; K262-E558 PolarHBondContact NZ-OE1 2.84Å; K262-E558 VanDerWaalsContact NZ-OE1 3.11Å; K262-E558 IonicContact NZ-OE2 3.34Å; K262-E558 PolarHBondContact NZ-OE2 3.29Å; D554-E558 PolarHBondContact O-N 2.55Å; R555-E558 PolarHBondContact O-N 3.27Å; E558-Y561 PolarHBondContact O-N 3.12Å; E558-T562 PolarHBondContact O-N 3.32Å; E558-T562 PolarHBondContact O-OG1 3.18Å
559	E	96.2	Very high	90.2	Very high	98 Å²	98	67.9 Å²	67.9	46%	0.458	33%	0.325	S	S	.	.	H	α-helix	trans	-63	-46.9	175.6	-73.8	174.6	-171.7	0	0	111.4	R555 T562 R563	R555-E559 WeakPolarHBondContact CD-OE1 3.39Å; R555-E559 HydrophobicContact CG-CG 4.39Å; R555-E559 WeakPolarHBondContact CG-OE1 3.11Å; R555-E559 WeakPolarHBondContact O-CB 3.34Å; R555-E559 WeakPolarHBondContact O-CG 3.14Å; R555-E559 PolarHBondContact O-N 2.74Å; E559-T562 WeakPolarHBondContact O-CB 3.22Å; E559-T562 PolarHBondContact O-N 2.83Å; E559-R563 PolarHBondContact O-N 3.19Å; E559-R563 VanDerWaalsContact O-N 3.08Å
560	A	94.4	Very high	88.7	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-65.3	-38.1	177.6	0	0	0	0	0	112.8	L317 F321 I556 C557 T562 R563 S564	L317-A560 HydrophobicContact CB-CB 3.45Å; L317-A560 VanDerWaalsContact CB-CB 3.45Å; L317-A560 HydrophobicContact CD1-CB 4.09Å; L317-A560 HydrophobicContact CG-CB 4.42Å; F321-A560 HydrophobicContact CD2-CB 4.19Å; F321-A560 HydrophobicContact CE2-CB 3.94Å; I556-A560 WeakPolarHBondContact O-CB 3.24Å; I556-A560 PolarHBondContact O-N 3.07Å; I556-A560 VanDerWaalsContact O-N 3.1Å; C557-A560 PolarHBondContact O-N 3.03Å; A560-T562 VanDerWaalsContact C-N 3.31Å; A560-T562 PolarHBondContact O-N 3.21Å; A560-R563 PolarHBondContact O-N 3.08Å; A560-S564 WeakPolarHBondContact O-CB 3.37Å; A560-S564 PolarHBondContact O-N 3.32Å
561	Y	94.3	Very high	87.1	Confident	49 Å²	49	68.4 Å²	68.4	19%	0.192	33%	0.328	C	S	.	.	H	α-helix	trans	-62.2	-40.2	173.9	172.4	-106.9	0	0	0	111.8	F258 K262 W263 C557 E558 S564	F258-Y561 HydrophobicContact CZ-CG 4.15Å; K262-Y561 HydrophobicContact CD-CD1 4.36Å; K262-Y561 HydrophobicContact CD-CE1 4.14Å; K262-Y561 HydrophobicContact CD-CE2 4.43Å; W263-Y561 AromaticContact CH2-CD2 3.68Å; W263-Y561 HydrophobicContact CH2-CD2 3.68Å; W263-Y561 AromaticContact CH2-CE2 3.97Å; W263-Y561 HydrophobicContact CH2-CE2 3.97Å; W263-Y561 AromaticContact CZ2-CD2 3.78Å; W263-Y561 HydrophobicContact CZ2-CD2 3.78Å; W263-Y561 AromaticContact CZ2-CE2 3.61Å; W263-Y561 HydrophobicContact CZ2-CE2 3.61Å; C557-Y561 WeakPolarHBondContact O-CB 3.4Å; C557-Y561 PolarHBondContact O-N 3.34Å; E558-Y561 PolarHBondContact O-N 3.12Å; Y561-S564 PolarHBondContact O-N 3.44Å; Y561-S564 PolarHBondContact O-OG 2.82Å
562	T	93.8	Very high	85.4	Confident	84 Å²	84	66.4 Å²	66.4	52%	0.515	31%	0.31	S	S	.	.	H	α-helix	trans	-61.7	-48.1	175.7	-57.1	0	0	0	0	110.9	E558 E559 A560 S564 K565	E558-T562 PolarHBondContact O-N 3.32Å; E558-T562 PolarHBondContact O-OG1 3.18Å; E559-T562 WeakPolarHBondContact O-CB 3.22Å; E559-T562 PolarHBondContact O-N 2.83Å; A560-T562 VanDerWaalsContact C-N 3.31Å; A560-T562 PolarHBondContact O-N 3.21Å; T562-S564 VanDerWaalsContact C-N 3.31Å; T562-S564 PolarHBondContact O-N 3.33Å; T562-K565 PolarHBondContact O-N 3.3Å
563	R	90.9	Very high	83.8	Confident	104 Å²	104	64.2 Å²	64.2	39%	0.392	30%	0.3	S	S	.	.	H	α-helix	trans	-63	-33.4	176.2	-67.4	-166.4	-59.6	-83.9	-3.4	113.5	E318 E559 A560 K565 D566	E318-R563 HydrophobicContact CB-CB 4.31Å; E318-R563 IonicContact OE1-CZ 3.29Å; E318-R563 IonicContact OE1-NE 2.89Å; E318-R563 PolarHBondContact OE1-NE 3.37Å; E318-R563 IonicContact OE1-NH2 2.62Å; E318-R563 PolarHBondContact OE1-NH2 2.86Å; E318-R563 IonicContact OE2-CZ 3.44Å; E318-R563 IonicContact OE2-NE 2.85Å; E318-R563 IonicContact OE2-NH2 3.2Å; E318-R563 PolarHBondContact OE2-NH2 2.88Å; E559-R563 PolarHBondContact O-N 3.19Å; E559-R563 VanDerWaalsContact O-N 3.08Å; A560-R563 PolarHBondContact O-N 3.08Å; R563-K565 PolarHBondContact O-N 3.37Å; R563-K565 VanDerWaalsContact O-N 3.14Å; R563-D566 PolarHBondContact O-N 3.05Å; R563-D566 VanDerWaalsContact O-N 3.14Å
564	S	88.9	Confident	82.4	Confident	8 Å²	8	68.3 Å²	68.3	6%	0.056	32%	0.32	C	S	.	.	H	α-helix	trans	-60.9	-24.6	-178	74.3	0	0	0	0	113.9	E318 A560 Y561 T562 D566 N567	E318-S564 WeakPolarHBondContact O-CB 3.4Å; A560-S564 WeakPolarHBondContact O-CB 3.37Å; A560-S564 PolarHBondContact O-N 3.32Å; Y561-S564 PolarHBondContact O-N 3.44Å; Y561-S564 PolarHBondContact O-OG 2.82Å; T562-S564 VanDerWaalsContact C-N 3.31Å; T562-S564 PolarHBondContact O-N 3.33Å; S564-D566 VanDerWaalsContact C-N 3.25Å; S564-D566 PolarHBondContact O-N 2.88Å; S564-N567 PolarHBondContact O-N 3.27Å
565	K	85.9	Confident	81.2	Confident	106 Å²	106	67.2 Å²	67.2	46%	0.461	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-21.2	179.5	-63.7	178.7	179.5	-179.3	0	113.6	T562 R563	T562-K565 PolarHBondContact O-N 3.3Å; R563-K565 PolarHBondContact O-N 3.37Å; R563-K565 VanDerWaalsContact O-N 3.14Å
566	D	81.8	Confident	80.3	Confident	131 Å²	131	61.4 Å²	61.4	70%	0.701	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-18.8	178.5	-60.2	-33.2	0	0	0	111.5	R563 S564 K568	R563-D566 PolarHBondContact O-N 3.05Å; R563-D566 VanDerWaalsContact O-N 3.14Å; S564-D566 VanDerWaalsContact C-N 3.25Å; S564-D566 PolarHBondContact O-N 2.88Å; D566-K568 PolarHBondContact O-N 3.36Å
567	N	70.4	Confident	79.2	Confident	69 Å²	69	58.7 Å²	58.7	37%	0.369	28%	0.28	S	S	.	.			trans	-87.3	84.8	178.5	-71	-28.9	0	0	0	111.1	C322 S564	C322-N567 HydrophobicContact CB-CB 4.32Å; S564-N567 PolarHBondContact O-N 3.27Å
568	K	63.9	Low	78.3	Confident	147 Å²	147	59.5 Å²	59.5	64%	0.639	29%	0.285	S	S	*	.			trans	-88.5	-7.4	-178.3	-63.8	-175.1	179.9	177.2	0	115.2	E329 D566	E329-K568 PolarHBondContact N-O 3.33Å; D566-K568 PolarHBondContact O-N 3.36Å
569	I	61.1	Low	77.2	Confident	96 Å²	96	59.1 Å²	59.1	49%	0.492	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.1	-174.5	-64.4	178	0	0	0	109.7	A331	A331-I569 HydrophobicContact CB-CG2 3.15Å
570	L	64.1	Low	76.8	Confident	27 Å²	27	55.3 Å²	55.3	14%	0.141	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.8	173	-179.3	57.6	0	0	0	111.1	L328 E329 A331	L328-L570 HydrophobicContact CD1-CB 4.08Å; L328-L570 HydrophobicContact CD2-CB 3.88Å; L328-L570 HydrophobicContact CD2-CD2 3.98Å; L328-L570 HydrophobicContact CD2-CG 4.41Å; L328-L570 HydrophobicContact CG-CB 3.92Å; E329-L570 PolarHBondContact O-N 3.45Å; A331-L570 PolarHBondContact N-O 3.08Å; A331-L570 VanDerWaalsContact N-O 3.09Å
571	H	66	Low	76.1	Confident	57 Å²	57	61.1 Å²	61.1	26%	0.264	31%	0.307	S	S	.	.			trans	-101.4	109.2	164.6	-65.8	-71.3	0	0	0	109.5	D332 K573 H574	D332-H571 IonicContact OD1-CE1 2.9Å; D332-H571 IonicContact OD1-CG 3.64Å; D332-H571 IonicContact OD1-ND1 3.68Å; D332-H571 PolarHBondContact OD1-ND1 3.02Å; D332-H571 WeakPolarHBondContact OD2-CA 3.37Å; D332-H571 WeakPolarHBondContact OD2-CB 3.15Å; D332-H571 IonicContact OD2-ND1 3.15Å; H571-K573 HydrophobicContact CB-CG 4.07Å; H571-K573 PolarHBondContact O-N 2.95Å; H571-H574 AromaticContact CD2-CE1 3.68Å; H571-H574 AromaticContact CG-CE1 3.9Å; H571-H574 WeakPolarHBondContact O-CB 3.42Å; H571-H574 PolarHBondContact O-N 2.95Å
572	I	61.6	Low	75.6	Confident	7 Å²	7	61.5 Å²	61.5	4%	0.036	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-62.7	-29.8	178.1	-57.2	166.1	0	0	0	109.9	D332 H574 W575 V761	D332-I572 PolarHBondContact OD2-N 3.39Å; I572-H574 PolarHBondContact O-N 2.97Å; I572-H574 VanDerWaalsContact O-N 3.08Å; I572-W575 WeakPolarHBondContact O-CB 3.44Å; I572-W575 PolarHBondContact O-N 3.42Å; I572-V761 HydrophobicContact CB-CG2 3.74Å; I572-V761 HydrophobicContact CG2-CB 4.36Å; I572-V761 HydrophobicContact CG2-CG2 3.56Å
573	K	63.1	Low	75.4	Confident	51 Å²	51	59.1 Å²	59.1	22%	0.222	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-61	-16.4	173.3	67.7	-175.3	163	178.2	0	114.4	D332 H571 W575 L576 D587	D332-K573 WeakPolarHBondContact OD2-CG 3.22Å; D332-K573 PolarHBondContact OD2-N 3.29Å; D332-K573 VanDerWaalsContact OD2-N 3.08Å; H571-K573 HydrophobicContact CB-CG 4.07Å; H571-K573 PolarHBondContact O-N 2.95Å; K573-W575 PolarHBondContact O-N 3.17Å; K573-L576 HydrophobicContact CB-CD1 4.14Å; K573-L576 HydrophobicContact CB-CG 4.46Å; K573-L576 WeakPolarHBondContact O-CD1 3.44Å; K573-L576 WeakPolarHBondContact O-CG 3.38Å; K573-D587 WeakPolarHBondContact CD-O 3.42Å; K573-D587 PolarHBondContact NZ-O 2.93Å
574	H	68.4	Low	75.3	Confident	92 Å²	92	55.7 Å²	55.7	43%	0.426	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-76.6	-5	172.3	-63.1	171.9	0	0	0	113.4	K315 H571 I572	K315-H574 PolarHBondContact NZ-O 3.22Å; H571-H574 AromaticContact CD2-CE1 3.68Å; H571-H574 AromaticContact CG-CE1 3.9Å; H571-H574 WeakPolarHBondContact O-CB 3.42Å; H571-H574 PolarHBondContact O-N 2.95Å; I572-H574 PolarHBondContact O-N 2.97Å; I572-H574 VanDerWaalsContact O-N 3.08Å
575	W	71.1	Confident	75.1	Confident	9 Å²	9	58 Å²	58	3%	0.034	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-111.1	25.1	178.6	-58.9	88.6	0	0	0	111.1	L309 K315 Q319 I320 Q323 L342 G343 I572 K573 D577 R762	L309-W575 HydrophobicContact CD1-CZ3 4.19Å; L309-W575 HydrophobicContact CD2-CZ3 4.48Å; K315-W575 HydrophobicContact CD-CH2 4.2Å; K315-W575 HydrophobicContact CD-CZ3 4.15Å; K315-W575 VanDerWaalsContact CE-CZ2 3.42Å; K315-W575 VanDerWaalsContact CE-CZ3 3.47Å; K315-W575 HydrophobicContact CG-CH2 3.81Å; K315-W575 HydrophobicContact CG-CZ3 3.87Å; Q319-W575 HydrophobicContact CB-CZ2 4.39Å; I320-W575 HydrophobicContact CG1-CH2 4.19Å; Q323-W575 HydrophobicContact CG-CZ2 4.29Å; L342-W575 HydrophobicContact CB-CB 4.2Å; L342-W575 HydrophobicContact CB-CD2 4.01Å; L342-W575 HydrophobicContact CB-CE3 3.74Å; L342-W575 HydrophobicContact CB-CG 4.23Å; L342-W575 HydrophobicContact CB-CZ3 4.41Å; L342-W575 HydrophobicContact CD1-CD2 3.74Å; L342-W575 HydrophobicContact CD1-CE3 4.08Å; L342-W575 HydrophobicContact CD1-CG 3.99Å; L342-W575 HydrophobicContact CD1-CZ2 4.34Å; L342-W575 HydrophobicContact CG-CD2 4.49Å; G343-W575 CarbonylContact C-O 3.35Å; G343-W575 VanDerWaalsContact C-O 3.25Å; G343-W575 CarbonylContact O-C 3.58Å; G343-W575 WeakPolarHBondContact O-CA 3.41Å; G343-W575 WeakPolarHBondContact O-CB 3.46Å; I572-W575 WeakPolarHBondContact O-CB 3.44Å; I572-W575 PolarHBondContact O-N 3.42Å; K573-W575 PolarHBondContact O-N 3.17Å; W575-D577 PolarHBondContact O-N 3.01Å; W575-R762 PolarHBondContact O-NH2 3.45Å
576	L	78.7	Confident	74.6	Confident	38 Å²	38	59.9 Å²	59.9	20%	0.199	33%	0.328	C	S	.	.			trans	-72.2	129.4	176.9	-64.3	171.9	0	0	0	110.7	M344 Y345 K573 P579 V761 R762	M344-L576 CarbonylContact C-O 3.55Å; Y345-L576 WeakPolarHBondContact CB-O 3.48Å; Y345-L576 PolarHBondContact N-O 3.33Å; K573-L576 HydrophobicContact CB-CD1 4.14Å; K573-L576 HydrophobicContact CB-CG 4.46Å; K573-L576 WeakPolarHBondContact O-CD1 3.44Å; K573-L576 WeakPolarHBondContact O-CG 3.38Å; L576-P579 HydrophobicContact CB-CB 4.5Å; L576-V761 HydrophobicContact CD2-CB 4.23Å; L576-V761 WeakPolarHBondContact CD2-O 3.43Å; L576-R762 VanDerWaalsContact CA-NH2 3.26Å; L576-R762 VanDerWaalsContact CB-NH1 3.26Å
577	D	73.6	Confident	74.2	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	32%	0.32	C	S	.	.	S	Bend	trans	-94.8	-21.9	175.7	60.6	35.4	0	0	0	110.9	S360 L361 M362 A363 K378 W575 M725 R762	S360-D577 PolarHBondContact OG-O 3.37Å; L361-D577 VanDerWaalsContact O-CB 3.31Å; L361-D577 WeakPolarHBondContact O-CB 3.41Å; M362-D577 HydrophobicContact CE-CB 3.44Å; M362-D577 VanDerWaalsContact CE-CB 3.44Å; M362-D577 WeakPolarHBondContact CE-OD1 3.37Å; M362-D577 VanDerWaalsContact CE-OD2 3.23Å; M362-D577 WeakPolarHBondContact CE-OD2 3.21Å; A363-D577 PolarHBondContact N-OD2 3.45Å; K378-D577 VanDerWaalsContact NZ-C 3.31Å; K378-D577 PolarHBondContact NZ-O 2.86Å; K378-D577 IonicContact NZ-OD1 2.84Å; W575-D577 PolarHBondContact O-N 3.01Å; D577-M725 WeakPolarHBondContact OD1-CE 3.45Å; D577-R762 IonicContact OD1-CZ 2.69Å; D577-R762 IonicContact OD1-NE 2.92Å; D577-R762 PolarHBondContact OD1-NE 3.27Å; D577-R762 IonicContact OD1-NH1 2.61Å; D577-R762 PolarHBondContact OD1-NH1 3.16Å; D577-R762 IonicContact OD1-NH2 3.53Å; D577-R762 PolarHBondContact OD1-NH2 2.69Å; D577-R762 IonicContact OD2-CZ 3.33Å; D577-R762 VanDerWaalsContact OD2-CZ 3.23Å; D577-R762 IonicContact OD2-NE 3.23Å; D577-R762 PolarHBondContact OD2-NE 2.94Å; D577-R762 IonicContact OD2-NH2 2.92Å; D577-R762 PolarHBondContact OD2-NH2 2.95Å
578	S	78.1	Confident	74.5	Confident	17 Å²	17	56.5 Å²	56.5	12%	0.119	32%	0.317	C	S	.	.	S	Bend	trans	-132.9	94.4	172	-75	0	0	0	0	109.7	K378 M725	K378-S578 VanDerWaalsContact CE-OG 3.22Å; K378-S578 WeakPolarHBondContact CE-OG 3.47Å; K378-S578 PolarHBondContact NZ-OG 3.02Å; S578-M725 WeakPolarHBondContact CB-O 3.39Å; S578-M725 PolarHBondContact OG-O 3.43Å
579	P	74.8	Confident	75.4	Confident	50 Å²	50	54.5 Å²	54.5	33%	0.325	31%	0.311	S	S	.	.			trans	-87.2	-3.8	-170.6	31.1	-34.7	0	0	0	116.2	Y345 L576	Y345-P579 HydrophobicContact CD1-CG 4.04Å; Y345-P579 HydrophobicContact CE1-CG 4.37Å; Y345-P579 HydrophobicContact CG-CG 4.14Å; L576-P579 HydrophobicContact CB-CB 4.5Å
580	W	86.8	Confident	76.7	Confident	19 Å²	19	50.7 Å²	50.7	7%	0.072	29%	0.292	C	S	.	.			trans	37.5	68	-176.5	-64.6	-14.3	0	0	0	115.2	G582 F583 F584 M725 P728 H763 R841	W580-G582 PolarHBondContact O-N 2.94Å; W580-F583 HydrophobicContact CB-CB 4.03Å; W580-F583 AromaticContact CE3-CD1 3.89Å; W580-F583 HydrophobicContact CE3-CD1 3.89Å; W580-F583 HydrophobicContact CE3-CE1 4.24Å; W580-F583 HydrophobicContact CZ3-CD1 4.44Å; W580-F583 HydrophobicContact CZ3-CE1 4.35Å; W580-F583 WeakPolarHBondContact O-CB 3.43Å; W580-F583 PolarHBondContact O-N 3.3Å; W580-F583 VanDerWaalsContact O-N 3.11Å; W580-F584 AromaticContact CE3-CE2 3.89Å; W580-F584 HydrophobicContact CE3-CE2 3.89Å; W580-F584 HydrophobicContact CE3-CZ 4.35Å; W580-F584 HydrophobicContact CZ3-CE2 4.45Å; W580-M725 PolarHBondContact NE1-O 3.4Å; W580-P728 HydrophobicContact CB-CG 4.21Å; W580-P728 HydrophobicContact CD2-CB 3.75Å; W580-P728 HydrophobicContact CD2-CG 3.89Å; W580-P728 HydrophobicContact CE3-CB 3.59Å; W580-P728 HydrophobicContact CE3-CG 4.13Å; W580-P728 HydrophobicContact CG-CB 4.35Å; W580-P728 HydrophobicContact CG-CG 3.95Å; W580-P728 HydrophobicContact CH2-CB 4.18Å; W580-P728 HydrophobicContact CZ2-CB 4.32Å; W580-P728 HydrophobicContact CZ3-CB 3.82Å; W580-H763 HydrophobicContact CH2-CB 4.08Å; W580-H763 HydrophobicContact CZ3-CB 3.69Å; W580-R841 HydrophobicContact CH2-CB 3.83Å; W580-R841 HydrophobicContact CH2-CG 3.66Å; W580-R841 HydrophobicContact CZ3-CB 3.93Å; W580-R841 HydrophobicContact CZ3-CG 3.67Å
581	P	80	Confident	77.9	Confident	121 Å²	121	56.1 Å²	56.1	79%	0.786	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	127.3	-175.7	-24.7	34.2	0	0	0	112.5	F583	P581-F583 VanDerWaalsContact C-N 3.31Å; P581-F583 PolarHBondContact O-N 3.3Å
582	G	84.6	Confident	79	Confident	57 Å²	57	55.9 Å²	55.9	59%	0.588	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	-0.1	176.5	0	0	0	0	0	115.5	W580 K591	W580-G582 PolarHBondContact O-N 2.94Å; G582-K591 VanDerWaalsContact O-CE 3.3Å; G582-K591 WeakPolarHBondContact O-CE 3.39Å; G582-K591 PolarHBondContact O-NZ 2.99Å
583	F	90	Very high	80.5	Confident	35 Å²	35	57.7 Å²	57.7	15%	0.154	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-47.8	171.9	-171.7	-108.4	0	0	0	111.5	W580 P581 K591 P728 P839	W580-F583 HydrophobicContact CB-CB 4.03Å; W580-F583 AromaticContact CE3-CD1 3.89Å; W580-F583 HydrophobicContact CE3-CD1 3.89Å; W580-F583 HydrophobicContact CE3-CE1 4.24Å; W580-F583 HydrophobicContact CZ3-CD1 4.44Å; W580-F583 HydrophobicContact CZ3-CE1 4.35Å; W580-F583 WeakPolarHBondContact O-CB 3.43Å; W580-F583 PolarHBondContact O-N 3.3Å; W580-F583 VanDerWaalsContact O-N 3.11Å; P581-F583 VanDerWaalsContact C-N 3.31Å; P581-F583 PolarHBondContact O-N 3.3Å; F583-K591 VanDerWaalsContact O-CE 3.31Å; F583-K591 WeakPolarHBondContact O-CE 3.19Å; F583-P728 HydrophobicContact CB-CG 4.04Å; F583-P728 HydrophobicContact CD1-CB 4Å; F583-P728 HydrophobicContact CD1-CG 4.37Å; F583-P728 HydrophobicContact CD2-CB 3.71Å; F583-P728 HydrophobicContact CD2-CG 3.71Å; F583-P728 HydrophobicContact CE1-CB 4.04Å; F583-P728 HydrophobicContact CE2-CB 3.77Å; F583-P728 HydrophobicContact CE2-CG 4.26Å; F583-P728 HydrophobicContact CG-CB 3.84Å; F583-P728 HydrophobicContact CG-CG 3.78Å; F583-P728 HydrophobicContact CZ-CB 3.94Å; F583-P839 WeakPolarHBondContact CE1-O 3.5Å
584	F	87.9	Confident	81.8	Confident	31 Å²	31	58.7 Å²	58.7	14%	0.136	34%	0.342	C	S	.	.	S	Bend	trans	-92	170	174.3	-62.7	-62	0	0	0	112.8	W580 E589 H763 F840	W580-F584 AromaticContact CE3-CE2 3.89Å; W580-F584 HydrophobicContact CE3-CE2 3.89Å; W580-F584 HydrophobicContact CE3-CZ 4.35Å; W580-F584 HydrophobicContact CZ3-CE2 4.45Å; F584-E589 WeakPolarHBondContact CA-O 3.28Å; F584-E589 WeakPolarHBondContact CB-O 3.33Å; F584-H763 AromaticContact CE2-CD2 3.95Å; F584-H763 HydrophobicContact CZ-CB 4.31Å; F584-H763 AromaticContact CZ-CD2 3.57Å; F584-H763 AromaticContact CZ-CG 3.77Å; F584-H763 AromaticContact CZ-NE2 3.9Å; F584-F840 HydrophobicContact CE1-CB 4.3Å
585	N	84.4	Confident	83	Confident	56 Å²	56	56 Å²	56	30%	0.299	33%	0.333	S	S	.	.			trans	-73.3	179.8	167.3	73.3	10.2	0	0	0	111.1	D587 G588 E589	N585-D587 PolarHBondContact O-N 3.46Å; N585-D587 WeakPolarHBondContact OD1-CA 3.43Å; N585-D587 PolarHBondContact OD1-N 3.07Å; N585-G588 PolarHBondContact O-N 3.05Å; N585-G588 VanDerWaalsContact O-N 3.13Å; N585-G588 PolarHBondContact OD1-N 3.41Å; N585-E589 PolarHBondContact N-O 3.43Å; N585-E589 PolarHBondContact OD1-N 3.27Å; N585-E589 PolarHBondContact OD1-O 2.99Å
586	V	76.2	Confident	84.1	Confident	146 Å²	146	58.6 Å²	58.6	89%	0.885	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-27.5	-178	-179.6	0	0	0	0	112	G588	V586-G588 VanDerWaalsContact C-N 3.3Å
587	D	74.3	Confident	85	Confident	98 Å²	98	60.5 Å²	60.5	52%	0.524	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-6.5	180	-61.1	-54.8	0	0	0	113.3	K573 N585	K573-D587 WeakPolarHBondContact CD-O 3.42Å; K573-D587 PolarHBondContact NZ-O 2.93Å; N585-D587 PolarHBondContact O-N 3.46Å; N585-D587 WeakPolarHBondContact OD1-CA 3.43Å; N585-D587 PolarHBondContact OD1-N 3.07Å
588	G	75.5	Confident	86.2	Confident	31 Å²	31	60.4 Å²	60.4	32%	0.32	37%	0.365	S	S	.	.	S	Bend	trans	90.4	10.4	179.8	0	0	0	0	0	114.2	N585 V586	N585-G588 PolarHBondContact O-N 3.05Å; N585-G588 VanDerWaalsContact O-N 3.13Å; N585-G588 PolarHBondContact OD1-N 3.41Å; V586-G588 VanDerWaalsContact C-N 3.3Å
589	E	83.8	Confident	87.2	Confident	106 Å²	106	60.1 Å²	60.1	50%	0.495	37%	0.365	S	S	.	.	S	Bend	trans	-97.9	160.2	-177.7	-57.4	175.9	157.8	0	0	112.2	F584 N585	F584-E589 WeakPolarHBondContact CA-O 3.28Å; F584-E589 WeakPolarHBondContact CB-O 3.33Å; N585-E589 PolarHBondContact N-O 3.43Å; N585-E589 PolarHBondContact OD1-N 3.27Å; N585-E589 PolarHBondContact OD1-O 2.99Å
590	P	87.8	Confident	88.3	Confident	15 Å²	15	58.1 Å²	58.1	10%	0.097	35%	0.351	C	S	.	.			trans	-56.5	142.2	172.6	-23.4	34.3	0	0	0	112.4	S592 M593 Y813 P839 F840	P590-S592 WeakPolarHBondContact CB-O 3.3Å; P590-S592 PolarHBondContact O-N 3.35Å; P590-M593 HydrophobicContact CB-SD 4.22Å; P590-M593 HydrophobicContact CG-SD 4.21Å; P590-Y813 HydrophobicContact CG-CD2 3.79Å; P590-Y813 HydrophobicContact CG-CE2 3.42Å; P590-Y813 VanDerWaalsContact CG-CE2 3.42Å; P590-P839 HydrophobicContact CB-CB 4.21Å; P590-P839 HydrophobicContact CB-CG 4.39Å; P590-F840 HydrophobicContact CG-CB 4.27Å; P590-F840 HydrophobicContact CG-CD1 4.05Å
591	K	88.4	Confident	88.8	Confident	141 Å²	141	59.4 Å²	59.4	61%	0.613	36%	0.363	S	S	*	.	S	Bend	trans	-71.8	-20	177.7	-64.4	-179	-176.1	175.3	0	113.7	G582 F583	G582-K591 VanDerWaalsContact O-CE 3.3Å; G582-K591 WeakPolarHBondContact O-CE 3.39Å; G582-K591 PolarHBondContact O-NZ 2.99Å; F583-K591 VanDerWaalsContact O-CE 3.31Å; F583-K591 WeakPolarHBondContact O-CE 3.19Å
592	S	90.5	Very high	89.7	Confident	53 Å²	53	56.7 Å²	56.7	37%	0.371	34%	0.34	S	S	.	.			trans	-151	157	175.3	62.7	0	0	0	0	109.7	P590 P839	P590-S592 WeakPolarHBondContact CB-O 3.3Å; P590-S592 PolarHBondContact O-N 3.35Å; S592-P839 WeakPolarHBondContact O-CB 3.4Å; S592-P839 WeakPolarHBondContact O-CG 3.11Å
593	M	91.6	Very high	90.3	Very high	45 Å²	45	60.3 Å²	60.3	22%	0.222	35%	0.345	C	S	.	.	S	Bend	trans	-109.4	47.1	173.1	-68.8	-58.5	-69.7	0	0	110.7	P590 V809 Y813	P590-M593 HydrophobicContact CB-SD 4.22Å; P590-M593 HydrophobicContact CG-SD 4.21Å; M593-V809 HydrophobicContact CE-CG1 4.23Å; M593-Y813 HydrophobicContact CE-CD1 4.44Å; M593-Y813 HydrophobicContact CE-CG 4.2Å
594	S	91.5	Very high	90.7	Very high	72 Å²	72	60.6 Å²	60.6	50%	0.503	35%	0.349	S	S	.	.			trans	-132.6	146.8	179.6	60.2	0	0	0	0	110.8
595	C	93.3	Very high	91.2	Very high	36 Å²	36	59.1 Å²	59.1	24%	0.243	34%	0.342	C	S	.	.			trans	-120.3	121.3	171.8	-175.7	0	0	0	0	108.2	V809 L838	C595-V809 HydrophobicContact CB-CG2 3.96Å; C595-L838 HydrophobicContact CB-CD2 4.23Å
596	P	95.1	Very high	91.9	Very high	63 Å²	63	58.7 Å²	58.7	41%	0.409	34%	0.341	S	S	.	.			trans	-67.8	158.9	176.9	29.2	-34.4	0	0	0	111.4	T598 L837	P596-T598 PolarHBondContact O-N 3.19Å; P596-L837 HydrophobicContact CG-CB 4.19Å; P596-L837 HydrophobicContact CG-CD2 4.22Å
597	P	97.3	Very high	93	Very high	77 Å²	77	54.9 Å²	54.9	50%	0.5	31%	0.314	S	S	.	.			trans	-52.7	141	168.9	-24.9	34.1	0	0	0	111	T869	P597-T869 WeakPolarHBondContact CB-O 3.18Å
598	T	98.1	Very high	94.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.289	C	S	.	.			trans	-99.3	-3.8	-170.2	55.5	0	0	0	0	112.6	P596 H830 R833 R834 L837 T869	P596-T598 PolarHBondContact O-N 3.19Å; T598-H830 PolarHBondContact OG1-ND1 3.25Å; T598-R833 HydrophobicContact CG2-CB 4.4Å; T598-R833 WeakPolarHBondContact O-CD 3.37Å; T598-R833 PolarHBondContact O-NE 2.94Å; T598-R834 HydrophobicContact CG2-CB 4.03Å; T598-L837 HydrophobicContact CG2-CD1 3.75Å; T598-T869 PolarHBondContact N-O 3.45Å
599	G	98.4	Very high	95.2	Very high	11 Å²	11	48.7 Å²	48.7	11%	0.113	27%	0.274	C	S	.	.			trans	-63.2	158.4	172	0	0	0	0	0	114.1	M865 V866 T869	G599-M865 CarbonylContact C-O 3.6Å; G599-M865 WeakPolarHBondContact CA-O 3.4Å; G599-V866 WeakPolarHBondContact CA-O 3.2Å; G599-T869 WeakPolarHBondContact CA-OG1 3.25Å; G599-T869 PolarHBondContact N-O 3.48Å
600	I	98.5	Very high	95.9	Very high	7 Å²	7	47 Å²	47	4%	0.036	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-124.2	171.2	178.1	68	179	0	0	0	111.6	L604 L605 I608 F829 R833 M865 V866 S867	I600-L604 HydrophobicContact CB-CD1 4.38Å; I600-L604 HydrophobicContact CD1-CB 3.93Å; I600-L604 HydrophobicContact CG1-CB 4.37Å; I600-L605 HydrophobicContact CD1-CD2 3.59Å; I600-L605 HydrophobicContact CD1-CG 3.97Å; I600-L605 HydrophobicContact CG1-CD1 4.5Å; I600-L605 HydrophobicContact CG1-CD2 3.73Å; I600-L605 HydrophobicContact CG1-CG 3.77Å; I600-I608 HydrophobicContact CD1-CD1 4.44Å; I600-F829 HydrophobicContact CD1-CE2 4.3Å; I600-F829 HydrophobicContact CD1-CZ 4.05Å; I600-F829 HydrophobicContact CG1-CZ 4.01Å; I600-F829 HydrophobicContact CG2-CZ 4.23Å; I600-R833 VanDerWaalsContact CG2-NH2 3.29Å; I600-M865 PolarHBondContact N-O 3.1Å; I600-V866 CarbonylContact O-C 3.55Å; I600-V866 WeakPolarHBondContact O-CA 3.37Å; I600-S867 PolarHBondContact O-N 2.97Å
601	S	98.3	Very high	96.4	Very high	47 Å²	47	47.1 Å²	47.1	33%	0.329	27%	0.268	S	S	.	.			trans	-66.5	147.9	176.3	67.8	0	0	0	0	111.8	D603 L604 L605	S601-D603 PolarHBondContact O-N 3.06Å; S601-L604 WeakPolarHBondContact O-CB 3.13Å; S601-L604 PolarHBondContact O-N 2.79Å; S601-L604 VanDerWaalsContact O-N 3.08Å; S601-L604 WeakPolarHBondContact OG-CG 3.43Å; S601-L604 PolarHBondContact OG-N 3.14Å; S601-L605 PolarHBondContact O-N 2.74Å
602	E	98.2	Very high	96.8	Very high	63 Å²	63	40.5 Å²	40.5	29%	0.294	24%	0.24	S	C	.	.	H	α-helix	trans	-60.7	-34.9	177.2	-177	172	165.4	0	0	112.8	L604 L605 T606 R640 F862 V866	E602-L604 VanDerWaalsContact C-N 3.25Å; E602-L604 PolarHBondContact O-N 3.07Å; E602-L605 PolarHBondContact O-N 3.13Å; E602-T606 WeakPolarHBondContact O-CB 3.43Å; E602-T606 PolarHBondContact O-N 2.94Å; E602-T606 PolarHBondContact O-OG1 2.94Å; E602-R640 IonicContact OE1-CZ 2.94Å; E602-R640 VanDerWaalsContact OE1-CZ 3.31Å; E602-R640 IonicContact OE1-NE 3.61Å; E602-R640 IonicContact OE1-NH1 3.95Å; E602-R640 PolarHBondContact OE1-NH1 3.06Å; E602-R640 IonicContact OE1-NH2 3.37Å; E602-R640 IonicContact OE2-CZ 2.81Å; E602-R640 VanDerWaalsContact OE2-CZ 3.29Å; E602-R640 IonicContact OE2-NH1 3.48Å; E602-R640 PolarHBondContact OE2-NH1 3.11Å; E602-R640 IonicContact OE2-NH2 3.07Å; E602-R640 PolarHBondContact OE2-NH2 3.42Å; E602-F862 HydrophobicContact CG-CD2 4.11Å; E602-V866 HydrophobicContact CB-CG1 4.07Å
603	D	98.2	Very high	97.1	Very high	133 Å²	133	38.7 Å²	38.7	71%	0.711	23%	0.227	S	C	*	.	H	α-helix	trans	-58.9	-38.7	175.3	-67.7	-22.7	0	0	0	111.6	S601 H607	S601-D603 PolarHBondContact O-N 3.06Å; D603-H607 VanDerWaalsContact O-CB 3.24Å; D603-H607 WeakPolarHBondContact O-CB 3.42Å; D603-H607 PolarHBondContact O-N 3.37Å
604	L	98.1	Very high	97.3	Very high	42 Å²	42	38.4 Å²	38.4	22%	0.22	23%	0.23	C	C	.	.	H	α-helix	trans	-68.3	-44.8	175.8	-73.2	173.5	0	0	0	111.4	I600 S601 E602 T606 H607 I608 K657 W698	I600-L604 HydrophobicContact CB-CD1 4.38Å; I600-L604 HydrophobicContact CD1-CB 3.93Å; I600-L604 HydrophobicContact CG1-CB 4.37Å; S601-L604 WeakPolarHBondContact O-CB 3.13Å; S601-L604 PolarHBondContact O-N 2.79Å; S601-L604 VanDerWaalsContact O-N 3.08Å; S601-L604 WeakPolarHBondContact OG-CG 3.43Å; S601-L604 PolarHBondContact OG-N 3.14Å; E602-L604 VanDerWaalsContact C-N 3.25Å; E602-L604 PolarHBondContact O-N 3.07Å; L604-T606 VanDerWaalsContact C-N 3.32Å; L604-T606 PolarHBondContact O-N 2.63Å; L604-H607 PolarHBondContact O-N 3.06Å; L604-I608 WeakPolarHBondContact O-CB 3.4Å; L604-I608 WeakPolarHBondContact O-CD1 3.31Å; L604-I608 WeakPolarHBondContact O-CG1 3.23Å; L604-I608 PolarHBondContact O-N 3.45Å; L604-K657 HydrophobicContact CD2-CG 4.36Å; L604-W698 HydrophobicContact CD2-CH2 4.33Å; L604-W698 HydrophobicContact CD2-CZ2 3.75Å
605	L	98.6	Very high	97.6	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-56.5	-49.6	175.6	-66.7	173.3	0	0	0	110.7	I600 S601 E602 I608 G609 M650 F829 F862 M865 V866	I600-L605 HydrophobicContact CD1-CD2 3.59Å; I600-L605 HydrophobicContact CD1-CG 3.97Å; I600-L605 HydrophobicContact CG1-CD1 4.5Å; I600-L605 HydrophobicContact CG1-CD2 3.73Å; I600-L605 HydrophobicContact CG1-CG 3.77Å; S601-L605 PolarHBondContact O-N 2.74Å; E602-L605 PolarHBondContact O-N 3.13Å; L605-I608 PolarHBondContact O-N 2.82Å; L605-G609 PolarHBondContact O-N 2.91Å; L605-M650 HydrophobicContact CB-CE 4.4Å; L605-M650 HydrophobicContact CB-SD 4.31Å; L605-M650 HydrophobicContact CD2-CB 4Å; L605-M650 HydrophobicContact CD2-CG 4.07Å; L605-M650 HydrophobicContact CD2-SD 3.62Å; L605-M650 WeakPolarHBondContact O-CE 3.48Å; L605-F829 HydrophobicContact CD2-CE2 4.36Å; L605-F829 HydrophobicContact CD2-CZ 4.44Å; L605-F862 HydrophobicContact CB-CD2 3.95Å; L605-F862 HydrophobicContact CB-CE2 3.66Å; L605-F862 HydrophobicContact CB-CZ 4.13Å; L605-F862 HydrophobicContact CD1-CB 4.17Å; L605-F862 HydrophobicContact CD1-CD2 3.94Å; L605-F862 HydrophobicContact CD1-CE2 4.47Å; L605-F862 HydrophobicContact CD1-CG 3.99Å; L605-M865 HydrophobicContact CD1-CB 4.1Å; L605-M865 HydrophobicContact CD2-CE 3.73Å; L605-V866 HydrophobicContact CD1-CG1 4.25Å
606	T	98.6	Very high	97.6	Very high	46 Å²	46	37.8 Å²	37.8	28%	0.282	22%	0.223	S	C	.	.	H	α-helix	trans	-62.6	-46.7	-179.5	-58.6	0	0	0	0	111.7	E602 L604 G609 N610	E602-T606 WeakPolarHBondContact O-CB 3.43Å; E602-T606 PolarHBondContact O-N 2.94Å; E602-T606 PolarHBondContact O-OG1 2.94Å; L604-T606 VanDerWaalsContact C-N 3.32Å; L604-T606 PolarHBondContact O-N 2.63Å; T606-G609 PolarHBondContact O-N 3.41Å; T606-N610 WeakPolarHBondContact O-CB 3.44Å; T606-N610 PolarHBondContact O-N 3.04Å; T606-N610 PolarHBondContact O-ND2 3.15Å; T606-N610 VanDerWaalsContact O-ND2 3.13Å
607	H	98.4	Very high	97.5	Very high	66 Å²	66	37 Å²	37	31%	0.306	22%	0.216	S	C	.	.	H	α-helix	trans	-59.5	-51	177.3	177.1	74.9	0	0	0	112	D603 L604 G609 N610 V611 L697 W698	D603-H607 VanDerWaalsContact O-CB 3.24Å; D603-H607 WeakPolarHBondContact O-CB 3.42Å; D603-H607 PolarHBondContact O-N 3.37Å; L604-H607 PolarHBondContact O-N 3.06Å; H607-G609 VanDerWaalsContact C-N 3.35Å; H607-G609 PolarHBondContact O-N 3.45Å; H607-N610 PolarHBondContact O-N 3.45Å; H607-V611 PolarHBondContact O-N 3.26Å; H607-V611 VanDerWaalsContact O-N 3.13Å; H607-L697 PolarHBondContact CE1-O 3.42Å; H607-L697 PolarHBondContact NE2-O 2.88Å; H607-W698 AromaticContact CD2-CE2 3.48Å; H607-W698 VanDerWaalsContact CD2-CE2 3.48Å; H607-W698 AromaticContact CD2-CZ2 3.26Å; H607-W698 WeakPolarHBondContact CD2-CZ2 3.4Å; H607-W698 AromaticContact CD2-NE1 3.61Å; H607-W698 AromaticContact NE2-CD1 3.94Å; H607-W698 AromaticContact NE2-CE2 3.48Å; H607-W698 AromaticContact NE2-CZ2 3.76Å; H607-W698 AromaticContact NE2-NE1 3.35Å; H607-W698 PolarHBondContact NE2-NE1 3.21Å
608	I	98.6	Very high	97.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.7	-44.2	-179.6	-64.2	161.7	0	0	0	110.4	I600 L604 L605 N610 V611 A612 Y649 M650 L697 W698	I600-I608 HydrophobicContact CD1-CD1 4.44Å; L604-I608 WeakPolarHBondContact O-CB 3.4Å; L604-I608 WeakPolarHBondContact O-CD1 3.31Å; L604-I608 WeakPolarHBondContact O-CG1 3.23Å; L604-I608 PolarHBondContact O-N 3.45Å; L605-I608 PolarHBondContact O-N 2.82Å; I608-N610 VanDerWaalsContact C-N 3.33Å; I608-N610 PolarHBondContact O-N 3.04Å; I608-V611 PolarHBondContact O-N 2.7Å; I608-A612 WeakPolarHBondContact O-CB 3.45Å; I608-A612 PolarHBondContact O-N 3.26Å; I608-Y649 HydrophobicContact CG2-CD1 3.6Å; I608-Y649 HydrophobicContact CG2-CE1 4Å; I608-M650 HydrophobicContact CB-CG 4.45Å; I608-M650 HydrophobicContact CG2-CG 4.17Å; I608-L697 HydrophobicContact CB-CD2 4.26Å; I608-L697 HydrophobicContact CG1-CD2 4.14Å; I608-L697 HydrophobicContact CG2-CD2 4.12Å; I608-W698 HydrophobicContact CD1-CH2 4.08Å; I608-W698 HydrophobicContact CG1-CH2 3.75Å; I608-W698 HydrophobicContact CG1-CZ2 4.36Å
609	G	98.3	Very high	97.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.6	-38.4	177.9	0	0	0	0	0	113.3	L605 T606 H607 A612 S613	L605-G609 PolarHBondContact O-N 2.91Å; T606-G609 PolarHBondContact O-N 3.41Å; H607-G609 VanDerWaalsContact C-N 3.35Å; H607-G609 PolarHBondContact O-N 3.45Å; G609-A612 PolarHBondContact O-N 3.19Å; G609-S613 WeakPolarHBondContact O-CB 3.33Å; G609-S613 PolarHBondContact O-N 3.21Å; G609-S613 PolarHBondContact O-OG 3.29Å
610	N	98.3	Very high	97	Very high	69 Å²	69	49.5 Å²	49.5	37%	0.369	27%	0.267	S	S	.	.	H	α-helix	trans	-63	-45.4	174.4	-74.2	-30.8	0	0	0	111.8	T606 H607 I608 S613 S614	T606-N610 WeakPolarHBondContact O-CB 3.44Å; T606-N610 PolarHBondContact O-N 3.04Å; T606-N610 PolarHBondContact O-ND2 3.15Å; T606-N610 VanDerWaalsContact O-ND2 3.13Å; H607-N610 PolarHBondContact O-N 3.45Å; I608-N610 VanDerWaalsContact C-N 3.33Å; I608-N610 PolarHBondContact O-N 3.04Å; N610-S613 CarbonylContact O-C 3.18Å; N610-S613 PolarHBondContact O-N 3.23Å; N610-S614 PolarHBondContact O-N 2.86Å
611	V	97.9	Very high	96.9	Very high	18 Å²	18	54.2 Å²	54.2	11%	0.109	29%	0.287	C	S	.	.	H	α-helix	trans	-67.3	-42	178	177	0	0	0	0	111.3	H607 I608 S613 S614 P693 L697	H607-V611 PolarHBondContact O-N 3.26Å; H607-V611 VanDerWaalsContact O-N 3.13Å; I608-V611 PolarHBondContact O-N 2.7Å; V611-S613 PolarHBondContact O-N 3.5Å; V611-S614 PolarHBondContact O-N 3.21Å; V611-S614 PolarHBondContact O-OG 3.48Å; V611-P693 WeakPolarHBondContact CG1-O 3.29Å; V611-L697 HydrophobicContact CB-CD2 3.59Å; V611-L697 HydrophobicContact CG1-CD2 3.72Å; V611-L697 HydrophobicContact CG1-CG 4.34Å; V611-L697 HydrophobicContact CG2-CD2 3.97Å
612	A	97.3	Very high	96.8	Very high	2 Å²	2	53.7 Å²	53.7	2%	0.017	28%	0.28	C	S	.	.	H	α-helix	trans	-58.7	-17.9	175.1	0	0	0	0	0	113.9	I608 G609 L630 R633 L646 Y649	I608-A612 WeakPolarHBondContact O-CB 3.45Å; I608-A612 PolarHBondContact O-N 3.26Å; G609-A612 PolarHBondContact O-N 3.19Å; A612-L630 WeakPolarHBondContact O-CD2 3.47Å; A612-R633 WeakPolarHBondContact O-CD 3.49Å; A612-R633 PolarHBondContact O-NH1 2.95Å; A612-L646 HydrophobicContact CB-CD1 4.08Å; A612-Y649 HydrophobicContact CB-CD1 3.5Å; A612-Y649 HydrophobicContact CB-CD2 3.9Å; A612-Y649 HydrophobicContact CB-CE1 3.5Å; A612-Y649 HydrophobicContact CB-CE2 3.9Å; A612-Y649 HydrophobicContact CB-CG 3.71Å
613	S	97.3	Very high	96.8	Very high	15 Å²	15	55.2 Å²	55.2	11%	0.105	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	10.5	-179.5	-52.9	0	0	0	0	113	G609 N610 V611 L630 R633 L634	G609-S613 WeakPolarHBondContact O-CB 3.33Å; G609-S613 PolarHBondContact O-N 3.21Å; G609-S613 PolarHBondContact O-OG 3.29Å; N610-S613 CarbonylContact O-C 3.18Å; N610-S613 PolarHBondContact O-N 3.23Å; V611-S613 PolarHBondContact O-N 3.5Å; S613-L630 WeakPolarHBondContact CB-O 3.4Å; S613-R633 WeakPolarHBondContact OG-CB 3.38Å; S613-L634 WeakPolarHBondContact OG-CA 3.46Å; S613-L634 PolarHBondContact OG-N 2.83Å
614	S	95.8	Very high	96.6	Very high	40 Å²	40	52.7 Å²	52.7	28%	0.28	29%	0.285	S	S	.	.	S	Bend	trans	-125.6	170.5	-171.6	78.2	0	0	0	0	112.8	N610 V611	N610-S614 PolarHBondContact O-N 2.86Å; V611-S614 PolarHBondContact O-N 3.21Å; V611-S614 PolarHBondContact O-OG 3.48Å
615	V	96.6	Very high	96.5	Very high	43 Å²	43	51.8 Å²	51.8	26%	0.261	29%	0.286	S	S	.	.			trans	-120.8	97.8	169.2	-173.7	0	0	0	0	106.7	V617 F620 I622 L630 L681	V615-V617 PolarHBondContact O-N 3.01Å; V615-V617 VanDerWaalsContact O-N 3.16Å; V615-F620 HydrophobicContact CG1-CB 3.83Å; V615-F620 HydrophobicContact CG1-CD1 3.77Å; V615-F620 HydrophobicContact CG1-CG 3.93Å; V615-I622 HydrophobicContact CB-CG2 4.48Å; V615-I622 HydrophobicContact CG1-CG2 4.12Å; V615-I622 HydrophobicContact CG2-CD1 3.95Å; V615-I622 HydrophobicContact CG2-CG2 3.53Å; V615-L630 HydrophobicContact CG2-CD1 3.86Å; V615-L681 HydrophobicContact CG1-CD1 4.46Å; V615-L681 HydrophobicContact CG2-CD1 4.04Å
616	P	93.8	Very high	96.3	Very high	52 Å²	52	52.9 Å²	52.9	34%	0.338	29%	0.292	S	S	.	.			trans	-77	2.7	-170	29.1	-34.5	0	0	0	114.2	P693 H696	P616-P693 HydrophobicContact CG-CB 4.11Å; P616-H696 HydrophobicContact CB-CB 3.86Å; P616-H696 HydrophobicContact CG-CB 3.76Å
617	V	92.9	Very high	96.2	Very high	45 Å²	45	52.5 Å²	52.5	27%	0.273	29%	0.291	S	S	.	.	S	Bend	trans	-105.5	132.3	-178.4	179.7	0	0	0	0	110	V615 F620 C691	V615-V617 PolarHBondContact O-N 3.01Å; V615-V617 VanDerWaalsContact O-N 3.16Å; V617-F620 HydrophobicContact CB-CB 4.24Å; V617-F620 HydrophobicContact CB-CD2 4.25Å; V617-F620 HydrophobicContact CG1-CB 4.33Å; V617-F620 HydrophobicContact CG1-CD2 4.18Å; V617-C691 HydrophobicContact CG2-CB 3.99Å; V617-C691 WeakPolarHBondContact CG2-SG 3.44Å
618	K	92.6	Very high	96.1	Very high	178 Å²	178	58.2 Å²	58.2	77%	0.774	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	147.9	175.7	-65.9	-174.5	-178.9	-179.9	0	111.3	F620 R689	K618-F620 PolarHBondContact O-N 3.39Å; K618-R689 PolarHBondContact O-NH2 3.15Å
619	D	93.6	Very high	96	Very high	150 Å²	150	60.6 Å²	60.6	80%	0.802	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	38.1	175.8	-49.8	-47.6	0	0	0	113.1	R689	D619-R689 PolarHBondContact O-NH1 2.9Å
620	F	96.8	Very high	95.9	Very high	23 Å²	23	61.1 Å²	61.1	10%	0.101	33%	0.325	C	S	.	.			trans	-103.4	115.9	-179.1	-167	-78.3	0	0	0	110.7	V615 V617 K618 I622 L681 H682 D683 R689 C691	V615-F620 HydrophobicContact CG1-CB 3.83Å; V615-F620 HydrophobicContact CG1-CD1 3.77Å; V615-F620 HydrophobicContact CG1-CG 3.93Å; V617-F620 HydrophobicContact CB-CB 4.24Å; V617-F620 HydrophobicContact CB-CD2 4.25Å; V617-F620 HydrophobicContact CG1-CB 4.33Å; V617-F620 HydrophobicContact CG1-CD2 4.18Å; K618-F620 PolarHBondContact O-N 3.39Å; F620-I622 HydrophobicContact CD1-CG2 3.63Å; F620-I622 HydrophobicContact CE1-CG2 3.82Å; F620-I622 PolarHBondContact O-N 3.33Å; F620-L681 HydrophobicContact CE1-CB 4Å; F620-L681 HydrophobicContact CZ-CB 4.12Å; F620-L681 WeakPolarHBondContact CZ-O 3.18Å; F620-H682 VanDerWaalsContact CZ-C 3.44Å; F620-D683 HydrophobicContact CD2-CB 4.32Å; F620-D683 HydrophobicContact CE1-CB 4.26Å; F620-D683 HydrophobicContact CE2-CB 3.95Å; F620-D683 HydrophobicContact CZ-CB 3.92Å; F620-R689 HydrophobicContact CD2-CG 4.48Å; F620-R689 HydrophobicContact CE2-CG 4.17Å; F620-C691 HydrophobicContact CD2-CB 4.17Å; F620-C691 HydrophobicContact CE2-CB 3.68Å; F620-C691 HydrophobicContact CZ-CB 3.95Å
621	K	96.8	Very high	95.9	Very high	107 Å²	107	65.7 Å²	65.7	47%	0.465	34%	0.337	S	S	.	.			trans	-85.3	102.4	-178.6	-173.5	72.6	170.8	-162.8	0	111	D683 Q684 E685	K621-D683 PolarHBondContact N-OD2 2.97Å; K621-D683 CarbonylContact O-C 3.4Å; K621-D683 WeakPolarHBondContact O-CA 3.28Å; K621-Q684 HydrophobicContact CB-CB 4.39Å; K621-Q684 HydrophobicContact CG-CB 3.9Å; K621-Q684 HydrophobicContact CG-CG 4.47Å; K621-Q684 WeakPolarHBondContact O-CG 3.47Å; K621-Q684 PolarHBondContact O-N 2.94Å; K621-E685 HydrophobicContact CB-CB 4.43Å; K621-E685 HydrophobicContact CB-CG 4.17Å; K621-E685 WeakPolarHBondContact CE-OE1 3.34Å; K621-E685 HydrophobicContact CG-CG 4.02Å; K621-E685 IonicContact NZ-OE1 3.49Å
622	I	96.4	Very high	95.8	Very high	35 Å²	35	67.1 Å²	67.1	18%	0.179	35%	0.35	C	S	.	.			trans	-82.9	151.1	173.5	59.8	168.4	0	0	0	113.2	V615 F620 S627 L630 L681	V615-I622 HydrophobicContact CB-CG2 4.48Å; V615-I622 HydrophobicContact CG1-CG2 4.12Å; V615-I622 HydrophobicContact CG2-CD1 3.95Å; V615-I622 HydrophobicContact CG2-CG2 3.53Å; F620-I622 HydrophobicContact CD1-CG2 3.63Å; F620-I622 HydrophobicContact CE1-CG2 3.82Å; F620-I622 PolarHBondContact O-N 3.33Å; I622-S627 WeakPolarHBondContact CD1-OG 3.49Å; I622-L630 HydrophobicContact CD1-CD1 4.08Å; I622-L681 HydrophobicContact CG2-CD1 4.48Å
623	H	97.2	Very high	95.9	Very high	96 Å²	96	67.3 Å²	67.3	44%	0.444	35%	0.351	S	S	.	.			trans	-63	136.7	170.5	-176	-96	0	0	0	111.5	G625 L626 S627 Q684	H623-G625 VanDerWaalsContact C-N 3.25Å; H623-G625 PolarHBondContact ND1-N 3.2Å; H623-G625 PolarHBondContact O-N 3.48Å; H623-L626 HydrophobicContact CB-CD1 4.18Å; H623-L626 HydrophobicContact CB-CG 4.22Å; H623-L626 WeakPolarHBondContact O-CA 3.5Å; H623-L626 WeakPolarHBondContact O-CB 3.44Å; H623-L626 PolarHBondContact O-N 3.09Å; H623-S627 PolarHBondContact O-N 3.34Å; H623-S627 PolarHBondContact O-OG 3.45Å; H623-Q684 HydrophobicContact CB-CG 4.12Å; H623-Q684 PolarHBondContact CD2-OE1 3.31Å
624	A	94.8	Very high	95.9	Very high	79 Å²	79	69 Å²	69	65%	0.653	36%	0.359	S	S	*	.	H	α-helix	trans	-58.7	-34.5	-175.4	0	0	0	0	0	113.6	L626 S627 R628	A624-L626 VanDerWaalsContact C-N 3.32Å; A624-L626 PolarHBondContact O-N 3.47Å; A624-S627 WeakPolarHBondContact O-CB 3.32Å; A624-S627 PolarHBondContact O-N 3.29Å; A624-R628 PolarHBondContact O-N 3.37Å
625	G	95.3	Very high	96.1	Very high	24 Å²	24	71.1 Å²	71.1	25%	0.247	36%	0.364	C	S	.	.	H	α-helix	trans	-63.3	-35.9	174.1	0	0	0	0	0	113.3	H623 R628 I629	H623-G625 VanDerWaalsContact C-N 3.25Å; H623-G625 PolarHBondContact ND1-N 3.2Å; H623-G625 PolarHBondContact O-N 3.48Å; G625-R628 PolarHBondContact O-N 3.35Å; G625-I629 PolarHBondContact O-N 2.81Å
626	L	95.7	Very high	96.1	Very high	23 Å²	23	70.2 Å²	70.2	12%	0.12	36%	0.357	C	S	.	.	H	α-helix	trans	-71.5	-36.5	176.2	-66.7	177.3	0	0	0	111.2	H623 A624 R628 I629 L630 H678 L681	H623-L626 HydrophobicContact CB-CD1 4.18Å; H623-L626 HydrophobicContact CB-CG 4.22Å; H623-L626 WeakPolarHBondContact O-CA 3.5Å; H623-L626 WeakPolarHBondContact O-CB 3.44Å; H623-L626 PolarHBondContact O-N 3.09Å; A624-L626 VanDerWaalsContact C-N 3.32Å; A624-L626 PolarHBondContact O-N 3.47Å; L626-R628 PolarHBondContact O-N 3.39Å; L626-I629 HydrophobicContact CD2-CD1 4.27Å; L626-I629 PolarHBondContact O-N 3.49Å; L626-L630 WeakPolarHBondContact O-CG 3.45Å; L626-L630 PolarHBondContact O-N 3.33Å; L626-H678 HydrophobicContact CD2-CB 4.32Å; L626-H678 VanDerWaalsContact CD2-CE1 3.45Å; L626-H678 WeakPolarHBondContact CD2-CE1 3.15Å; L626-H678 VanDerWaalsContact CD2-ND1 3.33Å; L626-H678 WeakPolarHBondContact CD2-ND1 2.95Å; L626-L681 HydrophobicContact CD1-CD2 4.26Å
627	S	95.8	Very high	96.3	Very high	38 Å²	38	68 Å²	68	27%	0.266	34%	0.342	S	S	.	.	H	α-helix	trans	-55.2	-36.3	174.8	-45.9	0	0	0	0	112.2	I622 H623 A624 R631	I622-S627 WeakPolarHBondContact CD1-OG 3.49Å; H623-S627 PolarHBondContact O-N 3.34Å; H623-S627 PolarHBondContact O-OG 3.45Å; A624-S627 WeakPolarHBondContact O-CB 3.32Å; A624-S627 PolarHBondContact O-N 3.29Å; S627-R631 WeakPolarHBondContact O-CB 3.47Å; S627-R631 PolarHBondContact O-N 3.27Å
628	R	95.9	Very high	96.6	Very high	185 Å²	185	71.6 Å²	71.6	70%	0.698	36%	0.355	S	S	*	.	H	α-helix	trans	-68.6	-40.9	175.2	-176.4	176.9	61.6	172.6	-0.9	112.3	A624 G625 L626 R631 A632	A624-R628 PolarHBondContact O-N 3.37Å; G625-R628 PolarHBondContact O-N 3.35Å; L626-R628 PolarHBondContact O-N 3.39Å; R628-R631 PolarHBondContact O-N 3.48Å; R628-A632 PolarHBondContact O-N 2.77Å
629	I	96.2	Very high	96.9	Very high	50 Å²	50	68.3 Å²	68.3	26%	0.256	35%	0.345	S	S	.	.	H	α-helix	trans	-65	-47.3	177.8	-65.7	175.1	0	0	0	110.3	G625 L626 R631 A632 R633 H678	G625-I629 PolarHBondContact O-N 2.81Å; L626-I629 HydrophobicContact CD2-CD1 4.27Å; L626-I629 PolarHBondContact O-N 3.49Å; I629-R631 VanDerWaalsContact C-N 3.32Å; I629-R631 PolarHBondContact O-N 3.24Å; I629-A632 WeakPolarHBondContact O-CB 3.33Å; I629-A632 PolarHBondContact O-N 2.91Å; I629-A632 VanDerWaalsContact O-N 3.12Å; I629-R633 PolarHBondContact O-N 2.92Å; I629-H678 WeakPolarHBondContact CD1-NE2 3.47Å
630	L	97.3	Very high	97.1	Very high	11 Å²	11	65.1 Å²	65.1	6%	0.058	32%	0.322	C	S	.	.	H	α-helix	trans	-60.5	-42	177.2	-65	-178	0	0	0	111.7	A612 S613 V615 I622 L626 A632 R633 L634	A612-L630 WeakPolarHBondContact O-CD2 3.47Å; S613-L630 WeakPolarHBondContact CB-O 3.4Å; V615-L630 HydrophobicContact CG2-CD1 3.86Å; I622-L630 HydrophobicContact CD1-CD1 4.08Å; L626-L630 WeakPolarHBondContact O-CG 3.45Å; L626-L630 PolarHBondContact O-N 3.33Å; L630-A632 VanDerWaalsContact C-N 3.35Å; L630-A632 PolarHBondContact O-N 2.71Å; L630-R633 PolarHBondContact O-N 3.45Å; L630-L634 PolarHBondContact O-N 3.02Å
631	R	97.8	Very high	97.2	Very high	165 Å²	165	66 Å²	66	62%	0.623	33%	0.329	S	S	*	.	H	α-helix	trans	-61.8	-41.4	173.9	-169.9	-176.9	-59.5	147.2	2.7	112.2	S627 R628 I629 R633 L634 E635	S627-R631 WeakPolarHBondContact O-CB 3.47Å; S627-R631 PolarHBondContact O-N 3.27Å; R628-R631 PolarHBondContact O-N 3.48Å; I629-R631 VanDerWaalsContact C-N 3.32Å; I629-R631 PolarHBondContact O-N 3.24Å; R631-R633 VanDerWaalsContact C-N 3.34Å; R631-R633 PolarHBondContact O-N 2.73Å; R631-L634 WeakPolarHBondContact O-CB 3.44Å; R631-L634 PolarHBondContact O-N 3.42Å; R631-E635 WeakPolarHBondContact O-CG 3.28Å; R631-E635 PolarHBondContact O-N 3.19Å
632	A	97.1	Very high	97.2	Very high	48 Å²	48	61 Å²	61	40%	0.397	31%	0.307	S	S	.	.	H	α-helix	trans	-63.3	-39.7	177.5	0	0	0	0	0	112.1	R628 I629 L630 L634 E635 M636	R628-A632 PolarHBondContact O-N 2.77Å; I629-A632 WeakPolarHBondContact O-CB 3.33Å; I629-A632 PolarHBondContact O-N 2.91Å; I629-A632 VanDerWaalsContact O-N 3.12Å; L630-A632 VanDerWaalsContact C-N 3.35Å; L630-A632 PolarHBondContact O-N 2.71Å; A632-L634 VanDerWaalsContact C-N 3.34Å; A632-E635 PolarHBondContact O-N 3.26Å; A632-M636 WeakPolarHBondContact O-CG 3.34Å; A632-M636 PolarHBondContact O-N 3.18Å
633	R	97.8	Very high	97.3	Very high	6 Å²	6	61 Å²	61	2%	0.023	31%	0.308	C	S	.	.	H	α-helix	trans	-62	-40.5	172.9	-69.6	177.7	179	170.2	-1.3	112.3	A612 S613 I629 L630 R631 M636 T637 H676 R677	A612-R633 WeakPolarHBondContact O-CD 3.49Å; A612-R633 PolarHBondContact O-NH1 2.95Å; S613-R633 WeakPolarHBondContact OG-CB 3.38Å; I629-R633 PolarHBondContact O-N 2.92Å; L630-R633 PolarHBondContact O-N 3.45Å; R631-R633 VanDerWaalsContact C-N 3.34Å; R631-R633 PolarHBondContact O-N 2.73Å; R633-M636 HydrophobicContact CG-CE 4.3Å; R633-M636 PolarHBondContact O-N 3.2Å; R633-T637 WeakPolarHBondContact O-CB 3.4Å; R633-T637 PolarHBondContact O-N 3.32Å; R633-T637 PolarHBondContact O-OG1 3.38Å; R633-H676 PolarHBondContact NH2-O 3.44Å; R633-R677 PolarHBondContact NH2-O 3Å
634	L	98.4	Very high	97.4	Very high	52 Å²	52	56.6 Å²	56.6	27%	0.272	29%	0.287	S	S	.	.	H	α-helix	trans	-62.7	-45.1	177.1	-177.2	62.4	0	0	0	111.1	S613 L630 R631 A632 T637 K638	S613-L634 WeakPolarHBondContact OG-CA 3.46Å; S613-L634 PolarHBondContact OG-N 2.83Å; L630-L634 PolarHBondContact O-N 3.02Å; R631-L634 WeakPolarHBondContact O-CB 3.44Å; R631-L634 PolarHBondContact O-N 3.42Å; A632-L634 VanDerWaalsContact C-N 3.34Å; L634-T637 PolarHBondContact O-N 3.39Å; L634-K638 HydrophobicContact CG-CD 4.5Å; L634-K638 WeakPolarHBondContact O-CG 3.28Å; L634-K638 PolarHBondContact O-N 3.17Å
635	E	98.4	Very high	97.5	Very high	83 Å²	83	53 Å²	53	39%	0.388	26%	0.257	S	S	.	.	H	α-helix	trans	-66.5	-38.9	178.2	-66.4	-54.5	120.9	0	0	112.2	R631 A632 K638 N639	R631-E635 WeakPolarHBondContact O-CG 3.28Å; R631-E635 PolarHBondContact O-N 3.19Å; A632-E635 PolarHBondContact O-N 3.26Å; E635-K638 PolarHBondContact O-N 2.9Å; E635-K638 IonicContact OE1-NZ 2.96Å; E635-K638 PolarHBondContact OE1-NZ 3.29Å; E635-N639 WeakPolarHBondContact O-CB 3.24Å; E635-N639 VanDerWaalsContact O-CG 3.24Å; E635-N639 PolarHBondContact O-N 3.12Å; E635-N639 PolarHBondContact O-ND2 3.4Å
636	M	98.3	Very high	97.7	Very high	24 Å²	24	51.8 Å²	51.8	12%	0.118	25%	0.246	C	C	.	.	H	α-helix	trans	-61.3	-46.6	172.7	-76.4	-170.2	-59.3	0	0	111.6	A632 R633 K638 N639 R640 V641 D643 L646	A632-M636 WeakPolarHBondContact O-CG 3.34Å; A632-M636 PolarHBondContact O-N 3.18Å; R633-M636 HydrophobicContact CG-CE 4.3Å; R633-M636 PolarHBondContact O-N 3.2Å; M636-K638 PolarHBondContact O-N 3.14Å; M636-N639 CarbonylContact O-C 3.57Å; M636-N639 PolarHBondContact O-N 3.24Å; M636-N639 VanDerWaalsContact O-N 3.14Å; M636-R640 PolarHBondContact O-N 2.9Å; M636-R640 VanDerWaalsContact O-N 3.16Å; M636-V641 CarbonylContact C-O 3.57Å; M636-V641 WeakPolarHBondContact CB-O 3.43Å; M636-V641 PolarHBondContact O-N 2.9Å; M636-D643 HydrophobicContact CE-CB 4.21Å; M636-D643 WeakPolarHBondContact CE-OD2 3.36Å; M636-D643 HydrophobicContact SD-CB 3.97Å; M636-L646 HydrophobicContact CB-CD2 4.14Å; M636-L646 HydrophobicContact CE-CD2 4.43Å
637	T	98.3	Very high	97.8	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.031	24%	0.24	C	C	.	.	H	α-helix	trans	-58	-48	177.1	-55.4	0	0	0	0	111.5	R633 L634 N639 R640 F862	R633-T637 WeakPolarHBondContact O-CB 3.4Å; R633-T637 PolarHBondContact O-N 3.32Å; R633-T637 PolarHBondContact O-OG1 3.38Å; L634-T637 PolarHBondContact O-N 3.39Å; T637-N639 VanDerWaalsContact C-N 3.27Å; T637-N639 PolarHBondContact O-N 3.23Å; T637-R640 PolarHBondContact O-N 3.47Å; T637-R640 VanDerWaalsContact O-N 3.12Å; T637-F862 HydrophobicContact CG2-CZ 4.26Å
638	K	98.1	Very high	98	Very high	122 Å²	122	49 Å²	49	53%	0.53	23%	0.227	S	C	.	.	H	α-helix	trans	-60.9	-36	176.9	-73.2	173.5	-175.2	166.1	0	113.1	L634 E635 M636 R640	L634-K638 HydrophobicContact CG-CD 4.5Å; L634-K638 WeakPolarHBondContact O-CG 3.28Å; L634-K638 PolarHBondContact O-N 3.17Å; E635-K638 PolarHBondContact O-N 2.9Å; E635-K638 IonicContact OE1-NZ 2.96Å; E635-K638 PolarHBondContact OE1-NZ 3.29Å; M636-K638 PolarHBondContact O-N 3.14Å; K638-R640 PolarHBondContact O-N 3.22Å
639	N	98.3	Very high	98.1	Very high	108 Å²	108	40.2 Å²	40.2	58%	0.578	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	6.7	-179.8	-67.8	-39.4	0	0	0	113.1	E635 M636 T637 V641	E635-N639 WeakPolarHBondContact O-CB 3.24Å; E635-N639 VanDerWaalsContact O-CG 3.24Å; E635-N639 PolarHBondContact O-N 3.12Å; E635-N639 PolarHBondContact O-ND2 3.4Å; M636-N639 CarbonylContact O-C 3.57Å; M636-N639 PolarHBondContact O-N 3.24Å; M636-N639 VanDerWaalsContact O-N 3.14Å; T637-N639 VanDerWaalsContact C-N 3.27Å; T637-N639 PolarHBondContact O-N 3.23Å; N639-V641 PolarHBondContact O-N 3.4Å
640	R	98.3	Very high	98.2	Very high	84 Å²	84	37.9 Å²	37.9	32%	0.317	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	35.9	-177.7	-56.8	168.1	58	103.6	6.6	113.3	E602 M636 T637 K638 S861 F862 D863	E602-R640 IonicContact OE1-CZ 2.94Å; E602-R640 VanDerWaalsContact OE1-CZ 3.31Å; E602-R640 IonicContact OE1-NE 3.61Å; E602-R640 IonicContact OE1-NH1 3.95Å; E602-R640 PolarHBondContact OE1-NH1 3.06Å; E602-R640 IonicContact OE1-NH2 3.37Å; E602-R640 IonicContact OE2-CZ 2.81Å; E602-R640 VanDerWaalsContact OE2-CZ 3.29Å; E602-R640 IonicContact OE2-NH1 3.48Å; E602-R640 PolarHBondContact OE2-NH1 3.11Å; E602-R640 IonicContact OE2-NH2 3.07Å; E602-R640 PolarHBondContact OE2-NH2 3.42Å; M636-R640 PolarHBondContact O-N 2.9Å; M636-R640 VanDerWaalsContact O-N 3.16Å; T637-R640 PolarHBondContact O-N 3.47Å; T637-R640 VanDerWaalsContact O-N 3.12Å; K638-R640 PolarHBondContact O-N 3.22Å; R640-S861 WeakPolarHBondContact O-CA 3.48Å; R640-F862 HydrophobicContact CB-CB 4.16Å; R640-F862 HydrophobicContact CB-CD1 4.39Å; R640-F862 HydrophobicContact CB-CD2 4.24Å; R640-F862 HydrophobicContact CB-CG 4.02Å; R640-F862 HydrophobicContact CG-CD2 4.42Å; R640-F862 WeakPolarHBondContact O-CD1 3.32Å; R640-F862 PolarHBondContact O-N 3.2Å; R640-D863 IonicContact CZ-OD1 2.97Å; R640-D863 IonicContact NH2-OD1 2.76Å; R640-D863 PolarHBondContact NH2-OD1 2.93Å
641	V	98.2	Very high	98.3	Very high	42 Å²	42	37.3 Å²	37.3	26%	0.255	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	148.4	179.6	175.3	0	0	0	0	109.4	M636 N639 K859 S860	M636-V641 CarbonylContact C-O 3.57Å; M636-V641 WeakPolarHBondContact CB-O 3.43Å; M636-V641 PolarHBondContact O-N 2.9Å; N639-V641 PolarHBondContact O-N 3.4Å; V641-K859 HydrophobicContact CG1-CB 3.81Å; V641-K859 HydrophobicContact CG1-CD 3.85Å; V641-K859 HydrophobicContact CG1-CG 4.3Å; V641-S860 CarbonylContact C-O 3.49Å; V641-S860 VanDerWaalsContact CA-O 3.31Å; V641-S860 WeakPolarHBondContact CA-O 3.49Å
642	V	98.3	Very high	98.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	145.9	173.8	-60.9	0	0	0	0	111.8	L646 A647 M650 P825 K859 S860 F862 M865	V642-L646 HydrophobicContact CB-CB 4.36Å; V642-L646 HydrophobicContact CB-CD2 4.49Å; V642-L646 HydrophobicContact CB-CG 4.48Å; V642-L646 HydrophobicContact CG1-CD2 4.08Å; V642-L646 HydrophobicContact CG1-CG 4.12Å; V642-A647 HydrophobicContact CB-CB 4.36Å; V642-A647 HydrophobicContact CG2-CB 4.05Å; V642-M650 HydrophobicContact CG1-CE 3.89Å; V642-M650 HydrophobicContact CG1-SD 3.6Å; V642-M650 VanDerWaalsContact CG1-SD 3.6Å; V642-P825 HydrophobicContact CG2-CB 3.99Å; V642-K859 VanDerWaalsContact O-CA 3.28Å; V642-K859 WeakPolarHBondContact O-CA 3.4Å; V642-K859 WeakPolarHBondContact O-CB 3.35Å; V642-S860 PolarHBondContact N-O 2.99Å; V642-S860 PolarHBondContact O-N 3.06Å; V642-F862 HydrophobicContact CG1-CD1 3.94Å; V642-F862 HydrophobicContact CG1-CE1 3.48Å; V642-F862 VanDerWaalsContact CG1-CE1 3.48Å; V642-M865 HydrophobicContact CG1-SD 4.39Å; V642-M865 HydrophobicContact CG2-SD 3.65Å
643	D	98.3	Very high	98.4	Very high	36 Å²	36	27.2 Å²	27.2	19%	0.193	13%	0.131	C	C	.	.			trans	-94	-179.3	158.2	70.9	1.4	0	0	0	110.2	M636 A645 L646 A647	M636-D643 HydrophobicContact CE-CB 4.21Å; M636-D643 WeakPolarHBondContact CE-OD2 3.36Å; M636-D643 HydrophobicContact SD-CB 3.97Å; D643-A645 PolarHBondContact O-N 3.44Å; D643-A645 PolarHBondContact OD1-N 3.49Å; D643-L646 PolarHBondContact O-N 2.81Å; D643-L646 VanDerWaalsContact OD1-CB 3.29Å; D643-L646 WeakPolarHBondContact OD1-CB 3.26Å; D643-L646 PolarHBondContact OD1-N 3.45Å; D643-A647 WeakPolarHBondContact O-CB 3.31Å; D643-A647 PolarHBondContact O-N 2.93Å
644	W	98.4	Very high	98.4	Very high	3 Å²	3	27 Å²	27	1%	0.011	13%	0.13	C	C	.	.	H	α-helix	trans	-59.2	-43.4	-176.7	-152.6	-77.1	0	0	0	113.6	E648 C822 P825 Y828 P849 L853	W644-E648 PolarHBondContact O-N 3.5Å; W644-C822 HydrophobicContact CH2-CB 3.78Å; W644-C822 WeakPolarHBondContact CH2-O 3.37Å; W644-C822 HydrophobicContact CZ2-CB 4.18Å; W644-P825 HydrophobicContact CE3-CG 4.23Å; W644-Y828 AromaticContact CD1-CD1 3.58Å; W644-Y828 AromaticContact CD1-CE1 3.64Å; W644-Y828 HydrophobicContact CD2-CD1 4.46Å; W644-Y828 AromaticContact CE2-CD1 3.72Å; W644-Y828 AromaticContact CE2-CG 3.73Å; W644-Y828 HydrophobicContact CG-CD1 4.39Å; W644-Y828 HydrophobicContact CZ2-CD1 4.27Å; W644-Y828 HydrophobicContact CZ2-CD2 4.18Å; W644-Y828 AromaticContact CZ2-CG 3.8Å; W644-Y828 HydrophobicContact CZ2-CG 3.8Å; W644-Y828 AromaticContact NE1-CD1 3.09Å; W644-Y828 AromaticContact NE1-CE1 3.27Å; W644-Y828 VanDerWaalsContact NE1-CE1 3.27Å; W644-Y828 AromaticContact NE1-CG 3.49Å; W644-Y828 AromaticContact NE1-CZ 3.86Å; W644-P849 HydrophobicContact CD2-CG 3.43Å; W644-P849 VanDerWaalsContact CD2-CG 3.43Å; W644-P849 HydrophobicContact CE3-CG 3.67Å; W644-P849 HydrophobicContact CG-CG 3.99Å; W644-P849 HydrophobicContact CH2-CG 3.84Å; W644-P849 HydrophobicContact CZ2-CG 3.64Å; W644-P849 HydrophobicContact CZ3-CG 3.86Å; W644-L853 HydrophobicContact CB-CD2 3.78Å; W644-L853 HydrophobicContact CG-CD2 3.83Å
645	A	98	Very high	98.4	Very high	3 Å²	3	24.5 Å²	24.5	3%	0.025	12%	0.117	C	C	.	.	H	α-helix	trans	-70.4	-38.3	-177.1	0	0	0	0	0	111.6	D643 E648 Y649 H676	D643-A645 PolarHBondContact O-N 3.44Å; D643-A645 PolarHBondContact OD1-N 3.49Å; A645-E648 WeakPolarHBondContact O-CB 3.41Å; A645-Y649 WeakPolarHBondContact O-CB 3.38Å; A645-Y649 PolarHBondContact O-N 3.46Å; A645-H676 HydrophobicContact CB-CB 4.49Å; A645-H676 WeakPolarHBondContact CB-O 3.29Å
646	L	98.6	Very high	98.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-70.9	-37.8	176.8	-172.8	57.4	0	0	0	111.9	A612 M636 V642 D643 Y649 M650	A612-L646 HydrophobicContact CB-CD1 4.08Å; M636-L646 HydrophobicContact CB-CD2 4.14Å; M636-L646 HydrophobicContact CE-CD2 4.43Å; V642-L646 HydrophobicContact CB-CB 4.36Å; V642-L646 HydrophobicContact CB-CD2 4.49Å; V642-L646 HydrophobicContact CB-CG 4.48Å; V642-L646 HydrophobicContact CG1-CD2 4.08Å; V642-L646 HydrophobicContact CG1-CG 4.12Å; D643-L646 PolarHBondContact O-N 2.81Å; D643-L646 VanDerWaalsContact OD1-CB 3.29Å; D643-L646 WeakPolarHBondContact OD1-CB 3.26Å; D643-L646 PolarHBondContact OD1-N 3.45Å; L646-Y649 PolarHBondContact O-N 3.21Å; L646-M650 HydrophobicContact CD1-CE 3.99Å; L646-M650 HydrophobicContact CD2-CE 3.99Å; L646-M650 HydrophobicContact CG-CE 3.74Å; L646-M650 HydrophobicContact CG-SD 4.28Å; L646-M650 WeakPolarHBondContact O-CB 3.05Å; L646-M650 WeakPolarHBondContact O-CG 3.47Å; L646-M650 PolarHBondContact O-N 3.29Å
647	A	98.8	Very high	98.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.4	-42	173.6	0	0	0	0	0	111.9	V642 D643 M650 A651 P825 F829	V642-A647 HydrophobicContact CB-CB 4.36Å; V642-A647 HydrophobicContact CG2-CB 4.05Å; D643-A647 WeakPolarHBondContact O-CB 3.31Å; D643-A647 PolarHBondContact O-N 2.93Å; A647-M650 PolarHBondContact O-N 3.34Å; A647-A651 PolarHBondContact O-N 3.38Å; A647-P825 HydrophobicContact CB-CB 3.7Å; A647-P825 WeakPolarHBondContact CB-O 3.45Å; A647-F829 HydrophobicContact CB-CB 4.32Å
648	E	98.8	Very high	98.2	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-57.7	-49.7	172.1	-164.7	-177	72.9	0	0	111.7	W644 A645 M650 A651 F652 R677 H679 Y828 L832	W644-E648 PolarHBondContact O-N 3.5Å; A645-E648 WeakPolarHBondContact O-CB 3.41Å; E648-M650 VanDerWaalsContact C-N 3.28Å; E648-M650 PolarHBondContact O-N 2.99Å; E648-A651 PolarHBondContact O-N 3.36Å; E648-A651 VanDerWaalsContact O-N 3.16Å; E648-F652 HydrophobicContact CG-CD2 4.21Å; E648-F652 HydrophobicContact CG-CE1 4.08Å; E648-F652 HydrophobicContact CG-CE2 3.69Å; E648-F652 HydrophobicContact CG-CZ 3.61Å; E648-F652 WeakPolarHBondContact O-CG 3.31Å; E648-F652 PolarHBondContact O-N 2.94Å; E648-R677 WeakPolarHBondContact OE1-CD 3.37Å; E648-R677 IonicContact OE1-CZ 2.6Å; E648-R677 IonicContact OE1-NE 3.34Å; E648-R677 PolarHBondContact OE1-NE 2.86Å; E648-R677 IonicContact OE1-NH2 3.7Å; E648-R677 IonicContact OE2-CZ 3.77Å; E648-R677 IonicContact OE2-NE 2.92Å; E648-R677 IonicContact OE2-NH2 2.65Å; E648-R677 PolarHBondContact OE2-NH2 2.97Å; E648-H679 IonicContact OE1-CE1 3.89Å; E648-H679 IonicContact OE1-NE2 3.47Å; E648-Y828 HydrophobicContact CB-CD1 4.49Å; E648-Y828 HydrophobicContact CB-CE1 3.73Å; E648-Y828 HydrophobicContact CG-CE1 3.77Å; E648-Y828 PolarHBondContact OE2-OH 3.12Å; E648-L832 HydrophobicContact CG-CD1 4.38Å
649	Y	98.7	Very high	98.1	Very high	2 Å²	2	25 Å²	25	1%	0.008	13%	0.134	C	C	.	.	H	α-helix	trans	-60.5	-40.4	-179	-158.4	-67.7	0	0	0	111.2	I608 A612 A645 L646 G653 H679 M694	I608-Y649 HydrophobicContact CG2-CD1 3.6Å; I608-Y649 HydrophobicContact CG2-CE1 4Å; A612-Y649 HydrophobicContact CB-CD1 3.5Å; A612-Y649 HydrophobicContact CB-CD2 3.9Å; A612-Y649 HydrophobicContact CB-CE1 3.5Å; A612-Y649 HydrophobicContact CB-CE2 3.9Å; A612-Y649 HydrophobicContact CB-CG 3.71Å; A645-Y649 WeakPolarHBondContact O-CB 3.38Å; A645-Y649 PolarHBondContact O-N 3.46Å; L646-Y649 PolarHBondContact O-N 3.21Å; Y649-G653 PolarHBondContact O-N 2.58Å; Y649-H679 AromaticContact CD2-CD2 3.51Å; Y649-H679 AromaticContact CD2-NE2 3.27Å; Y649-H679 VanDerWaalsContact CD2-NE2 3.27Å; Y649-H679 WeakPolarHBondContact CD2-NE2 3.47Å; Y649-H679 AromaticContact CE2-CD2 3.72Å; Y649-H679 AromaticContact CE2-NE2 3.95Å; Y649-M694 HydrophobicContact CD1-CE 3.53Å; Y649-M694 HydrophobicContact CD2-CE 3.45Å; Y649-M694 VanDerWaalsContact CD2-CE 3.45Å; Y649-M694 HydrophobicContact CE1-CB 4.23Å; Y649-M694 HydrophobicContact CE1-CE 3.61Å; Y649-M694 HydrophobicContact CE1-CG 4.06Å; Y649-M694 HydrophobicContact CE2-CB 4.38Å; Y649-M694 HydrophobicContact CE2-CE 3.53Å; Y649-M694 HydrophobicContact CG-CE 3.45Å; Y649-M694 VanDerWaalsContact CG-CE 3.45Å; Y649-M694 WeakPolarHBondContact OH-CA 3.2Å; Y649-M694 WeakPolarHBondContact OH-CB 3.01Å; Y649-M694 PolarHBondContact OH-N 3.27Å
650	M	98.8	Very high	98	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-66.2	-41.2	175.9	-74	171	177.2	0	0	112.2	L605 I608 V642 L646 A647 E648 S654 F829 F862 M865	L605-M650 HydrophobicContact CB-CE 4.4Å; L605-M650 HydrophobicContact CB-SD 4.31Å; L605-M650 HydrophobicContact CD2-CB 4Å; L605-M650 HydrophobicContact CD2-CG 4.07Å; L605-M650 HydrophobicContact CD2-SD 3.62Å; L605-M650 WeakPolarHBondContact O-CE 3.48Å; I608-M650 HydrophobicContact CB-CG 4.45Å; I608-M650 HydrophobicContact CG2-CG 4.17Å; V642-M650 HydrophobicContact CG1-CE 3.89Å; V642-M650 HydrophobicContact CG1-SD 3.6Å; V642-M650 VanDerWaalsContact CG1-SD 3.6Å; L646-M650 HydrophobicContact CD1-CE 3.99Å; L646-M650 HydrophobicContact CD2-CE 3.99Å; L646-M650 HydrophobicContact CG-CE 3.74Å; L646-M650 HydrophobicContact CG-SD 4.28Å; L646-M650 WeakPolarHBondContact O-CB 3.05Å; L646-M650 WeakPolarHBondContact O-CG 3.47Å; L646-M650 PolarHBondContact O-N 3.29Å; A647-M650 PolarHBondContact O-N 3.34Å; E648-M650 VanDerWaalsContact C-N 3.28Å; E648-M650 PolarHBondContact O-N 2.99Å; M650-S654 VanDerWaalsContact O-CB 3.28Å; M650-S654 WeakPolarHBondContact O-CB 3.32Å; M650-S654 PolarHBondContact O-N 3Å; M650-S654 PolarHBondContact O-OG 2.93Å; M650-F829 HydrophobicContact CB-CD2 4.23Å; M650-F829 HydrophobicContact CB-CE2 4.09Å; M650-F862 HydrophobicContact CE-CE1 3.8Å; M650-F862 HydrophobicContact CE-CZ 3.55Å; M650-F862 HydrophobicContact SD-CE1 4.38Å; M650-M865 HydrophobicContact CB-CE 4.31Å; M650-M865 HydrophobicContact SD-CE 4.02Å
651	A	98.7	Very high	98	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.2	-52.6	174.7	0	0	0	0	0	110.5	A647 E648 S654 F655 F829 L832 R833	A647-A651 PolarHBondContact O-N 3.38Å; E648-A651 PolarHBondContact O-N 3.36Å; E648-A651 VanDerWaalsContact O-N 3.16Å; A651-S654 PolarHBondContact O-N 3.22Å; A651-S654 PolarHBondContact O-OG 3.47Å; A651-F655 WeakPolarHBondContact O-CD2 3.34Å; A651-F655 PolarHBondContact O-N 3.4Å; A651-F829 HydrophobicContact CB-CD2 3.56Å; A651-F829 HydrophobicContact CB-CE2 4.11Å; A651-F829 HydrophobicContact CB-CG 4.31Å; A651-L832 HydrophobicContact CB-CB 4.13Å; A651-L832 HydrophobicContact CB-CD1 3.91Å; A651-R833 HydrophobicContact CB-CG 4.37Å
652	F	98.7	Very high	98	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.4	-48.4	-179.7	-66.4	-4.2	0	0	0	111.8	E648 S654 F655 L656 V662 L664 H679 M694 Y704 L731 L832	E648-F652 HydrophobicContact CG-CD2 4.21Å; E648-F652 HydrophobicContact CG-CE1 4.08Å; E648-F652 HydrophobicContact CG-CE2 3.69Å; E648-F652 HydrophobicContact CG-CZ 3.61Å; E648-F652 WeakPolarHBondContact O-CG 3.31Å; E648-F652 PolarHBondContact O-N 2.94Å; F652-S654 VanDerWaalsContact C-N 3.28Å; F652-S654 PolarHBondContact O-N 3.36Å; F652-F655 WeakPolarHBondContact O-CB 3.44Å; F652-F655 PolarHBondContact O-N 2.86Å; F652-L656 WeakPolarHBondContact O-CG 3.47Å; F652-L656 PolarHBondContact O-N 2.81Å; F652-V662 HydrophobicContact CB-CG1 4.25Å; F652-V662 HydrophobicContact CD1-CG1 4.04Å; F652-V662 HydrophobicContact CD2-CG1 4.15Å; F652-V662 HydrophobicContact CE1-CG1 4.45Å; F652-V662 HydrophobicContact CG-CG1 3.89Å; F652-L664 HydrophobicContact CE2-CD2 4.26Å; F652-H679 AromaticContact CD2-CE1 3.99Å; F652-M694 HydrophobicContact CB-CE 3.91Å; F652-M694 HydrophobicContact CB-SD 3.73Å; F652-M694 HydrophobicContact CD2-CE 4.3Å; F652-M694 HydrophobicContact CD2-SD 4.49Å; F652-Y704 HydrophobicContact CD2-CE2 4.12Å; F652-L731 HydrophobicContact CD1-CD2 3.73Å; F652-L731 HydrophobicContact CE1-CD2 3.56Å; F652-L832 HydrophobicContact CD1-CD1 4.37Å; F652-L832 HydrophobicContact CE1-CD1 3.76Å; F652-L832 HydrophobicContact CE1-CD2 4.28Å
653	G	98.3	Very high	98	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60.8	-36.1	180	0	0	0	0	0	113.2	Y649 F655 L656 K657 L697 W698	Y649-G653 PolarHBondContact O-N 2.58Å; G653-F655 VanDerWaalsContact C-N 3.34Å; G653-F655 PolarHBondContact O-N 3.13Å; G653-L656 PolarHBondContact O-N 3.04Å; G653-K657 PolarHBondContact O-N 3.25Å; G653-L697 VanDerWaalsContact CA-CD1 3.46Å; G653-W698 WeakPolarHBondContact O-CZ3 3.38Å
654	S	98.3	Very high	98.1	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.007	8%	0.077	C	C	.	.	H	α-helix	trans	-62.9	-39.4	177.5	68.8	0	0	0	0	112.6	M650 A651 F652 L656 K657 E658 R833	M650-S654 VanDerWaalsContact O-CB 3.28Å; M650-S654 WeakPolarHBondContact O-CB 3.32Å; M650-S654 PolarHBondContact O-N 3Å; M650-S654 PolarHBondContact O-OG 2.93Å; A651-S654 PolarHBondContact O-N 3.22Å; A651-S654 PolarHBondContact O-OG 3.47Å; F652-S654 VanDerWaalsContact C-N 3.28Å; F652-S654 PolarHBondContact O-N 3.36Å; S654-L656 VanDerWaalsContact C-N 3.31Å; S654-L656 PolarHBondContact O-N 3.09Å; S654-K657 WeakPolarHBondContact O-CB 3.44Å; S654-K657 PolarHBondContact O-N 2.87Å; S654-E658 WeakPolarHBondContact O-CG 3.33Å; S654-E658 PolarHBondContact O-N 3.29Å; S654-R833 PolarHBondContact OG-NH1 3.11Å
655	F	98.3	Very high	98.1	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.9	-36.3	175.5	-71.9	-42.5	0	0	0	113.1	A651 F652 G653 K657 E658 G659 I660 V662 L731 L832 R833 I836	A651-F655 WeakPolarHBondContact O-CD2 3.34Å; A651-F655 PolarHBondContact O-N 3.4Å; F652-F655 WeakPolarHBondContact O-CB 3.44Å; F652-F655 PolarHBondContact O-N 2.86Å; G653-F655 VanDerWaalsContact C-N 3.34Å; G653-F655 PolarHBondContact O-N 3.13Å; F655-K657 PolarHBondContact O-N 3.22Å; F655-E658 CarbonylContact O-C 3.45Å; F655-E658 WeakPolarHBondContact O-CA 3.36Å; F655-E658 PolarHBondContact O-N 3.28Å; F655-G659 PolarHBondContact O-N 2.85Å; F655-G659 VanDerWaalsContact O-N 3.15Å; F655-I660 HydrophobicContact CB-CB 3.9Å; F655-I660 HydrophobicContact CB-CG2 3.99Å; F655-I660 HydrophobicContact CD1-CB 4.4Å; F655-I660 HydrophobicContact CD1-CD1 3.66Å; F655-I660 HydrophobicContact CD1-CG2 4.31Å; F655-I660 HydrophobicContact CE1-CD1 4.22Å; F655-I660 HydrophobicContact CG-CB 4.42Å; F655-I660 HydrophobicContact CG-CD1 4.48Å; F655-I660 HydrophobicContact CG-CG2 4.18Å; F655-I660 PolarHBondContact O-N 2.99Å; F655-V662 HydrophobicContact CB-CG2 3.78Å; F655-V662 HydrophobicContact CD2-CG2 3.99Å; F655-V662 HydrophobicContact CG-CG2 4.35Å; F655-L731 HydrophobicContact CD2-CB 4.5Å; F655-L731 HydrophobicContact CD2-CD2 4.06Å; F655-L731 HydrophobicContact CE2-CB 4.4Å; F655-L731 HydrophobicContact CE2-CD1 4.34Å; F655-L731 HydrophobicContact CE2-CD2 3.76Å; F655-L731 HydrophobicContact CE2-CG 4.4Å; F655-L832 WeakPolarHBondContact CZ-O 3.31Å; F655-R833 HydrophobicContact CE1-CG 4.22Å; F655-R833 HydrophobicContact CE2-CG 4.4Å; F655-R833 HydrophobicContact CZ-CB 4.3Å; F655-R833 HydrophobicContact CZ-CG 3.98Å; F655-I836 HydrophobicContact CD1-CG1 4.47Å; F655-I836 HydrophobicContact CE1-CB 3.62Å; F655-I836 HydrophobicContact CE1-CG1 3.72Å; F655-I836 HydrophobicContact CE1-CG2 4.13Å; F655-I836 HydrophobicContact CE2-CG1 4.04Å; F655-I836 HydrophobicContact CZ-CB 3.71Å; F655-I836 HydrophobicContact CZ-CG1 3.39Å
656	L	98.2	Very high	98.1	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64.8	-32.7	179.5	-51.3	-176.3	0	0	0	111.7	F652 G653 S654 G659 V662 M694 L697 Q701 A702 P703 Y704	F652-L656 WeakPolarHBondContact O-CG 3.47Å; F652-L656 PolarHBondContact O-N 2.81Å; G653-L656 PolarHBondContact O-N 3.04Å; S654-L656 VanDerWaalsContact C-N 3.31Å; S654-L656 PolarHBondContact O-N 3.09Å; L656-G659 PolarHBondContact O-N 3.31Å; L656-V662 HydrophobicContact CD2-CB 4.16Å; L656-V662 HydrophobicContact CD2-CG2 3.92Å; L656-M694 HydrophobicContact CD1-CG 3.7Å; L656-M694 HydrophobicContact CD1-SD 4.18Å; L656-L697 HydrophobicContact CD1-CD1 4.14Å; L656-Q701 HydrophobicContact CB-CB 4.22Å; L656-Q701 VanDerWaalsContact CD1-NE2 3.25Å; L656-A702 HydrophobicContact CD2-CB 4.32Å; L656-A702 PolarHBondContact O-N 3.09Å; L656-P703 VanDerWaalsContact CD2-O 3.31Å; L656-P703 WeakPolarHBondContact CD2-O 3.48Å; L656-Y704 HydrophobicContact CD1-CG 4.49Å
657	K	96.3	Very high	98.1	Very high	105 Å²	105	14 Å²	14	46%	0.457	8%	0.079	S	C	.	.	H	α-helix	trans	-69.1	-36.3	172.4	-174.3	55.5	174.8	-179.8	0	112.5	L604 G653 S654 F655 G659 W698	L604-K657 HydrophobicContact CD2-CG 4.36Å; G653-K657 PolarHBondContact O-N 3.25Å; S654-K657 WeakPolarHBondContact O-CB 3.44Å; S654-K657 PolarHBondContact O-N 2.87Å; F655-K657 PolarHBondContact O-N 3.22Å; K657-G659 PolarHBondContact O-N 2.77Å; K657-W698 HydrophobicContact CB-CE3 4.03Å; K657-W698 HydrophobicContact CB-CH2 3.72Å; K657-W698 HydrophobicContact CB-CZ2 4.2Å; K657-W698 HydrophobicContact CB-CZ3 3.63Å; K657-W698 HydrophobicContact CD-CD2 3.86Å; K657-W698 HydrophobicContact CD-CE3 4.13Å; K657-W698 HydrophobicContact CD-CG 4.28Å; K657-W698 HydrophobicContact CD-CZ2 4.26Å; K657-W698 HydrophobicContact CD-CZ3 4.48Å; K657-W698 HydrophobicContact CG-CH2 4.31Å; K657-W698 HydrophobicContact CG-CZ2 4.29Å; K657-W698 HydrophobicContact CG-CZ3 4.46Å
658	E	95.6	Very high	98.1	Very high	83 Å²	83	17.1 Å²	17.1	39%	0.388	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	0.5	179.9	-67	169.5	-167	0	0	113.1	S654 F655 I660 R833	S654-E658 WeakPolarHBondContact O-CG 3.33Å; S654-E658 PolarHBondContact O-N 3.29Å; F655-E658 CarbonylContact O-C 3.45Å; F655-E658 WeakPolarHBondContact O-CA 3.36Å; F655-E658 PolarHBondContact O-N 3.28Å; E658-I660 HydrophobicContact CB-CD1 3.88Å; E658-R833 IonicContact OE1-CZ 3.56Å; E658-R833 IonicContact OE1-NH1 3.55Å; E658-R833 PolarHBondContact OE1-NH1 2.89Å; E658-R833 IonicContact OE1-NH2 3.79Å; E658-R833 PolarHBondContact OE1-NH2 3.45Å; E658-R833 IonicContact OE2-NH1 3.03Å
659	G	95.9	Very high	98.1	Very high	56 Å²	56	17.1 Å²	17.1	58%	0.577	10%	0.096	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.8	13	179.6	0	0	0	0	0	114.2	F655 L656 K657	F655-G659 PolarHBondContact O-N 2.85Å; F655-G659 VanDerWaalsContact O-N 3.15Å; L656-G659 PolarHBondContact O-N 3.31Å; K657-G659 PolarHBondContact O-N 2.77Å
660	I	97.4	Very high	98	Very high	18 Å²	18	18.8 Å²	18.8	9%	0.092	10%	0.103	C	C	.	.			trans	-95.8	125.3	-177.3	-67.2	152.5	0	0	0	109.6	F655 E658 A702 I836	F655-I660 HydrophobicContact CB-CB 3.9Å; F655-I660 HydrophobicContact CB-CG2 3.99Å; F655-I660 HydrophobicContact CD1-CB 4.4Å; F655-I660 HydrophobicContact CD1-CD1 3.66Å; F655-I660 HydrophobicContact CD1-CG2 4.31Å; F655-I660 HydrophobicContact CE1-CD1 4.22Å; F655-I660 HydrophobicContact CG-CB 4.42Å; F655-I660 HydrophobicContact CG-CD1 4.48Å; F655-I660 HydrophobicContact CG-CG2 4.18Å; F655-I660 PolarHBondContact O-N 2.99Å; E658-I660 HydrophobicContact CB-CD1 3.88Å; I660-A702 WeakPolarHBondContact O-CB 3.14Å; I660-I836 HydrophobicContact CD1-CG2 3.49Å; I660-I836 VanDerWaalsContact CD1-CG2 3.49Å; I660-I836 HydrophobicContact CG1-CG2 4.09Å; I660-I836 HydrophobicContact CG2-CD1 4.47Å; I660-I836 HydrophobicContact CG2-CG1 4.38Å; I660-I836 HydrophobicContact CG2-CG2 4.21Å
661	H	97.9	Very high	98	Very high	6 Å²	6	24.2 Å²	24.2	3%	0.028	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	133.1	174.2	175.5	-153.3	0	0	0	109.9	F384 Y385 P703 T705 F723 A730 L731	F384-H661 AromaticContact CE1-CE1 3.47Å; F384-H661 VanDerWaalsContact CE1-CE1 3.47Å; F384-H661 WeakPolarHBondContact CE1-CE1 2.91Å; F384-H661 AromaticContact CE1-CG 3.96Å; F384-H661 AromaticContact CE1-ND1 3.44Å; F384-H661 WeakPolarHBondContact CE1-ND1 3.07Å; F384-H661 AromaticContact CE1-NE2 3.99Å; F384-H661 AromaticContact CZ-CE1 3.66Å; F384-H661 AromaticContact CZ-NE2 3.76Å; Y385-H661 HydrophobicContact CE1-CB 4.38Å; Y385-H661 AromaticContact CZ-ND1 3.75Å; Y385-H661 PolarHBondContact OH-ND1 2.91Å; H661-P703 PolarHBondContact CD2-O 2.83Å; H661-P703 VanDerWaalsContact CD2-O 3.25Å; H661-T705 PolarHBondContact NE2-OG1 3.11Å; H661-F723 AromaticContact CE1-CE1 3.75Å; H661-F723 AromaticContact CE1-CZ 3.74Å; H661-F723 AromaticContact ND1-CE1 3.98Å; H661-A730 HydrophobicContact CB-CB 4.23Å; H661-A730 CarbonylContact O-C 3.59Å; H661-A730 VanDerWaalsContact O-CA 3.24Å; H661-A730 WeakPolarHBondContact O-CA 3.14Å; H661-L731 PolarHBondContact O-N 3.49Å
662	V	98.7	Very high	98	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.3	169.4	-179.8	0	0	0	0	109.4	F652 F655 L656 P703 Y704 T705 L731	F652-V662 HydrophobicContact CB-CG1 4.25Å; F652-V662 HydrophobicContact CD1-CG1 4.04Å; F652-V662 HydrophobicContact CD2-CG1 4.15Å; F652-V662 HydrophobicContact CE1-CG1 4.45Å; F652-V662 HydrophobicContact CG-CG1 3.89Å; F655-V662 HydrophobicContact CB-CG2 3.78Å; F655-V662 HydrophobicContact CD2-CG2 3.99Å; F655-V662 HydrophobicContact CG-CG2 4.35Å; L656-V662 HydrophobicContact CD2-CB 4.16Å; L656-V662 HydrophobicContact CD2-CG2 3.92Å; V662-P703 PolarHBondContact N-O 3.4Å; V662-Y704 HydrophobicContact CB-CD2 3.83Å; V662-Y704 HydrophobicContact CB-CE2 4.32Å; V662-Y704 HydrophobicContact CG1-CD2 3.83Å; V662-Y704 HydrophobicContact CG1-CE2 3.79Å; V662-Y704 WeakPolarHBondContact O-CA 3.32Å; V662-Y704 WeakPolarHBondContact O-CD2 3.19Å; V662-T705 PolarHBondContact O-N 3.42Å; V662-L731 CarbonylContact C-O 3.57Å; V662-L731 WeakPolarHBondContact CA-O 3.48Å; V662-L731 HydrophobicContact CG1-CB 4.43Å; V662-L731 HydrophobicContact CG1-CD2 4.07Å; V662-L731 HydrophobicContact CG2-CB 4.17Å; V662-L731 HydrophobicContact CG2-CD2 4.44Å
663	R	98.5	Very high	97.9	Very high	5 Å²	5	25.2 Å²	25.2	2%	0.019	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.5	173.2	-179.8	174.3	169	91	0.4	109.8	S422 T705 E720 L731 C733	S422-R663 PolarHBondContact O-NH1 3.06Å; S422-R663 PolarHBondContact O-NH2 3.4Å; R663-T705 CarbonylContact C-O 3.55Å; R663-T705 VanDerWaalsContact CA-O 3.24Å; R663-T705 WeakPolarHBondContact CA-O 3.03Å; R663-T705 HydrophobicContact CG-CG2 4.41Å; R663-E720 WeakPolarHBondContact CD-OE2 3.15Å; R663-E720 IonicContact CZ-OE1 2.6Å; R663-E720 IonicContact CZ-OE2 3.88Å; R663-E720 IonicContact NE-OE1 3.71Å; R663-E720 PolarHBondContact NE-OE1 3.16Å; R663-E720 IonicContact NE-OE2 3.9Å; R663-E720 PolarHBondContact NE-OE2 2.8Å; R663-E720 IonicContact NH2-OE1 2.91Å; R663-E720 PolarHBondContact NH2-OE1 3.21Å; R663-E720 IonicContact NH2-OE2 2.61Å; R663-L731 PolarHBondContact N-O 3.07Å; R663-C733 PolarHBondContact O-N 3.45Å
664	L	98.8	Very high	97.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	120.9	173.9	175.1	64.1	0	0	0	109.6	F652 V669 Y704 T705 V706 C707 C733 E735 L769	F652-L664 HydrophobicContact CE2-CD2 4.26Å; L664-V669 HydrophobicContact CD2-CB 4.16Å; L664-V669 HydrophobicContact CG-CB 4.05Å; L664-V669 HydrophobicContact CG-CG2 4.18Å; L664-Y704 HydrophobicContact CB-CE2 4.38Å; L664-T705 PolarHBondContact N-O 3.35Å; L664-V706 HydrophobicContact CB-CG2 4.33Å; L664-V706 HydrophobicContact CD2-CG2 4.13Å; L664-V706 HydrophobicContact CG-CG2 4.38Å; L664-V706 WeakPolarHBondContact O-CA 3.25Å; L664-C707 PolarHBondContact O-N 2.86Å; L664-C733 HydrophobicContact CD1-CB 3.72Å; L664-E735 HydrophobicContact CD1-CB 4.41Å; L664-L769 HydrophobicContact CD1-CD1 4.07Å
665	S	98.6	Very high	97.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145	-174.7	178.6	0	0	0	0	111	Y423 E720 C733 W734 E735	Y423-S665 PolarHBondContact OH-OG 3.28Å; S665-E720 WeakPolarHBondContact CB-OE1 3.34Å; S665-E720 VanDerWaalsContact OG-CD 3.31Å; S665-E720 PolarHBondContact OG-OE1 2.81Å; S665-C733 PolarHBondContact N-O 3.17Å; S665-W734 CarbonylContact O-C 3.5Å; S665-W734 VanDerWaalsContact O-CA 3.31Å; S665-W734 WeakPolarHBondContact O-CA 3.21Å; S665-E735 PolarHBondContact O-N 3.44Å
666	G	98.6	Very high	97.8	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.4	177	179.7	0	0	0	0	0	112.1	D668 V669 N708 S709 E735	G666-D668 PolarHBondContact O-N 2.8Å; G666-V669 WeakPolarHBondContact O-CG2 3.47Å; G666-N708 CarbonylContact O-C 3.54Å; G666-N708 WeakPolarHBondContact O-CA 3.45Å; G666-S709 PolarHBondContact O-N 3.06Å; G666-S709 PolarHBondContact O-OG 3.39Å; G666-E735 WeakPolarHBondContact CA-O 3.46Å
667	Q	98.5	Very high	97.8	Very high	17 Å²	17	30 Å²	30	8%	0.079	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	125.8	-178.6	-65.5	164.2	16.3	0	0	110.2	V669 S709 E713 Q737	Q667-V669 PolarHBondContact O-N 2.86Å; Q667-S709 PolarHBondContact N-OG 2.88Å; Q667-E713 PolarHBondContact NE2-OE1 3.4Å; Q667-Q737 HydrophobicContact CB-CB 4.36Å
668	D	98	Very high	97.9	Very high	66 Å²	66	25.6 Å²	25.6	35%	0.353	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	16.5	178	-56.5	-70.6	0	0	0	116.1	G666 E670 R671 G672 N708 Q737	G666-D668 PolarHBondContact O-N 2.8Å; D668-E670 PolarHBondContact O-N 3.01Å; D668-E670 VanDerWaalsContact O-N 3.14Å; D668-R671 PolarHBondContact O-N 2.85Å; D668-G672 WeakPolarHBondContact O-CA 3.33Å; D668-G672 PolarHBondContact O-N 2.81Å; D668-N708 WeakPolarHBondContact CA-OD1 3.27Å; D668-Q737 PolarHBondContact OD2-NE2 3.07Å; D668-Q737 VanDerWaalsContact OD2-NE2 3.15Å
669	V	98.5	Very high	98	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-27.8	-173.8	-65.2	0	0	0	0	113.5	L664 G666 Q667 R671 G672 R677 V706 C707 N708 E735	L664-V669 HydrophobicContact CD2-CB 4.16Å; L664-V669 HydrophobicContact CG-CB 4.05Å; L664-V669 HydrophobicContact CG-CG2 4.18Å; G666-V669 WeakPolarHBondContact O-CG2 3.47Å; Q667-V669 PolarHBondContact O-N 2.86Å; V669-R671 VanDerWaalsContact C-N 3.3Å; V669-R671 PolarHBondContact O-N 2.91Å; V669-G672 PolarHBondContact O-N 2.97Å; V669-R677 VanDerWaalsContact O-CD 3.31Å; V669-R677 WeakPolarHBondContact O-CD 2.92Å; V669-R677 PolarHBondContact O-NH1 2.8Å; V669-V706 HydrophobicContact CG2-CG2 4.1Å; V669-C707 VanDerWaalsContact CG2-O 3.24Å; V669-C707 WeakPolarHBondContact CG2-O 3.48Å; V669-N708 PolarHBondContact N-OD1 2.84Å; V669-E735 HydrophobicContact CG1-CB 3.77Å; V669-E735 HydrophobicContact CG1-CG 4.38Å
670	E	98.3	Very high	98.1	Very high	37 Å²	37	19.5 Å²	19.5	17%	0.173	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-41.2	178.6	-71.5	176.7	-161.2	0	0	112.5	D668 H678 H679 V680 V706 N708	D668-E670 PolarHBondContact O-N 3.01Å; D668-E670 VanDerWaalsContact O-N 3.14Å; E670-H678 CarbonylContact O-C 3.18Å; E670-H679 PolarHBondContact O-N 2.88Å; E670-V680 HydrophobicContact CB-CB 3.93Å; E670-V680 HydrophobicContact CB-CG2 3.56Å; E670-V680 HydrophobicContact CG-CB 4.3Å; E670-V680 HydrophobicContact CG-CG2 3.48Å; E670-V680 VanDerWaalsContact CG-CG2 3.48Å; E670-V680 PolarHBondContact O-N 2.89Å; E670-V706 HydrophobicContact CB-CG2 4.47Å; E670-V706 HydrophobicContact CG-CG1 4.39Å; E670-V706 HydrophobicContact CG-CG2 3.88Å; E670-N708 WeakPolarHBondContact CB-OD1 3.49Å; E670-N708 VanDerWaalsContact CD-CG 3.47Å; E670-N708 WeakPolarHBondContact CG-OD1 3.34Å; E670-N708 PolarHBondContact N-OD1 2.85Å; E670-N708 VanDerWaalsContact N-OD1 3.1Å; E670-N708 PolarHBondContact OE1-N 2.96Å; E670-N708 PolarHBondContact OE1-ND2 2.96Å; E670-N708 PolarHBondContact OE2-ND2 3.04Å; E670-N708 VanDerWaalsContact OE2-ND2 3.09Å
671	R	98.3	Very high	98.1	Very high	115 Å²	115	18.7 Å²	18.7	43%	0.434	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-33.4	173.1	-170.3	-163.6	73.1	-164.4	1.8	111.4	D668 V669 T673 R677 H678	D668-R671 PolarHBondContact O-N 2.85Å; V669-R671 VanDerWaalsContact C-N 3.3Å; V669-R671 PolarHBondContact O-N 2.91Å; R671-T673 PolarHBondContact NH2-O 3.09Å; R671-R677 WeakPolarHBondContact O-CB 3.48Å; R671-R677 PolarHBondContact O-N 2.64Å; R671-R677 VanDerWaalsContact O-N 3.12Å; R671-H678 PolarHBondContact O-N 2.82Å
672	G	98.1	Very high	98.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.			trans	82.4	137.4	-161.4	0	0	0	0	0	111.1	D668 V669 F674 S675	D668-G672 WeakPolarHBondContact O-CA 3.33Å; D668-G672 PolarHBondContact O-N 2.81Å; V669-G672 PolarHBondContact O-N 2.97Å; G672-F674 PolarHBondContact O-N 3.43Å; G672-S675 PolarHBondContact O-N 2.79Å
673	T	97.9	Very high	98	Very high	21 Å²	21	23.5 Å²	23.5	13%	0.129	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.5	-48.1	176	-55.3	0	0	0	0	111.2	R671 S675 Q737 F738	R671-T673 PolarHBondContact NH2-O 3.09Å; T673-S675 VanDerWaalsContact C-N 3.28Å; T673-S675 PolarHBondContact O-N 3.48Å; T673-Q737 HydrophobicContact CG2-CG 3.58Å; T673-Q737 WeakPolarHBondContact OG1-CG 3.4Å; T673-Q737 PolarHBondContact OG1-O 3.23Å; T673-F738 HydrophobicContact CG2-CD2 4.47Å; T673-F738 HydrophobicContact CG2-CE2 3.95Å
674	F	97.8	Very high	97.9	Very high	39 Å²	39	28 Å²	28	17%	0.171	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	9.3	-176.6	-50.7	-73.8	0	0	0	113.9	G672 H676 F738 P771 K850 L853 R854	G672-F674 PolarHBondContact O-N 3.43Å; F674-H676 VanDerWaalsContact C-N 3.31Å; F674-H676 PolarHBondContact O-N 2.72Å; F674-F738 AromaticContact CE1-CE1 3.91Å; F674-F738 HydrophobicContact CE1-CE1 3.91Å; F674-F738 HydrophobicContact CE1-CE2 4.3Å; F674-F738 AromaticContact CE1-CZ 3.63Å; F674-F738 HydrophobicContact CE1-CZ 3.63Å; F674-F738 HydrophobicContact CZ-CD1 4.39Å; F674-F738 AromaticContact CZ-CE1 3.95Å; F674-F738 HydrophobicContact CZ-CE1 3.95Å; F674-F738 HydrophobicContact CZ-CE2 4.33Å; F674-F738 AromaticContact CZ-CZ 3.91Å; F674-F738 HydrophobicContact CZ-CZ 3.91Å; F674-P771 HydrophobicContact CE2-CB 3.82Å; F674-P771 HydrophobicContact CE2-CG 3.97Å; F674-P771 HydrophobicContact CZ-CB 3.95Å; F674-P771 HydrophobicContact CZ-CG 4.45Å; F674-K850 HydrophobicContact CE1-CB 4.12Å; F674-K850 HydrophobicContact CE1-CD 4.13Å; F674-K850 HydrophobicContact CE1-CG 3.92Å; F674-K850 HydrophobicContact CE2-CG 4.02Å; F674-K850 HydrophobicContact CZ-CB 4.16Å; F674-K850 HydrophobicContact CZ-CD 3.85Å; F674-K850 HydrophobicContact CZ-CG 3.51Å; F674-L853 HydrophobicContact CB-CD1 3.68Å; F674-L853 HydrophobicContact CD2-CD1 3.59Å; F674-L853 HydrophobicContact CG-CD1 3.8Å; F674-R854 PolarHBondContact O-NH1 3.23Å; F674-R854 PolarHBondContact O-NH2 2.99Å
675	S	97.4	Very high	97.9	Very high	42 Å²	42	35 Å²	35	29%	0.294	17%	0.167	S	C	.	.	S	Bend	trans	54.4	45.4	-175.9	-170.1	0	0	0	0	112.3	G672 T673 H678 R854	G672-S675 PolarHBondContact O-N 2.79Å; T673-S675 VanDerWaalsContact C-N 3.28Å; T673-S675 PolarHBondContact O-N 3.48Å; S675-H678 PolarHBondContact O-NE2 2.81Å; S675-H678 VanDerWaalsContact O-NE2 3.08Å; S675-H678 PolarHBondContact OG-CE1 3.2Å; S675-H678 PolarHBondContact OG-NE2 2.95Å; S675-R854 PolarHBondContact O-NH2 2.68Å
676	H	97.3	Very high	97.7	Very high	19 Å²	19	38.3 Å²	38.3	9%	0.088	19%	0.187	C	C	.	.			trans	-107.7	-30.1	179.6	64.3	-64.7	0	0	0	112.7	R633 A645 F674 L853	R633-H676 PolarHBondContact NH2-O 3.44Å; A645-H676 HydrophobicContact CB-CB 4.49Å; A645-H676 WeakPolarHBondContact CB-O 3.29Å; F674-H676 VanDerWaalsContact C-N 3.31Å; F674-H676 PolarHBondContact O-N 2.72Å; H676-L853 HydrophobicContact CB-CD1 4.17Å
677	R	97.8	Very high	97.5	Very high	1 Å²	1	44.9 Å²	44.9	0%	0.004	22%	0.222	C	C	.	.			trans	-88	-56.6	-165.8	-172.6	172.9	-64.2	108.5	-1.5	114	R633 E648 V669 R671 H679 E735	R633-R677 PolarHBondContact NH2-O 3Å; E648-R677 WeakPolarHBondContact OE1-CD 3.37Å; E648-R677 IonicContact OE1-CZ 2.6Å; E648-R677 IonicContact OE1-NE 3.34Å; E648-R677 PolarHBondContact OE1-NE 2.86Å; E648-R677 IonicContact OE1-NH2 3.7Å; E648-R677 IonicContact OE2-CZ 3.77Å; E648-R677 IonicContact OE2-NE 2.92Å; E648-R677 IonicContact OE2-NH2 2.65Å; E648-R677 PolarHBondContact OE2-NH2 2.97Å; V669-R677 VanDerWaalsContact O-CD 3.31Å; V669-R677 WeakPolarHBondContact O-CD 2.92Å; V669-R677 PolarHBondContact O-NH1 2.8Å; R671-R677 WeakPolarHBondContact O-CB 3.48Å; R671-R677 PolarHBondContact O-N 2.64Å; R671-R677 VanDerWaalsContact O-N 3.12Å; R677-H679 VanDerWaalsContact C-N 3.31Å; R677-H679 HydrophobicContact CG-CB 4.3Å; R677-H679 WeakPolarHBondContact CG-CD2 3.2Å; R677-H679 VanDerWaalsContact CG-CE1 3.48Å; R677-H679 WeakPolarHBondContact CG-CE1 2.97Å; R677-H679 VanDerWaalsContact CG-CG 3.49Å; R677-H679 VanDerWaalsContact CG-NE2 3.26Å; R677-H679 WeakPolarHBondContact CG-NE2 3.42Å; R677-H679 PolarHBondContact O-CD2 3Å; R677-H679 VanDerWaalsContact O-CD2 3.27Å; R677-H679 PolarHBondContact O-N 2.86Å; R677-E735 IonicContact CZ-OE1 3.87Å; R677-E735 IonicContact CZ-OE2 2.99Å; R677-E735 IonicContact NH1-OE1 2.64Å; R677-E735 IonicContact NH1-OE2 2.83Å; R677-E735 PolarHBondContact NH1-OE2 2.66Å; R677-E735 IonicContact NH2-OE1 3.23Å; R677-E735 PolarHBondContact NH2-OE1 2.74Å; R677-E735 IonicContact NH2-OE2 2.81Å; R677-E735 PolarHBondContact NH2-OE2 3.5Å
678	H	97.8	Very high	97.2	Very high	13 Å²	13	52.7 Å²	52.7	6%	0.06	26%	0.256	C	S	.	.			trans	47.1	48.7	177.7	-56.6	-66.2	0	0	0	114.2	L626 I629 E670 R671 S675 V680	L626-H678 HydrophobicContact CD2-CB 4.32Å; L626-H678 VanDerWaalsContact CD2-CE1 3.45Å; L626-H678 WeakPolarHBondContact CD2-CE1 3.15Å; L626-H678 VanDerWaalsContact CD2-ND1 3.33Å; L626-H678 WeakPolarHBondContact CD2-ND1 2.95Å; I629-H678 WeakPolarHBondContact CD1-NE2 3.47Å; E670-H678 CarbonylContact O-C 3.18Å; R671-H678 PolarHBondContact O-N 2.82Å; S675-H678 PolarHBondContact O-NE2 2.81Å; S675-H678 VanDerWaalsContact O-NE2 3.08Å; S675-H678 PolarHBondContact OG-CE1 3.2Å; S675-H678 PolarHBondContact OG-NE2 2.95Å; H678-V680 VanDerWaalsContact C-N 3.31Å
679	H	97.9	Very high	97.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.254	C	S	.	.			trans	-77.5	-22.8	175.9	-73	-175.9	0	0	0	112.1	E648 Y649 F652 E670 R677 V692 P693 Y704 V706	E648-H679 IonicContact OE1-CE1 3.89Å; E648-H679 IonicContact OE1-NE2 3.47Å; Y649-H679 AromaticContact CD2-CD2 3.51Å; Y649-H679 AromaticContact CD2-NE2 3.27Å; Y649-H679 VanDerWaalsContact CD2-NE2 3.27Å; Y649-H679 WeakPolarHBondContact CD2-NE2 3.47Å; Y649-H679 AromaticContact CE2-CD2 3.72Å; Y649-H679 AromaticContact CE2-NE2 3.95Å; F652-H679 AromaticContact CD2-CE1 3.99Å; E670-H679 PolarHBondContact O-N 2.88Å; R677-H679 VanDerWaalsContact C-N 3.31Å; R677-H679 HydrophobicContact CG-CB 4.3Å; R677-H679 WeakPolarHBondContact CG-CD2 3.2Å; R677-H679 VanDerWaalsContact CG-CE1 3.48Å; R677-H679 WeakPolarHBondContact CG-CE1 2.97Å; R677-H679 VanDerWaalsContact CG-CG 3.49Å; R677-H679 VanDerWaalsContact CG-NE2 3.26Å; R677-H679 WeakPolarHBondContact CG-NE2 3.42Å; R677-H679 PolarHBondContact O-CD2 3Å; R677-H679 VanDerWaalsContact O-CD2 3.27Å; R677-H679 PolarHBondContact O-N 2.86Å; H679-V692 WeakPolarHBondContact O-CA 3.22Å; H679-P693 WeakPolarHBondContact O-CD 3.47Å; H679-Y704 HydrophobicContact CB-CE1 4.15Å; H679-Y704 AromaticContact ND1-CE1 3.87Å; H679-Y704 AromaticContact ND1-CZ 3.58Å; H679-Y704 PolarHBondContact ND1-OH 2.83Å; H679-V706 HydrophobicContact CB-CG1 4.5Å
680	V	97.9	Very high	97	Very high	11 Å²	11	56.8 Å²	56.8	7%	0.067	28%	0.275	C	S	.	.	S	Bend	trans	-108.6	126.8	168.6	-170.9	0	0	0	0	109.1	E670 H678 T690 V692 V706	E670-V680 HydrophobicContact CB-CB 3.93Å; E670-V680 HydrophobicContact CB-CG2 3.56Å; E670-V680 HydrophobicContact CG-CB 4.3Å; E670-V680 HydrophobicContact CG-CG2 3.48Å; E670-V680 VanDerWaalsContact CG-CG2 3.48Å; E670-V680 PolarHBondContact O-N 2.89Å; H678-V680 VanDerWaalsContact C-N 3.31Å; V680-T690 HydrophobicContact CG1-CG2 3.91Å; V680-V692 HydrophobicContact CG1-CG2 4.49Å; V680-V692 HydrophobicContact CG2-CG2 4.06Å; V680-V706 HydrophobicContact CG2-CG1 3.56Å
681	L	97.7	Very high	96.9	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	141.4	172.8	-53.9	-178.6	0	0	0	108.7	V615 F620 I622 L626 T690 C691 P693	V615-L681 HydrophobicContact CG1-CD1 4.46Å; V615-L681 HydrophobicContact CG2-CD1 4.04Å; F620-L681 HydrophobicContact CE1-CB 4Å; F620-L681 HydrophobicContact CZ-CB 4.12Å; F620-L681 WeakPolarHBondContact CZ-O 3.18Å; I622-L681 HydrophobicContact CG2-CD1 4.48Å; L626-L681 HydrophobicContact CD1-CD2 4.26Å; L681-T690 CarbonylContact O-C 3.53Å; L681-T690 WeakPolarHBondContact O-CA 3.28Å; L681-T690 WeakPolarHBondContact O-CB 3.5Å; L681-C691 HydrophobicContact CB-CB 4.42Å; L681-C691 PolarHBondContact N-O 3.22Å; L681-C691 PolarHBondContact O-N 2.83Å; L681-P693 HydrophobicContact CD1-CG 3.62Å; L681-P693 HydrophobicContact CG-CG 4.02Å
682	H	97.1	Very high	96.9	Very high	92 Å²	92	51 Å²	51	43%	0.426	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.8	177.8	-64.9	-102.2	0	0	0	110.3	F620 Q684	F620-H682 VanDerWaalsContact CZ-C 3.44Å; H682-Q684 PolarHBondContact O-NE2 3.37Å
683	D	97.7	Very high	96.9	Very high	14 Å²	14	51.2 Å²	51.2	8%	0.075	26%	0.256	C	S	.	.			trans	-67.8	134	172.8	-162.7	-52.9	0	0	0	109	F620 K621 E685 V686 R689	F620-D683 HydrophobicContact CD2-CB 4.32Å; F620-D683 HydrophobicContact CE1-CB 4.26Å; F620-D683 HydrophobicContact CE2-CB 3.95Å; F620-D683 HydrophobicContact CZ-CB 3.92Å; K621-D683 PolarHBondContact N-OD2 2.97Å; K621-D683 CarbonylContact O-C 3.4Å; K621-D683 WeakPolarHBondContact O-CA 3.28Å; D683-E685 VanDerWaalsContact C-N 3.35Å; D683-E685 PolarHBondContact OD1-N 3.36Å; D683-V686 HydrophobicContact CB-CB 4.29Å; D683-V686 PolarHBondContact OD1-N 3.29Å; D683-R689 HydrophobicContact CB-CB 3.86Å; D683-R689 HydrophobicContact CB-CG 4.12Å; D683-R689 WeakPolarHBondContact CB-O 3.4Å; D683-R689 PolarHBondContact N-O 2.88Å; D683-R689 IonicContact OD2-CZ 3.39Å; D683-R689 IonicContact OD2-NE 3.74Å; D683-R689 IonicContact OD2-NH1 3.51Å; D683-R689 PolarHBondContact OD2-NH1 2.76Å
684	Q	97.3	Very high	96.8	Very high	101 Å²	101	50.2 Å²	50.2	47%	0.472	25%	0.25	S	C	.	.	S	Bend	trans	-83.5	-12.2	-178.7	-60.6	-61.2	-84.5	0	0	113.3	K621 H623 H682	K621-Q684 HydrophobicContact CB-CB 4.39Å; K621-Q684 HydrophobicContact CG-CB 3.9Å; K621-Q684 HydrophobicContact CG-CG 4.47Å; K621-Q684 WeakPolarHBondContact O-CG 3.47Å; K621-Q684 PolarHBondContact O-N 2.94Å; H623-Q684 HydrophobicContact CB-CG 4.12Å; H623-Q684 PolarHBondContact CD2-OE1 3.31Å; H682-Q684 PolarHBondContact O-NE2 3.37Å
685	E	96.8	Very high	96.8	Very high	145 Å²	145	51.3 Å²	51.3	68%	0.678	26%	0.258	S	S	*	.	S	Bend	trans	-116.4	-16.7	-175.6	-69.7	174	-164.9	0	0	112.5	K621 D683	K621-E685 HydrophobicContact CB-CB 4.43Å; K621-E685 HydrophobicContact CB-CG 4.17Å; K621-E685 WeakPolarHBondContact CE-OE1 3.34Å; K621-E685 HydrophobicContact CG-CG 4.02Å; K621-E685 IonicContact NZ-OE1 3.49Å; D683-E685 VanDerWaalsContact C-N 3.35Å; D683-E685 PolarHBondContact OD1-N 3.36Å
686	V	96.3	Very high	96.8	Very high	70 Å²	70	53.8 Å²	53.8	42%	0.424	26%	0.264	S	S	.	.	S	Bend	trans	-123.3	117.1	-179.4	-171.7	0	0	0	0	111.2	D683 R689	D683-V686 HydrophobicContact CB-CB 4.29Å; D683-V686 PolarHBondContact OD1-N 3.29Å; V686-R689 HydrophobicContact CB-CB 3.87Å; V686-R689 HydrophobicContact CG1-CB 3.81Å; V686-R689 PolarHBondContact O-N 2.93Å
687	D	93.5	Very high	96.8	Very high	138 Å²	138	53.1 Å²	53.1	74%	0.738	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	143	179.2	-174	38.3	0	0	0	112.3	R689	D687-R689 PolarHBondContact O-N 3.28Å
688	K	92.4	Very high	96.7	Very high	181 Å²	181	55.5 Å²	55.5	79%	0.787	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	6.3	-178.8	-62.3	172.6	-174	178.9	0	116	T690	K688-T690 PolarHBondContact O-N 3.02Å
689	R	96.2	Very high	96.5	Very high	81 Å²	81	64.4 Å²	64.4	31%	0.306	31%	0.312	S	S	.	.			trans	-80.4	107.6	175	-173.2	178.8	-177.5	-155.4	5	109.1	K618 D619 F620 D683 V686 D687	K618-R689 PolarHBondContact O-NH2 3.15Å; D619-R689 PolarHBondContact O-NH1 2.9Å; F620-R689 HydrophobicContact CD2-CG 4.48Å; F620-R689 HydrophobicContact CE2-CG 4.17Å; D683-R689 HydrophobicContact CB-CB 3.86Å; D683-R689 HydrophobicContact CB-CG 4.12Å; D683-R689 WeakPolarHBondContact CB-O 3.4Å; D683-R689 PolarHBondContact N-O 2.88Å; D683-R689 IonicContact OD2-CZ 3.39Å; D683-R689 IonicContact OD2-NE 3.74Å; D683-R689 IonicContact OD2-NH1 3.51Å; D683-R689 PolarHBondContact OD2-NH1 2.76Å; V686-R689 HydrophobicContact CB-CB 3.87Å; V686-R689 HydrophobicContact CG1-CB 3.81Å; V686-R689 PolarHBondContact O-N 2.93Å; D687-R689 PolarHBondContact O-N 3.28Å
690	T	96.3	Very high	96.3	Very high	71 Å²	71	72.8 Å²	72.8	44%	0.436	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	159.1	176.6	61.8	0	0	0	0	111.7	V680 L681 K688	V680-T690 HydrophobicContact CG1-CG2 3.91Å; L681-T690 CarbonylContact O-C 3.53Å; L681-T690 WeakPolarHBondContact O-CA 3.28Å; L681-T690 WeakPolarHBondContact O-CB 3.5Å; K688-T690 PolarHBondContact O-N 3.02Å
691	C	96.6	Very high	96.2	Very high	4 Å²	4	74.2 Å²	74.2	3%	0.027	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	133.6	170.2	172.4	0	0	0	0	108.1	V617 F620 L681 P693	V617-C691 HydrophobicContact CG2-CB 3.99Å; V617-C691 WeakPolarHBondContact CG2-SG 3.44Å; F620-C691 HydrophobicContact CD2-CB 4.17Å; F620-C691 HydrophobicContact CE2-CB 3.68Å; F620-C691 HydrophobicContact CZ-CB 3.95Å; L681-C691 HydrophobicContact CB-CB 4.42Å; L681-C691 PolarHBondContact N-O 3.22Å; L681-C691 PolarHBondContact O-N 2.83Å; C691-P693 WeakPolarHBondContact O-CD 3.43Å
692	V	97.5	Very high	96.2	Very high	26 Å²	26	74.7 Å²	74.7	16%	0.158	36%	0.361	C	S	.	.			trans	-109.2	93.5	171.2	-175	0	0	0	0	107.3	H679 V680 M694 N695 H696 Y704 V706	H679-V692 WeakPolarHBondContact O-CA 3.22Å; V680-V692 HydrophobicContact CG1-CG2 4.49Å; V680-V692 HydrophobicContact CG2-CG2 4.06Å; V692-M694 HydrophobicContact CG1-CB 4.41Å; V692-M694 PolarHBondContact O-N 2.65Å; V692-N695 HydrophobicContact CB-CB 4.46Å; V692-N695 PolarHBondContact O-N 2.84Å; V692-H696 PolarHBondContact O-CD2 2.82Å; V692-H696 VanDerWaalsContact O-CD2 3.32Å; V692-Y704 HydrophobicContact CG1-CD1 3.8Å; V692-Y704 HydrophobicContact CG1-CE1 4.11Å; V692-V706 HydrophobicContact CG1-CG1 4.27Å
693	P	97.2	Very high	96.1	Very high	5 Å²	5	73.4 Å²	73.4	3%	0.032	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-56.2	-28	-173.9	-27	35.7	0	0	0	113.8	V611 P616 H679 L681 C691 N695 H696	V611-P693 WeakPolarHBondContact CG1-O 3.29Å; P616-P693 HydrophobicContact CG-CB 4.11Å; H679-P693 WeakPolarHBondContact O-CD 3.47Å; L681-P693 HydrophobicContact CD1-CG 3.62Å; L681-P693 HydrophobicContact CG-CG 4.02Å; C691-P693 WeakPolarHBondContact O-CD 3.43Å; P693-N695 PolarHBondContact O-N 3.37Å; P693-H696 PolarHBondContact O-N 2.98Å
694	M	97.2	Very high	96.1	Very high	0 Å²	0	73 Å²	73	0%	0	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-66.5	-22.1	179.4	-162.3	178.3	-75.1	0	0	113.2	Y649 F652 L656 V692 H696 L697 Q701 Y704	Y649-M694 HydrophobicContact CD1-CE 3.53Å; Y649-M694 HydrophobicContact CD2-CE 3.45Å; Y649-M694 VanDerWaalsContact CD2-CE 3.45Å; Y649-M694 HydrophobicContact CE1-CB 4.23Å; Y649-M694 HydrophobicContact CE1-CE 3.61Å; Y649-M694 HydrophobicContact CE1-CG 4.06Å; Y649-M694 HydrophobicContact CE2-CB 4.38Å; Y649-M694 HydrophobicContact CE2-CE 3.53Å; Y649-M694 HydrophobicContact CG-CE 3.45Å; Y649-M694 VanDerWaalsContact CG-CE 3.45Å; Y649-M694 WeakPolarHBondContact OH-CA 3.2Å; Y649-M694 WeakPolarHBondContact OH-CB 3.01Å; Y649-M694 PolarHBondContact OH-N 3.27Å; F652-M694 HydrophobicContact CB-CE 3.91Å; F652-M694 HydrophobicContact CB-SD 3.73Å; F652-M694 HydrophobicContact CD2-CE 4.3Å; F652-M694 HydrophobicContact CD2-SD 4.49Å; L656-M694 HydrophobicContact CD1-CG 3.7Å; L656-M694 HydrophobicContact CD1-SD 4.18Å; V692-M694 HydrophobicContact CG1-CB 4.41Å; V692-M694 PolarHBondContact O-N 2.65Å; M694-H696 PolarHBondContact O-N 3.5Å; M694-L697 HydrophobicContact CG-CD1 3.92Å; M694-L697 WeakPolarHBondContact O-CG 3.17Å; M694-Q701 PolarHBondContact O-NE2 2.92Å; M694-Q701 PolarHBondContact O-OE1 2.72Å; M694-Y704 HydrophobicContact CB-CD1 3.72Å; M694-Y704 HydrophobicContact CB-CE1 4.17Å; M694-Y704 HydrophobicContact CB-CG 4.41Å; M694-Y704 HydrophobicContact CE-CE1 4.42Å; M694-Y704 HydrophobicContact CG-CD1 3.97Å; M694-Y704 HydrophobicContact CG-CE1 4.46Å; M694-Y704 HydrophobicContact CG-CG 4.22Å; M694-Y704 HydrophobicContact SD-CD1 3.55Å; M694-Y704 VanDerWaalsContact SD-CD1 3.55Å; M694-Y704 HydrophobicContact SD-CD2 3.87Å; M694-Y704 HydrophobicContact SD-CE1 3.65Å; M694-Y704 HydrophobicContact SD-CE2 3.99Å; M694-Y704 HydrophobicContact SD-CG 3.64Å
695	N	97.2	Very high	96.1	Very high	63 Å²	63	69.7 Å²	69.7	34%	0.337	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-81.3	6.2	172.2	-76.7	-32.4	0	0	0	113.3	V692 P693 Y704	V692-N695 HydrophobicContact CB-CB 4.46Å; V692-N695 PolarHBondContact O-N 2.84Å; P693-N695 PolarHBondContact O-N 3.37Å; N695-Y704 PolarHBondContact ND2-O 3.36Å; N695-Y704 WeakPolarHBondContact OD1-CB 3.49Å; N695-Y704 PolarHBondContact OD1-N 3.24Å; N695-Y704 VanDerWaalsContact OD1-N 3.12Å; N695-Y704 PolarHBondContact OD1-O 3.28Å
696	H	96.9	Very high	96.2	Very high	94 Å²	94	63.6 Å²	63.6	44%	0.435	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-126.3	25.5	179.1	-57.3	-80.2	0	0	0	112.3	P616 V692 P693 M694	P616-H696 HydrophobicContact CB-CB 3.86Å; P616-H696 HydrophobicContact CG-CB 3.76Å; V692-H696 PolarHBondContact O-CD2 2.82Å; V692-H696 VanDerWaalsContact O-CD2 3.32Å; P693-H696 PolarHBondContact O-N 2.98Å; M694-H696 PolarHBondContact O-N 3.5Å
697	L	97.1	Very high	96.2	Very high	5 Å²	5	60.3 Å²	60.3	3%	0.026	30%	0.298	C	S	.	.	S	Bend	trans	-71.1	-42.3	176.9	-71.1	168.4	0	0	0	111.6	H607 I608 V611 G653 L656 M694	H607-L697 PolarHBondContact CE1-O 3.42Å; H607-L697 PolarHBondContact NE2-O 2.88Å; I608-L697 HydrophobicContact CB-CD2 4.26Å; I608-L697 HydrophobicContact CG1-CD2 4.14Å; I608-L697 HydrophobicContact CG2-CD2 4.12Å; V611-L697 HydrophobicContact CB-CD2 3.59Å; V611-L697 HydrophobicContact CG1-CD2 3.72Å; V611-L697 HydrophobicContact CG1-CG 4.34Å; V611-L697 HydrophobicContact CG2-CD2 3.97Å; G653-L697 VanDerWaalsContact CA-CD1 3.46Å; L656-L697 HydrophobicContact CD1-CD1 4.14Å; M694-L697 HydrophobicContact CG-CD1 3.92Å; M694-L697 WeakPolarHBondContact O-CG 3.17Å
698	W	96.7	Very high	96.4	Very high	50 Å²	50	56.6 Å²	56.6	19%	0.189	28%	0.278	C	S	.	.			trans	-146.2	156.8	175.7	-59.2	-82.3	0	0	0	110.5	L604 H607 I608 G653 K657 Q700 Q701	L604-W698 HydrophobicContact CD2-CH2 4.33Å; L604-W698 HydrophobicContact CD2-CZ2 3.75Å; H607-W698 AromaticContact CD2-CE2 3.48Å; H607-W698 VanDerWaalsContact CD2-CE2 3.48Å; H607-W698 AromaticContact CD2-CZ2 3.26Å; H607-W698 WeakPolarHBondContact CD2-CZ2 3.4Å; H607-W698 AromaticContact CD2-NE1 3.61Å; H607-W698 AromaticContact NE2-CD1 3.94Å; H607-W698 AromaticContact NE2-CE2 3.48Å; H607-W698 AromaticContact NE2-CZ2 3.76Å; H607-W698 AromaticContact NE2-NE1 3.35Å; H607-W698 PolarHBondContact NE2-NE1 3.21Å; I608-W698 HydrophobicContact CD1-CH2 4.08Å; I608-W698 HydrophobicContact CG1-CH2 3.75Å; I608-W698 HydrophobicContact CG1-CZ2 4.36Å; G653-W698 WeakPolarHBondContact O-CZ3 3.38Å; K657-W698 HydrophobicContact CB-CE3 4.03Å; K657-W698 HydrophobicContact CB-CH2 3.72Å; K657-W698 HydrophobicContact CB-CZ2 4.2Å; K657-W698 HydrophobicContact CB-CZ3 3.63Å; K657-W698 HydrophobicContact CD-CD2 3.86Å; K657-W698 HydrophobicContact CD-CE3 4.13Å; K657-W698 HydrophobicContact CD-CG 4.28Å; K657-W698 HydrophobicContact CD-CZ2 4.26Å; K657-W698 HydrophobicContact CD-CZ3 4.48Å; K657-W698 HydrophobicContact CG-CH2 4.31Å; K657-W698 HydrophobicContact CG-CZ2 4.29Å; K657-W698 HydrophobicContact CG-CZ3 4.46Å; W698-Q700 VanDerWaalsContact C-N 3.29Å; W698-Q700 PolarHBondContact O-N 2.83Å; W698-Q701 HydrophobicContact CB-CB 4.4Å; W698-Q701 HydrophobicContact CE3-CB 4.27Å; W698-Q701 PolarHBondContact O-OE1 3.45Å
699	E	93.1	Very high	96.6	Very high	201 Å²	201	49 Å²	49	94%	0.939	25%	0.247	S	C	*	.	S	Bend	trans	-62	-37.6	175.9	-65.7	-176	171.9	0	0	112.5
700	Q	93.7	Very high	96.6	Very high	176 Å²	176	45.9 Å²	45.9	82%	0.822	24%	0.238	S	C	*	.	S	Bend	trans	-115.5	89.1	176.9	-64.5	176	19	0	0	108.9	W698	W698-Q700 VanDerWaalsContact C-N 3.29Å; W698-Q700 PolarHBondContact O-N 2.83Å
701	Q	96.2	Very high	96.7	Very high	41 Å²	41	49.9 Å²	49.9	19%	0.192	26%	0.256	C	S	.	.			trans	-128.4	160.6	175	63.1	172.7	89.5	0	0	110.6	L656 M694 W698	L656-Q701 HydrophobicContact CB-CB 4.22Å; L656-Q701 VanDerWaalsContact CD1-NE2 3.25Å; M694-Q701 PolarHBondContact O-NE2 2.92Å; M694-Q701 PolarHBondContact O-OE1 2.72Å; W698-Q701 HydrophobicContact CB-CB 4.4Å; W698-Q701 HydrophobicContact CE3-CB 4.27Å; W698-Q701 PolarHBondContact O-OE1 3.45Å
702	A	96.8	Very high	96.8	Very high	10 Å²	10	50 Å²	50	8%	0.083	26%	0.257	C	S	.	.			trans	-66.5	155.7	167	0	0	0	0	0	111	L656 I660	L656-A702 HydrophobicContact CD2-CB 4.32Å; L656-A702 PolarHBondContact O-N 3.09Å; I660-A702 WeakPolarHBondContact O-CB 3.14Å
703	P	95.4	Very high	96.8	Very high	65 Å²	65	49.9 Å²	49.9	42%	0.422	26%	0.255	S	S	.	.			trans	-62.4	145.4	175.6	-23	34.5	0	0	0	112.3	F384 L656 H661 V662	F384-P703 HydrophobicContact CZ-CB 3.82Å; F384-P703 HydrophobicContact CZ-CG 3.85Å; L656-P703 VanDerWaalsContact CD2-O 3.31Å; L656-P703 WeakPolarHBondContact CD2-O 3.48Å; H661-P703 PolarHBondContact CD2-O 2.83Å; H661-P703 VanDerWaalsContact CD2-O 3.25Å; V662-P703 PolarHBondContact N-O 3.4Å
704	Y	98.2	Very high	96.9	Very high	7 Å²	7	51.2 Å²	51.2	3%	0.027	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	120.5	160.4	173.8	-121.9	0	0	0	109.9	F652 L656 V662 L664 H679 V692 M694 N695 V706	F652-Y704 HydrophobicContact CD2-CE2 4.12Å; L656-Y704 HydrophobicContact CD1-CG 4.49Å; V662-Y704 HydrophobicContact CB-CD2 3.83Å; V662-Y704 HydrophobicContact CB-CE2 4.32Å; V662-Y704 HydrophobicContact CG1-CD2 3.83Å; V662-Y704 HydrophobicContact CG1-CE2 3.79Å; V662-Y704 WeakPolarHBondContact O-CA 3.32Å; V662-Y704 WeakPolarHBondContact O-CD2 3.19Å; L664-Y704 HydrophobicContact CB-CE2 4.38Å; H679-Y704 HydrophobicContact CB-CE1 4.15Å; H679-Y704 AromaticContact ND1-CE1 3.87Å; H679-Y704 AromaticContact ND1-CZ 3.58Å; H679-Y704 PolarHBondContact ND1-OH 2.83Å; V692-Y704 HydrophobicContact CG1-CD1 3.8Å; V692-Y704 HydrophobicContact CG1-CE1 4.11Å; M694-Y704 HydrophobicContact CB-CD1 3.72Å; M694-Y704 HydrophobicContact CB-CE1 4.17Å; M694-Y704 HydrophobicContact CB-CG 4.41Å; M694-Y704 HydrophobicContact CE-CE1 4.42Å; M694-Y704 HydrophobicContact CG-CD1 3.97Å; M694-Y704 HydrophobicContact CG-CE1 4.46Å; M694-Y704 HydrophobicContact CG-CG 4.22Å; M694-Y704 HydrophobicContact SD-CD1 3.55Å; M694-Y704 VanDerWaalsContact SD-CD1 3.55Å; M694-Y704 HydrophobicContact SD-CD2 3.87Å; M694-Y704 HydrophobicContact SD-CE1 3.65Å; M694-Y704 HydrophobicContact SD-CE2 3.99Å; M694-Y704 HydrophobicContact SD-CG 3.64Å; N695-Y704 PolarHBondContact ND2-O 3.36Å; N695-Y704 WeakPolarHBondContact OD1-CB 3.49Å; N695-Y704 PolarHBondContact OD1-N 3.24Å; N695-Y704 VanDerWaalsContact OD1-N 3.12Å; N695-Y704 PolarHBondContact OD1-O 3.28Å; Y704-V706 HydrophobicContact CD1-CG1 4.35Å; Y704-V706 HydrophobicContact CE1-CB 3.69Å; Y704-V706 HydrophobicContact CE1-CG1 3.69Å; Y704-V706 HydrophobicContact CE2-CB 4.4Å; Y704-V706 WeakPolarHBondContact OH-CB 3.37Å
705	T	97.6	Very high	97	Very high	31 Å²	31	51.2 Å²	51.2	19%	0.19	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	109.2	177.5	-53.1	0	0	0	0	109	H661 V662 R663 L664	H661-T705 PolarHBondContact NE2-OG1 3.11Å; V662-T705 PolarHBondContact O-N 3.42Å; R663-T705 CarbonylContact C-O 3.55Å; R663-T705 VanDerWaalsContact CA-O 3.24Å; R663-T705 WeakPolarHBondContact CA-O 3.03Å; R663-T705 HydrophobicContact CG-CG2 4.41Å; L664-T705 PolarHBondContact N-O 3.35Å
706	V	98	Very high	97	Very high	17 Å²	17	48.2 Å²	48.2	10%	0.103	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.2	168.7	60.5	0	0	0	0	108.6	L664 V669 E670 H679 V680 V692 Y704	L664-V706 HydrophobicContact CB-CG2 4.33Å; L664-V706 HydrophobicContact CD2-CG2 4.13Å; L664-V706 HydrophobicContact CG-CG2 4.38Å; L664-V706 WeakPolarHBondContact O-CA 3.25Å; V669-V706 HydrophobicContact CG2-CG2 4.1Å; E670-V706 HydrophobicContact CB-CG2 4.47Å; E670-V706 HydrophobicContact CG-CG1 4.39Å; E670-V706 HydrophobicContact CG-CG2 3.88Å; H679-V706 HydrophobicContact CB-CG1 4.5Å; V680-V706 HydrophobicContact CG2-CG1 3.56Å; V692-V706 HydrophobicContact CG1-CG1 4.27Å; Y704-V706 HydrophobicContact CD1-CG1 4.35Å; Y704-V706 HydrophobicContact CE1-CB 3.69Å; Y704-V706 HydrophobicContact CE1-CG1 3.69Å; Y704-V706 HydrophobicContact CE2-CB 4.4Å; Y704-V706 WeakPolarHBondContact OH-CB 3.37Å
707	C	95.9	Very high	97.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	127.9	-177.4	54.5	0	0	0	0	112.4	S422 L664 V669 S709	S422-C707 VanDerWaalsContact CB-CB 3.41Å; S422-C707 VanDerWaalsContact OG-CB 3.24Å; S422-C707 WeakPolarHBondContact OG-CB 3.44Å; L664-C707 PolarHBondContact O-N 2.86Å; V669-C707 VanDerWaalsContact CG2-O 3.24Å; V669-C707 WeakPolarHBondContact CG2-O 3.48Å; C707-S709 PolarHBondContact O-N 3.31Å
708	N	98.1	Very high	97.2	Very high	61 Å²	61	43.5 Å²	43.5	33%	0.326	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	130.1	165.4	-64.1	-33.5	0	0	0	109.8	G666 D668 V669 E670	G666-N708 CarbonylContact O-C 3.54Å; G666-N708 WeakPolarHBondContact O-CA 3.45Å; D668-N708 WeakPolarHBondContact CA-OD1 3.27Å; V669-N708 PolarHBondContact N-OD1 2.84Å; E670-N708 WeakPolarHBondContact CB-OD1 3.49Å; E670-N708 VanDerWaalsContact CD-CG 3.47Å; E670-N708 WeakPolarHBondContact CG-OD1 3.34Å; E670-N708 PolarHBondContact N-OD1 2.85Å; E670-N708 VanDerWaalsContact N-OD1 3.1Å; E670-N708 PolarHBondContact OE1-N 2.96Å; E670-N708 PolarHBondContact OE1-ND2 2.96Å; E670-N708 PolarHBondContact OE2-ND2 3.04Å; E670-N708 VanDerWaalsContact OE2-ND2 3.09Å
709	S	97.9	Very high	97.3	Very high	20 Å²	20	41.1 Å²	41.1	14%	0.14	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-82.5	166.8	174.2	74.3	0	0	0	0	112.3	Y423 G666 Q667 C707	Y423-S709 WeakPolarHBondContact OH-CA 3.48Å; Y423-S709 WeakPolarHBondContact OH-CB 3.29Å; G666-S709 PolarHBondContact O-N 3.06Å; G666-S709 PolarHBondContact O-OG 3.39Å; Q667-S709 PolarHBondContact N-OG 2.88Å; C707-S709 PolarHBondContact O-N 3.31Å
710	S	95.7	Very high	97.6	Very high	17 Å²	17	31.6 Å²	31.6	12%	0.119	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-63.8	168.1	158.2	59.2	0	0	0	0	110.3	L417 S712	L417-S710 WeakPolarHBondContact CD2-OG 3.27Å; S710-S712 PolarHBondContact O-N 2.78Å
711	L	97.8	Very high	97.8	Very high	154 Å²	154	23.5 Å²	23.5	81%	0.806	13%	0.13	S	C	*	.	S	Bend	trans	-81	66.8	177.3	-154.4	146	0	0	0	110
712	S	98	Very high	97.9	Very high	8 Å²	8	21.5 Å²	21.5	6%	0.056	12%	0.121	C	C	.	.			trans	-144	132.4	-179.3	152.8	0	0	0	0	107.8	E413 S710 G715 V716	E413-S712 WeakPolarHBondContact OE2-CB 3.49Å; E413-S712 PolarHBondContact OE2-OG 3.05Å; S710-S712 PolarHBondContact O-N 2.78Å; S712-G715 PolarHBondContact OG-N 2.99Å; S712-V716 VanDerWaalsContact O-CB 3.25Å; S712-V716 WeakPolarHBondContact O-CB 3.23Å; S712-V716 WeakPolarHBondContact O-CG2 3.12Å; S712-V716 PolarHBondContact OG-N 2.72Å
713	E	98.8	Very high	97.9	Very high	23 Å²	23	21.2 Å²	21.2	11%	0.107	12%	0.118	C	C	.	.	S	Bend	trans	-103.8	-37.3	170.1	-54.1	70.6	-149.6	0	0	111.9	Q667 L717 W734 T744 A745	Q667-E713 PolarHBondContact NE2-OE1 3.4Å; E713-L717 WeakPolarHBondContact O-CB 3.16Å; E713-L717 PolarHBondContact O-N 2.91Å; E713-W734 HydrophobicContact CB-CH2 4.38Å; E713-W734 HydrophobicContact CB-CZ2 3.83Å; E713-W734 HydrophobicContact CG-CH2 4.33Å; E713-W734 HydrophobicContact CG-CZ2 3.85Å; E713-T744 WeakPolarHBondContact CB-OG1 3.15Å; E713-T744 WeakPolarHBondContact CG-OG1 3.36Å; E713-T744 PolarHBondContact OE2-OG1 3.29Å; E713-A745 HydrophobicContact CB-CB 4.05Å; E713-A745 WeakPolarHBondContact O-CB 3.42Å
714	Y	98.6	Very high	98	Very high	33 Å²	33	18.4 Å²	18.4	13%	0.129	10%	0.1	C	C	.	.	H	α-helix	trans	-65.3	-54.7	-177.9	-166.5	173.2	0	0	0	110.3	A370 V410 G718 C747 I748	A370-Y714 HydrophobicContact CB-CE2 4.3Å; A370-Y714 VanDerWaalsContact CB-OH 3.28Å; A370-Y714 WeakPolarHBondContact CB-OH 3.36Å; V410-Y714 HydrophobicContact CB-CD1 3.94Å; V410-Y714 HydrophobicContact CB-CD2 4.42Å; V410-Y714 HydrophobicContact CB-CE1 3.86Å; V410-Y714 HydrophobicContact CB-CE2 4.34Å; V410-Y714 HydrophobicContact CB-CG 4.23Å; V410-Y714 HydrophobicContact CG1-CE1 4.36Å; V410-Y714 HydrophobicContact CG2-CD1 4.16Å; V410-Y714 HydrophobicContact CG2-CD2 3.8Å; V410-Y714 HydrophobicContact CG2-CE1 4.27Å; V410-Y714 HydrophobicContact CG2-CE2 3.9Å; V410-Y714 HydrophobicContact CG2-CG 3.93Å; Y714-G718 PolarHBondContact O-N 2.8Å; Y714-G718 VanDerWaalsContact O-N 3.15Å; Y714-C747 HydrophobicContact CE1-CB 4.33Å; Y714-C747 HydrophobicContact CE2-CB 3.98Å; Y714-C747 WeakPolarHBondContact OH-CB 3.46Å; Y714-C747 PolarHBondContact OH-SG 3.34Å; Y714-I748 HydrophobicContact CD2-CD1 4Å; Y714-I748 HydrophobicContact CD2-CG1 3.54Å; Y714-I748 HydrophobicContact CE2-CD1 3.69Å; Y714-I748 HydrophobicContact CE2-CG1 3.63Å
715	G	98.5	Very high	97.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.3	-47	175	0	0	0	0	0	112.9	P373 E413 S712 F719	P373-G715 WeakPolarHBondContact CB-O 3.4Å; E413-G715 PolarHBondContact OE2-N 2.92Å; S712-G715 PolarHBondContact OG-N 2.99Å; G715-F719 WeakPolarHBondContact O-CB 3.38Å; G715-F719 PolarHBondContact O-N 3.27Å
716	V	98.8	Very high	97.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-71.4	-44.5	-175.6	178.2	0	0	0	0	112.4	L417 Y423 S712 G718 F719 E720	L417-V716 HydrophobicContact CD2-CG2 4.24Å; Y423-V716 HydrophobicContact CE1-CG1 4.21Å; S712-V716 VanDerWaalsContact O-CB 3.25Å; S712-V716 WeakPolarHBondContact O-CB 3.23Å; S712-V716 WeakPolarHBondContact O-CG2 3.12Å; S712-V716 PolarHBondContact OG-N 2.72Å; V716-G718 VanDerWaalsContact C-N 3.32Å; V716-G718 PolarHBondContact O-N 2.67Å; V716-F719 WeakPolarHBondContact O-CB 3.38Å; V716-F719 PolarHBondContact O-N 3.01Å; V716-F719 VanDerWaalsContact O-N 3.13Å; V716-E720 HydrophobicContact CG1-CG 4.39Å; V716-E720 WeakPolarHBondContact O-CG 3.48Å; V716-E720 PolarHBondContact O-N 2.97Å
717	L	98.9	Very high	97.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65.3	-38.6	178.2	-178.3	59.9	0	0	0	111.2	E713 F719 E720 L721 W734 A745 I748 I749 I753 I766 L768	E713-L717 WeakPolarHBondContact O-CB 3.16Å; E713-L717 PolarHBondContact O-N 2.91Å; L717-F719 VanDerWaalsContact C-N 3.3Å; L717-F719 PolarHBondContact O-N 2.83Å; L717-E720 PolarHBondContact O-N 2.93Å; L717-L721 WeakPolarHBondContact O-CB 3.48Å; L717-L721 PolarHBondContact O-N 3.46Å; L717-W734 HydrophobicContact CB-CD2 4.37Å; L717-W734 HydrophobicContact CD1-CB 3.94Å; L717-W734 HydrophobicContact CD1-CD2 3.76Å; L717-W734 HydrophobicContact CD1-CE3 3.9Å; L717-W734 HydrophobicContact CD1-CG 3.79Å; L717-A745 HydrophobicContact CB-CB 4.03Å; L717-A745 HydrophobicContact CD2-CB 3.61Å; L717-A745 HydrophobicContact CG-CB 4.43Å; L717-I748 HydrophobicContact CD2-CB 4.33Å; L717-I748 HydrophobicContact CD2-CG2 4.19Å; L717-I748 HydrophobicContact CG-CB 4.44Å; L717-I748 HydrophobicContact CG-CG2 3.93Å; L717-I749 HydrophobicContact CD2-CD1 4.36Å; L717-I749 HydrophobicContact CD2-CG1 3.88Å; L717-I753 HydrophobicContact CD1-CD1 4.12Å; L717-I753 HydrophobicContact CD2-CD1 3.95Å; L717-I753 HydrophobicContact CG-CD1 4.14Å; L717-I766 HydrophobicContact CD1-CD1 3.72Å; L717-L768 HydrophobicContact CD1-CD1 4.19Å; L717-L768 HydrophobicContact CD1-CD2 4.45Å; L717-L768 HydrophobicContact CD1-CG 4.25Å; L717-L768 HydrophobicContact CD2-CD2 4.36Å
718	G	98.7	Very high	97	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59.3	-41.7	171.6	0	0	0	0	0	112	V374 Y714 V716 L721 G722	V374-G718 VanDerWaalsContact CA-O 3.28Å; V374-G718 WeakPolarHBondContact CA-O 3.22Å; Y714-G718 PolarHBondContact O-N 2.8Å; Y714-G718 VanDerWaalsContact O-N 3.15Å; V716-G718 VanDerWaalsContact C-N 3.32Å; V716-G718 PolarHBondContact O-N 2.67Å; G718-L721 WeakPolarHBondContact O-CB 3.45Å; G718-L721 PolarHBondContact O-N 2.81Å; G718-G722 PolarHBondContact O-N 2.78Å
719	F	98.9	Very high	96.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.9	-49.5	175.9	-170.9	-78.3	0	0	0	112.2	P373 Q376 G377 K380 L417 Y423 G715 V716 L717 L721 G722 F723	P373-F719 VanDerWaalsContact O-CA 3.29Å; P373-F719 WeakPolarHBondContact O-CA 3.04Å; Q376-F719 HydrophobicContact CB-CD2 3.77Å; Q376-F719 HydrophobicContact CB-CE2 3.87Å; G377-F719 WeakPolarHBondContact CA-O 3.22Å; K380-F719 HydrophobicContact CB-CE1 4.1Å; K380-F719 HydrophobicContact CB-CE2 4.24Å; K380-F719 HydrophobicContact CB-CZ 3.43Å; K380-F719 VanDerWaalsContact CB-CZ 3.43Å; K380-F719 HydrophobicContact CG-CE1 4.21Å; K380-F719 HydrophobicContact CG-CZ 3.72Å; L417-F719 HydrophobicContact CD1-CB 4.32Å; L417-F719 HydrophobicContact CD1-CD2 4.1Å; Y423-F719 AromaticContact CD1-CD1 3.78Å; Y423-F719 HydrophobicContact CD1-CD1 3.78Å; Y423-F719 HydrophobicContact CD1-CD2 4.25Å; Y423-F719 AromaticContact CD1-CE1 3.81Å; Y423-F719 HydrophobicContact CD1-CE1 3.81Å; Y423-F719 HydrophobicContact CD1-CE2 4.27Å; Y423-F719 HydrophobicContact CD1-CG 4.01Å; Y423-F719 HydrophobicContact CD1-CZ 4.04Å; Y423-F719 HydrophobicContact CE1-CD1 4.23Å; Y423-F719 HydrophobicContact CE1-CE1 4.47Å; Y423-F719 WeakPolarHBondContact O-CE2 3.36Å; Y423-F719 WeakPolarHBondContact O-CZ 3.5Å; G715-F719 WeakPolarHBondContact O-CB 3.38Å; G715-F719 PolarHBondContact O-N 3.27Å; V716-F719 WeakPolarHBondContact O-CB 3.38Å; V716-F719 PolarHBondContact O-N 3.01Å; V716-F719 VanDerWaalsContact O-N 3.13Å; L717-F719 VanDerWaalsContact C-N 3.3Å; L717-F719 PolarHBondContact O-N 2.83Å; F719-L721 VanDerWaalsContact C-N 3.3Å; F719-L721 PolarHBondContact O-N 2.97Å; F719-G722 PolarHBondContact O-N 3.17Å; F719-G722 VanDerWaalsContact O-N 3.16Å; F719-F723 HydrophobicContact CE1-CD2 4.31Å; F719-F723 PolarHBondContact O-N 2.65Å
720	E	98.8	Very high	96.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-66.1	-34	-179.7	-61.6	-50.2	146.5	0	0	112.2	R663 S665 V716 L717 F723 A724 V732 W734 I766	R663-E720 WeakPolarHBondContact CD-OE2 3.15Å; R663-E720 IonicContact CZ-OE1 2.6Å; R663-E720 IonicContact CZ-OE2 3.88Å; R663-E720 IonicContact NE-OE1 3.71Å; R663-E720 PolarHBondContact NE-OE1 3.16Å; R663-E720 IonicContact NE-OE2 3.9Å; R663-E720 PolarHBondContact NE-OE2 2.8Å; R663-E720 IonicContact NH2-OE1 2.91Å; R663-E720 PolarHBondContact NH2-OE1 3.21Å; R663-E720 IonicContact NH2-OE2 2.61Å; S665-E720 WeakPolarHBondContact CB-OE1 3.34Å; S665-E720 VanDerWaalsContact OG-CD 3.31Å; S665-E720 PolarHBondContact OG-OE1 2.81Å; V716-E720 HydrophobicContact CG1-CG 4.39Å; V716-E720 WeakPolarHBondContact O-CG 3.48Å; V716-E720 PolarHBondContact O-N 2.97Å; L717-E720 PolarHBondContact O-N 2.93Å; E720-F723 PolarHBondContact O-N 3.29Å; E720-A724 WeakPolarHBondContact O-CB 3.19Å; E720-A724 PolarHBondContact O-N 2.77Å; E720-V732 HydrophobicContact CB-CG1 4.23Å; E720-W734 HydrophobicContact CB-CB 4.31Å; E720-W734 HydrophobicContact CG-CB 4.3Å; E720-I766 HydrophobicContact CB-CD1 4.12Å
721	L	98.4	Very high	96.8	Very high	6 Å²	6	18.9 Å²	18.9	3%	0.031	10%	0.104	C	C	.	.	H	α-helix	trans	-57.6	-51	170.6	171.7	74.5	0	0	0	110.8	V374 L717 G718 F719 F723 A724 M725 I748 F752 I753 N764 I766	V374-L721 HydrophobicContact CG1-CD2 4.25Å; V374-L721 HydrophobicContact CG2-CD2 3.96Å; L717-L721 WeakPolarHBondContact O-CB 3.48Å; L717-L721 PolarHBondContact O-N 3.46Å; G718-L721 WeakPolarHBondContact O-CB 3.45Å; G718-L721 PolarHBondContact O-N 2.81Å; F719-L721 VanDerWaalsContact C-N 3.3Å; F719-L721 PolarHBondContact O-N 2.97Å; L721-F723 VanDerWaalsContact C-N 3.31Å; L721-F723 PolarHBondContact O-N 3.42Å; L721-A724 PolarHBondContact O-N 2.8Å; L721-M725 WeakPolarHBondContact O-CG 3.39Å; L721-M725 PolarHBondContact O-N 3.41Å; L721-I748 HydrophobicContact CD2-CG2 3.99Å; L721-F752 HydrophobicContact CD2-CB 3.3Å; L721-F752 HydrophobicContact CD2-CD1 3.93Å; L721-F752 HydrophobicContact CD2-CG 3.72Å; L721-I753 HydrophobicContact CD1-CG1 4.08Å; L721-N764 HydrophobicContact CD1-CB 4.41Å; L721-N764 WeakPolarHBondContact CD1-ND2 3.32Å; L721-N764 PolarHBondContact O-ND2 3.21Å; L721-I766 HydrophobicContact CB-CD1 4.28Å; L721-I766 HydrophobicContact CD1-CG2 4.46Å
722	G	97.9	Very high	96.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-59.8	-40.8	177.4	0	0	0	0	0	112.7	V374 K378 G718 F719 A724 M725	V374-G722 VanDerWaalsContact O-CA 3.32Å; V374-G722 WeakPolarHBondContact O-CA 3.49Å; K378-G722 VanDerWaalsContact CA-O 3.31Å; K378-G722 WeakPolarHBondContact CA-O 3.39Å; K378-G722 VanDerWaalsContact N-C 3.32Å; K378-G722 PolarHBondContact N-O 3.06Å; G718-G722 PolarHBondContact O-N 2.78Å; F719-G722 PolarHBondContact O-N 3.17Å; F719-G722 VanDerWaalsContact O-N 3.16Å; G722-A724 VanDerWaalsContact C-N 3.35Å; G722-A724 PolarHBondContact O-N 3.14Å; G722-M725 WeakPolarHBondContact O-CB 3.35Å; G722-M725 PolarHBondContact O-N 3.06Å; G722-M725 VanDerWaalsContact O-N 3.15Å
723	F	98.1	Very high	96.9	Very high	4 Å²	4	11.1 Å²	11.1	2%	0.018	6%	0.063	C	C	.	.	H	α-helix	trans	-61.9	-44.2	177.4	-162.9	-73	0	0	0	111.2	G377 K380 A381 F384 Y385 H661 F719 E720 L721 M725 A726 V732	G377-F723 WeakPolarHBondContact O-CA 3.49Å; K380-F723 HydrophobicContact CB-CD2 4.25Å; K380-F723 HydrophobicContact CB-CE2 4.42Å; K380-F723 HydrophobicContact CG-CD2 4.15Å; K380-F723 HydrophobicContact CG-CE2 3.94Å; A381-F723 HydrophobicContact CB-CB 4.35Å; A381-F723 HydrophobicContact CB-CD1 3.94Å; A381-F723 HydrophobicContact CB-CD2 3.68Å; A381-F723 HydrophobicContact CB-CE1 4.06Å; A381-F723 HydrophobicContact CB-CE2 3.81Å; A381-F723 HydrophobicContact CB-CG 3.74Å; A381-F723 HydrophobicContact CB-CZ 3.99Å; F384-F723 HydrophobicContact CB-CZ 4.44Å; F384-F723 HydrophobicContact CD1-CZ 4.43Å; F384-F723 HydrophobicContact CG-CZ 4.44Å; Y385-F723 HydrophobicContact CE2-CE1 4.39Å; H661-F723 AromaticContact CE1-CE1 3.75Å; H661-F723 AromaticContact CE1-CZ 3.74Å; H661-F723 AromaticContact ND1-CE1 3.98Å; F719-F723 HydrophobicContact CE1-CD2 4.31Å; F719-F723 PolarHBondContact O-N 2.65Å; E720-F723 PolarHBondContact O-N 3.29Å; L721-F723 VanDerWaalsContact C-N 3.31Å; L721-F723 PolarHBondContact O-N 3.42Å; F723-M725 PolarHBondContact O-N 2.94Å; F723-A726 PolarHBondContact O-N 3.37Å; F723-V732 HydrophobicContact CD1-CG1 4.49Å; F723-V732 HydrophobicContact CD1-CG2 3.86Å; F723-V732 HydrophobicContact CE1-CG2 4.45Å
724	A	97.3	Very high	96.9	Very high	5 Å²	5	10.2 Å²	10.2	4%	0.041	6%	0.058	C	C	.	.	H	α-helix	trans	-64.4	-18.3	177.2	0	0	0	0	0	113.8	E720 L721 G722 V732 N764 I766	E720-A724 WeakPolarHBondContact O-CB 3.19Å; E720-A724 PolarHBondContact O-N 2.77Å; L721-A724 PolarHBondContact O-N 2.8Å; G722-A724 VanDerWaalsContact C-N 3.35Å; G722-A724 PolarHBondContact O-N 3.14Å; A724-V732 HydrophobicContact CB-CB 3.89Å; A724-V732 HydrophobicContact CB-CG1 4.19Å; A724-V732 HydrophobicContact CB-CG2 4.01Å; A724-N764 WeakPolarHBondContact CB-OD1 3.45Å; A724-I766 HydrophobicContact CB-CB 4.17Å
725	M	92.7	Very high	96.9	Very high	16 Å²	16	9 Å²	9	8%	0.079	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-17.8	177.3	-65.2	173.3	71.6	0	0	113.8	M362 V374 D577 S578 W580 L721 G722 F723 N764	M362-M725 HydrophobicContact CE-CE 3.76Å; M362-M725 HydrophobicContact SD-CE 4.32Å; V374-M725 HydrophobicContact CG1-SD 3.79Å; D577-M725 WeakPolarHBondContact OD1-CE 3.45Å; S578-M725 WeakPolarHBondContact CB-O 3.39Å; S578-M725 PolarHBondContact OG-O 3.43Å; W580-M725 PolarHBondContact NE1-O 3.4Å; L721-M725 WeakPolarHBondContact O-CG 3.39Å; L721-M725 PolarHBondContact O-N 3.41Å; G722-M725 WeakPolarHBondContact O-CB 3.35Å; G722-M725 PolarHBondContact O-N 3.06Å; G722-M725 VanDerWaalsContact O-N 3.15Å; F723-M725 PolarHBondContact O-N 2.94Å; M725-N764 VanDerWaalsContact CG-ND2 3.26Å; M725-N764 WeakPolarHBondContact CG-ND2 2.91Å
726	A	90.9	Very high	96.9	Very high	18 Å²	18	9.1 Å²	9.1	15%	0.149	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-33.9	-172.1	0	0	0	0	0	113.1	A381 Y385 F723	A381-A726 HydrophobicContact CB-CB 3.35Å; Y385-A726 HydrophobicContact CD2-CB 4.35Å; Y385-A726 HydrophobicContact CE2-CB 4.35Å; F723-A726 PolarHBondContact O-N 3.37Å
727	S	91.5	Very high	96.9	Very high	23 Å²	23	11.6 Å²	11.6	16%	0.161	7%	0.066	C	C	.	.			trans	-137.1	129.2	-177.1	-179	0	0	0	0	111.6	N729	S727-N729 PolarHBondContact O-N 3.01Å; S727-N729 PolarHBondContact OG-N 3.24Å; S727-N729 VanDerWaalsContact OG-N 3.14Å
728	P	91.9	Very high	96.9	Very high	14 Å²	14	12.5 Å²	12.5	9%	0.091	7%	0.07	C	C	.	.	S	Bend	trans	-71	-19.6	169.9	28.4	-29.9	0	0	0	111.7	W580 F583 A730 R841	W580-P728 HydrophobicContact CB-CG 4.21Å; W580-P728 HydrophobicContact CD2-CB 3.75Å; W580-P728 HydrophobicContact CD2-CG 3.89Å; W580-P728 HydrophobicContact CE3-CB 3.59Å; W580-P728 HydrophobicContact CE3-CG 4.13Å; W580-P728 HydrophobicContact CG-CB 4.35Å; W580-P728 HydrophobicContact CG-CG 3.95Å; W580-P728 HydrophobicContact CH2-CB 4.18Å; W580-P728 HydrophobicContact CZ2-CB 4.32Å; W580-P728 HydrophobicContact CZ3-CB 3.82Å; F583-P728 HydrophobicContact CB-CG 4.04Å; F583-P728 HydrophobicContact CD1-CB 4Å; F583-P728 HydrophobicContact CD1-CG 4.37Å; F583-P728 HydrophobicContact CD2-CB 3.71Å; F583-P728 HydrophobicContact CD2-CG 3.71Å; F583-P728 HydrophobicContact CE1-CB 4.04Å; F583-P728 HydrophobicContact CE2-CB 3.77Å; F583-P728 HydrophobicContact CE2-CG 4.26Å; F583-P728 HydrophobicContact CG-CB 3.84Å; F583-P728 HydrophobicContact CG-CG 3.78Å; F583-P728 HydrophobicContact CZ-CB 3.94Å; P728-A730 VanDerWaalsContact C-N 3.31Å; P728-A730 PolarHBondContact O-N 2.93Å; P728-R841 PolarHBondContact O-NE 2.98Å; P728-R841 PolarHBondContact O-NH2 3.02Å
729	N	92.8	Very high	96.9	Very high	87 Å²	87	12.5 Å²	12.5	47%	0.465	7%	0.07	S	C	.	.	S	Bend	trans	-98.9	43.4	-174	-62.3	-30.7	0	0	0	111.6	S727	S727-N729 PolarHBondContact O-N 3.01Å; S727-N729 PolarHBondContact OG-N 3.24Å; S727-N729 VanDerWaalsContact OG-N 3.14Å
730	A	96.4	Very high	96.8	Very high	5 Å²	5	12.7 Å²	12.7	4%	0.041	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	136.2	177.7	0	0	0	0	0	110.9	Y385 H661 P728 V732 I836	Y385-A730 WeakPolarHBondContact OH-CB 3.47Å; H661-A730 HydrophobicContact CB-CB 4.23Å; H661-A730 CarbonylContact O-C 3.59Å; H661-A730 VanDerWaalsContact O-CA 3.24Å; H661-A730 WeakPolarHBondContact O-CA 3.14Å; P728-A730 VanDerWaalsContact C-N 3.31Å; P728-A730 PolarHBondContact O-N 2.93Å; A730-V732 HydrophobicContact CB-CG2 4.3Å; A730-I836 WeakPolarHBondContact O-CD1 3.46Å
731	L	98.5	Very high	96.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	111.4	168.1	-172	78.1	0	0	0	108.1	F652 F655 H661 V662 R663 V767 Q835 I836	F652-L731 HydrophobicContact CD1-CD2 3.73Å; F652-L731 HydrophobicContact CE1-CD2 3.56Å; F655-L731 HydrophobicContact CD2-CB 4.5Å; F655-L731 HydrophobicContact CD2-CD2 4.06Å; F655-L731 HydrophobicContact CE2-CB 4.4Å; F655-L731 HydrophobicContact CE2-CD1 4.34Å; F655-L731 HydrophobicContact CE2-CD2 3.76Å; F655-L731 HydrophobicContact CE2-CG 4.4Å; H661-L731 PolarHBondContact O-N 3.49Å; V662-L731 CarbonylContact C-O 3.57Å; V662-L731 WeakPolarHBondContact CA-O 3.48Å; V662-L731 HydrophobicContact CG1-CB 4.43Å; V662-L731 HydrophobicContact CG1-CD2 4.07Å; V662-L731 HydrophobicContact CG2-CB 4.17Å; V662-L731 HydrophobicContact CG2-CD2 4.44Å; R663-L731 PolarHBondContact N-O 3.07Å; L731-V767 HydrophobicContact CD1-CG2 3.86Å; L731-Q835 HydrophobicContact CD1-CB 4.23Å; L731-Q835 HydrophobicContact CD1-CG 4Å; L731-I836 HydrophobicContact CB-CD1 3.99Å; L731-I836 HydrophobicContact CB-CG1 4.21Å; L731-I836 HydrophobicContact CD1-CD1 4.07Å; L731-I836 HydrophobicContact CD1-CG1 4.03Å
732	V	98.8	Very high	96.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	113.8	178.6	-176.9	0	0	0	0	108.4	E720 F723 A724 A730 V767	E720-V732 HydrophobicContact CB-CG1 4.23Å; F723-V732 HydrophobicContact CD1-CG1 4.49Å; F723-V732 HydrophobicContact CD1-CG2 3.86Å; F723-V732 HydrophobicContact CE1-CG2 4.45Å; A724-V732 HydrophobicContact CB-CB 3.89Å; A724-V732 HydrophobicContact CB-CG1 4.19Å; A724-V732 HydrophobicContact CB-CG2 4.01Å; A730-V732 HydrophobicContact CB-CG2 4.3Å; V732-V767 PolarHBondContact O-N 3.29Å
733	C	98.9	Very high	96.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129.1	-177.4	-59.8	0	0	0	0	110.2	R663 L664 S665 V767 L769	R663-C733 PolarHBondContact O-N 3.45Å; L664-C733 HydrophobicContact CD1-CB 3.72Å; S665-C733 PolarHBondContact N-O 3.17Å; C733-V767 WeakPolarHBondContact CA-O 3.47Å; C733-V767 HydrophobicContact CB-CB 4.47Å; C733-L769 HydrophobicContact CB-CD1 4.21Å
734	W	98.9	Very high	96.8	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.015	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.8	164.2	178.6	82.5	0	0	0	109.4	S665 E713 L717 E720 A736 H742 V767 L768 L769 L770	S665-W734 CarbonylContact O-C 3.5Å; S665-W734 VanDerWaalsContact O-CA 3.31Å; S665-W734 WeakPolarHBondContact O-CA 3.21Å; E713-W734 HydrophobicContact CB-CH2 4.38Å; E713-W734 HydrophobicContact CB-CZ2 3.83Å; E713-W734 HydrophobicContact CG-CH2 4.33Å; E713-W734 HydrophobicContact CG-CZ2 3.85Å; L717-W734 HydrophobicContact CB-CD2 4.37Å; L717-W734 HydrophobicContact CD1-CB 3.94Å; L717-W734 HydrophobicContact CD1-CD2 3.76Å; L717-W734 HydrophobicContact CD1-CE3 3.9Å; L717-W734 HydrophobicContact CD1-CG 3.79Å; E720-W734 HydrophobicContact CB-CB 4.31Å; E720-W734 HydrophobicContact CG-CB 4.3Å; W734-A736 HydrophobicContact CH2-CB 3.59Å; W734-A736 HydrophobicContact CZ2-CB 4.33Å; W734-A736 HydrophobicContact CZ3-CB 3.76Å; W734-H742 HydrophobicContact CH2-CB 4.35Å; W734-H742 HydrophobicContact CZ3-CB 4.37Å; W734-V767 PolarHBondContact N-O 3.12Å; W734-L768 HydrophobicContact CE3-CG 4.1Å; W734-L768 WeakPolarHBondContact O-CA 3.25Å; W734-L769 PolarHBondContact O-N 3.25Å; W734-L770 HydrophobicContact CZ3-CD2 3.8Å
735	E	98.9	Very high	96.9	Very high	8 Å²	8	20.4 Å²	20.4	4%	0.037	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	124.2	176.8	-175.6	172.5	-108.7	0	0	111	L664 S665 G666 V669 R677 L769	L664-E735 HydrophobicContact CD1-CB 4.41Å; S665-E735 PolarHBondContact O-N 3.44Å; G666-E735 WeakPolarHBondContact CA-O 3.46Å; V669-E735 HydrophobicContact CG1-CB 3.77Å; V669-E735 HydrophobicContact CG1-CG 4.38Å; R677-E735 IonicContact CZ-OE1 3.87Å; R677-E735 IonicContact CZ-OE2 2.99Å; R677-E735 IonicContact NH1-OE1 2.64Å; R677-E735 IonicContact NH1-OE2 2.83Å; R677-E735 PolarHBondContact NH1-OE2 2.66Å; R677-E735 IonicContact NH2-OE1 3.23Å; R677-E735 PolarHBondContact NH2-OE1 2.74Å; R677-E735 IonicContact NH2-OE2 2.81Å; R677-E735 PolarHBondContact NH2-OE2 3.5Å; E735-L769 WeakPolarHBondContact CA-O 3.49Å; E735-L769 HydrophobicContact CB-CB 3.9Å; E735-L769 HydrophobicContact CB-CD1 4.24Å; E735-L769 HydrophobicContact CG-CB 3.88Å
736	A	98.8	Very high	97.2	Very high	2 Å²	2	21.1 Å²	21.1	2%	0.017	12%	0.115	C	C	.	.			trans	-75.3	144.5	168.6	0	0	0	0	0	109.8	W734 F738 L769 L770 P771	W734-A736 HydrophobicContact CH2-CB 3.59Å; W734-A736 HydrophobicContact CZ2-CB 4.33Å; W734-A736 HydrophobicContact CZ3-CB 3.76Å; A736-F738 VanDerWaalsContact C-N 3.29Å; A736-F738 VanDerWaalsContact CB-O 3.25Å; A736-F738 WeakPolarHBondContact CB-O 3.2Å; A736-F738 PolarHBondContact O-N 3.24Å; A736-L769 PolarHBondContact N-O 3.45Å; A736-L770 HydrophobicContact CB-CD2 3.9Å; A736-P771 VanDerWaalsContact O-CD 3.24Å; A736-P771 WeakPolarHBondContact O-CD 3.44Å; A736-P771 WeakPolarHBondContact O-CG 3.37Å
737	Q	98.4	Very high	97.5	Very high	52 Å²	52	21.3 Å²	21.3	24%	0.243	12%	0.115	C	C	.	.	S	Bend	trans	-59.6	-44.9	177.6	-168.6	-178.8	76.8	0	0	111.2	Q667 D668 T673 F741	Q667-Q737 HydrophobicContact CB-CB 4.36Å; D668-Q737 PolarHBondContact OD2-NE2 3.07Å; D668-Q737 VanDerWaalsContact OD2-NE2 3.15Å; T673-Q737 HydrophobicContact CG2-CG 3.58Å; T673-Q737 WeakPolarHBondContact OG1-CG 3.4Å; T673-Q737 PolarHBondContact OG1-O 3.23Å; Q737-F741 HydrophobicContact CB-CD2 4.24Å; Q737-F741 HydrophobicContact CB-CE2 4.42Å
738	F	98.7	Very high	97.9	Very high	19 Å²	19	20.2 Å²	20.2	8%	0.083	11%	0.107	C	C	.	.	S	Bend	trans	-130.3	147.1	160.9	-78.7	-102.3	0	0	0	107.8	T673 F674 A736 D740 F741 M777 H781 K850	T673-F738 HydrophobicContact CG2-CD2 4.47Å; T673-F738 HydrophobicContact CG2-CE2 3.95Å; F674-F738 AromaticContact CE1-CE1 3.91Å; F674-F738 HydrophobicContact CE1-CE1 3.91Å; F674-F738 HydrophobicContact CE1-CE2 4.3Å; F674-F738 AromaticContact CE1-CZ 3.63Å; F674-F738 HydrophobicContact CE1-CZ 3.63Å; F674-F738 HydrophobicContact CZ-CD1 4.39Å; F674-F738 AromaticContact CZ-CE1 3.95Å; F674-F738 HydrophobicContact CZ-CE1 3.95Å; F674-F738 HydrophobicContact CZ-CE2 4.33Å; F674-F738 AromaticContact CZ-CZ 3.91Å; F674-F738 HydrophobicContact CZ-CZ 3.91Å; A736-F738 VanDerWaalsContact C-N 3.29Å; A736-F738 VanDerWaalsContact CB-O 3.25Å; A736-F738 WeakPolarHBondContact CB-O 3.2Å; A736-F738 PolarHBondContact O-N 3.24Å; F738-D740 PolarHBondContact O-N 3.26Å; F738-D740 VanDerWaalsContact O-N 3.08Å; F738-F741 HydrophobicContact CB-CD2 4.13Å; F738-F741 HydrophobicContact CB-CE2 3.96Å; F738-F741 HydrophobicContact CD2-CE2 4.2Å; F738-F741 PolarHBondContact O-N 3.2Å; F738-F741 VanDerWaalsContact O-N 3.14Å; F738-M777 HydrophobicContact CE1-CE 3.78Å; F738-M777 HydrophobicContact CZ-CE 4.45Å; F738-H781 HydrophobicContact CD1-CB 3.83Å; F738-H781 AromaticContact CD1-CD2 3.83Å; F738-H781 AromaticContact CD2-CD2 3.65Å; F738-H781 HydrophobicContact CE1-CB 3.78Å; F738-H781 AromaticContact CE1-CD2 3.75Å; F738-H781 AromaticContact CE2-CD2 3.61Å; F738-H781 AromaticContact CG-CD2 3.77Å; F738-H781 HydrophobicContact CZ-CB 4.45Å; F738-H781 AromaticContact CZ-CD2 3.65Å; F738-K850 HydrophobicContact CD1-CD 3.9Å; F738-K850 HydrophobicContact CE1-CD 3.68Å
739	G	98.6	Very high	98.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-57.9	-27.1	-179.4	0	0	0	0	0	112.7	F741 H742 P771	G739-F741 PolarHBondContact O-N 2.74Å; G739-H742 VanDerWaalsContact O-CG 3.3Å; G739-H742 PolarHBondContact O-N 2.81Å; G739-H742 PolarHBondContact O-ND1 3.06Å; G739-P771 WeakPolarHBondContact CA-O 3.37Å; G739-P771 PolarHBondContact N-O 3.01Å
740	D	98.7	Very high	98.5	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.021	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-53.2	-36.3	177.6	-52.4	-113.8	0	0	0	112.6	F738 H742 N743 E780 H781 S782 S783	F738-D740 PolarHBondContact O-N 3.26Å; F738-D740 VanDerWaalsContact O-N 3.08Å; D740-H742 PolarHBondContact O-N 3.33Å; D740-H742 PolarHBondContact O-ND1 3.33Å; D740-N743 VanDerWaalsContact O-CG 3.31Å; D740-N743 PolarHBondContact O-OD1 2.79Å; D740-E780 WeakPolarHBondContact CB-O 3.32Å; D740-E780 VanDerWaalsContact OD1-C 3.27Å; D740-H781 PolarHBondContact OD1-N 2.93Å; D740-S782 PolarHBondContact OD1-N 2.89Å; D740-S782 PolarHBondContact OD2-N 2.77Å; D740-S783 VanDerWaalsContact CA-O 3.28Å; D740-S783 WeakPolarHBondContact CA-O 3.26Å; D740-S783 PolarHBondContact N-O 3.31Å; D740-S783 PolarHBondContact OD1-N 3.12Å; D740-S783 PolarHBondContact OD2-N 3.25Å
741	F	98.6	Very high	98.5	Very high	51 Å²	51	19.7 Å²	19.7	22%	0.224	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-79.8	-8.3	-173.4	-54.4	-40	0	0	0	115.4	Q737 F738 G739 N743 T744	Q737-F741 HydrophobicContact CB-CD2 4.24Å; Q737-F741 HydrophobicContact CB-CE2 4.42Å; F738-F741 HydrophobicContact CB-CD2 4.13Å; F738-F741 HydrophobicContact CB-CE2 3.96Å; F738-F741 HydrophobicContact CD2-CE2 4.2Å; F738-F741 PolarHBondContact O-N 3.2Å; F738-F741 VanDerWaalsContact O-N 3.14Å; G739-F741 PolarHBondContact O-N 2.74Å; F741-N743 PolarHBondContact O-N 2.86Å; F741-N743 PolarHBondContact O-OD1 3Å; F741-T744 PolarHBondContact O-N 3.44Å; F741-T744 PolarHBondContact O-OG1 3.35Å
742	H	98.3	Very high	98.5	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-56.2	-22	175.4	75.6	-47.2	0	0	0	114	W734 G739 D740 T744 A745 I749 L770 A784 F789	W734-H742 HydrophobicContact CH2-CB 4.35Å; W734-H742 HydrophobicContact CZ3-CB 4.37Å; G739-H742 VanDerWaalsContact O-CG 3.3Å; G739-H742 PolarHBondContact O-N 2.81Å; G739-H742 PolarHBondContact O-ND1 3.06Å; D740-H742 PolarHBondContact O-N 3.33Å; D740-H742 PolarHBondContact O-ND1 3.33Å; H742-T744 PolarHBondContact O-N 2.9Å; H742-A745 PolarHBondContact O-N 3.15Å; H742-I749 HydrophobicContact CB-CD1 4.33Å; H742-L770 HydrophobicContact CB-CD2 3.96Å; H742-A784 PolarHBondContact CE1-O 2.86Å; H742-A784 PolarHBondContact NE2-O 2.84Å; H742-F789 AromaticContact CD2-CE2 3.41Å; H742-F789 VanDerWaalsContact CD2-CE2 3.41Å; H742-F789 WeakPolarHBondContact CD2-CE2 3.23Å; H742-F789 AromaticContact CD2-CZ 3.37Å; H742-F789 WeakPolarHBondContact CD2-CZ 3.38Å; H742-F789 AromaticContact NE2-CE2 3.51Å; H742-F789 AromaticContact NE2-CZ 3.94Å
743	N	97.8	Very high	98.5	Very high	57 Å²	57	20.6 Å²	20.6	31%	0.305	11%	0.106	S	C	.	.	G	3₁₀ helix	trans	-66.6	-20.3	-176.7	61.9	-3.9	0	0	0	113.4	D740 F741 A745 Q746	D740-N743 VanDerWaalsContact O-CG 3.31Å; D740-N743 PolarHBondContact O-OD1 2.79Å; F741-N743 PolarHBondContact O-N 2.86Å; F741-N743 PolarHBondContact O-OD1 3Å; N743-A745 PolarHBondContact O-N 2.88Å; N743-Q746 WeakPolarHBondContact O-CB 3.44Å; N743-Q746 PolarHBondContact O-N 3.29Å
744	T	98.1	Very high	98.4	Very high	68 Å²	68	21.3 Å²	21.3	42%	0.417	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	-71.2	-21.9	172.8	58.4	0	0	0	0	111.5	E713 F741 H742	E713-T744 WeakPolarHBondContact CB-OG1 3.15Å; E713-T744 WeakPolarHBondContact CG-OG1 3.36Å; E713-T744 PolarHBondContact OE2-OG1 3.29Å; F741-T744 PolarHBondContact O-N 3.44Å; F741-T744 PolarHBondContact O-OG1 3.35Å; H742-T744 PolarHBondContact O-N 2.9Å
745	A	98.5	Very high	98.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-100.3	18.8	174.8	0	0	0	0	0	113.7	E713 L717 H742 N743 C747 I748 I749	E713-A745 HydrophobicContact CB-CB 4.05Å; E713-A745 WeakPolarHBondContact O-CB 3.42Å; L717-A745 HydrophobicContact CB-CB 4.03Å; L717-A745 HydrophobicContact CD2-CB 3.61Å; L717-A745 HydrophobicContact CG-CB 4.43Å; H742-A745 PolarHBondContact O-N 3.15Å; N743-A745 PolarHBondContact O-N 2.88Å; A745-C747 PolarHBondContact O-N 2.82Å; A745-C747 VanDerWaalsContact O-N 3.13Å; A745-I748 WeakPolarHBondContact O-CB 3.27Å; A745-I748 PolarHBondContact O-N 3.23Å; A745-I749 PolarHBondContact O-N 2.96Å
746	Q	98.7	Very high	97.9	Very high	31 Å²	31	22.1 Å²	22.1	15%	0.145	12%	0.119	C	C	.	.	H	α-helix	trans	-55.1	-36.2	-174.2	-166.6	70	60.4	0	0	113	N743 I748 I749 D750	N743-Q746 WeakPolarHBondContact O-CB 3.44Å; N743-Q746 PolarHBondContact O-N 3.29Å; Q746-I748 VanDerWaalsContact C-N 3.3Å; Q746-I748 PolarHBondContact O-N 3.11Å; Q746-I749 PolarHBondContact O-N 3.25Å; Q746-I749 VanDerWaalsContact O-N 3.15Å; Q746-D750 PolarHBondContact NE2-OD1 3.17Å; Q746-D750 WeakPolarHBondContact O-CB 3.49Å; Q746-D750 VanDerWaalsContact O-CG 3.3Å; Q746-D750 PolarHBondContact O-N 3.1Å
747	C	98.4	Very high	97.5	Very high	21 Å²	21	23.8 Å²	23.8	14%	0.142	13%	0.126	C	C	.	.	H	α-helix	trans	-62.3	-36.5	177.6	-173.4	0	0	0	0	112.5	H367 Y714 A745 Q751	H367-C747 VanDerWaalsContact CB-SG 3.53Å; Y714-C747 HydrophobicContact CE1-CB 4.33Å; Y714-C747 HydrophobicContact CE2-CB 3.98Å; Y714-C747 WeakPolarHBondContact OH-CB 3.46Å; Y714-C747 PolarHBondContact OH-SG 3.34Å; A745-C747 PolarHBondContact O-N 2.82Å; A745-C747 VanDerWaalsContact O-N 3.13Å; C747-Q751 WeakPolarHBondContact O-CB 3.41Å; C747-Q751 VanDerWaalsContact O-CG 3.31Å; C747-Q751 WeakPolarHBondContact O-CG 3.19Å; C747-Q751 PolarHBondContact O-N 3.1Å
748	I	98.8	Very high	97.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-68.2	-42.8	174.7	-60.5	-62.1	0	0	0	110	A370 V374 Y714 L717 L721 A745 Q746 F752 I753	A370-I748 WeakPolarHBondContact O-CD1 3.45Å; V374-I748 HydrophobicContact CG2-CD1 4.39Å; Y714-I748 HydrophobicContact CD2-CD1 4Å; Y714-I748 HydrophobicContact CD2-CG1 3.54Å; Y714-I748 HydrophobicContact CE2-CD1 3.69Å; Y714-I748 HydrophobicContact CE2-CG1 3.63Å; L717-I748 HydrophobicContact CD2-CB 4.33Å; L717-I748 HydrophobicContact CD2-CG2 4.19Å; L717-I748 HydrophobicContact CG-CB 4.44Å; L717-I748 HydrophobicContact CG-CG2 3.93Å; L721-I748 HydrophobicContact CD2-CG2 3.99Å; A745-I748 WeakPolarHBondContact O-CB 3.27Å; A745-I748 PolarHBondContact O-N 3.23Å; Q746-I748 VanDerWaalsContact C-N 3.3Å; Q746-I748 PolarHBondContact O-N 3.11Å; I748-F752 HydrophobicContact CD1-CD2 4.15Å; I748-F752 HydrophobicContact CD1-CE2 4.15Å; I748-F752 WeakPolarHBondContact O-CB 3.34Å; I748-F752 PolarHBondContact O-N 3.42Å; I748-I753 HydrophobicContact CG2-CD1 4.02Å; I748-I753 HydrophobicContact CG2-CG1 4.19Å; I748-I753 PolarHBondContact O-N 3.48Å
749	I	98.8	Very high	96.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.134	C	C	.	.	I	π-helix	trans	-60.7	-52.8	179.2	-62.2	170.9	0	0	0	110.5	L717 H742 A745 Q746 I753 S754 F789 M792 W817	L717-I749 HydrophobicContact CD2-CD1 4.36Å; L717-I749 HydrophobicContact CD2-CG1 3.88Å; H742-I749 HydrophobicContact CB-CD1 4.33Å; A745-I749 PolarHBondContact O-N 2.96Å; Q746-I749 PolarHBondContact O-N 3.25Å; Q746-I749 VanDerWaalsContact O-N 3.15Å; I749-I753 HydrophobicContact CG1-CD1 4.23Å; I749-I753 PolarHBondContact O-N 3.38Å; I749-S754 VanDerWaalsContact O-CB 3.28Å; I749-S754 WeakPolarHBondContact O-CB 3.35Å; I749-S754 PolarHBondContact O-N 3.03Å; I749-F789 HydrophobicContact CD1-CE1 4.38Å; I749-F789 HydrophobicContact CD1-CZ 4.24Å; I749-F789 HydrophobicContact CG2-CD1 4.43Å; I749-F789 HydrophobicContact CG2-CE1 3.89Å; I749-M792 HydrophobicContact CG2-CE 4.43Å; I749-W817 HydrophobicContact CG2-CH2 4.14Å; I749-W817 HydrophobicContact CG2-CZ3 4Å
750	D	98.4	Very high	96.2	Very high	50 Å²	50	24.1 Å²	24.1	27%	0.267	14%	0.135	S	C	.	.	I	π-helix	trans	-68.1	-47.7	-175.4	-66.2	0.6	0	0	0	112	Q746 S755 M792	Q746-D750 PolarHBondContact NE2-OD1 3.17Å; Q746-D750 WeakPolarHBondContact O-CB 3.49Å; Q746-D750 VanDerWaalsContact O-CG 3.3Å; Q746-D750 PolarHBondContact O-N 3.1Å; D750-S755 PolarHBondContact O-OG 2.9Å; D750-M792 HydrophobicContact CB-CE 4.14Å; D750-M792 WeakPolarHBondContact OD1-CE 3.48Å
751	Q	97.4	Very high	95.6	Very high	45 Å²	45	25.4 Å²	25.4	21%	0.21	14%	0.143	C	C	.	.	I	π-helix	trans	-94.4	-15.8	-163.9	-54.6	-57.1	-37.5	0	0	113.5	P365 H367 C747 S755 K759 W760	P365-Q751 HydrophobicContact CB-CB 3.82Å; P365-Q751 HydrophobicContact CB-CG 4.27Å; P365-Q751 HydrophobicContact CG-CB 3.76Å; P365-Q751 HydrophobicContact CG-CG 4.4Å; H367-Q751 PolarHBondContact CE1-NE2 2.95Å; C747-Q751 WeakPolarHBondContact O-CB 3.41Å; C747-Q751 VanDerWaalsContact O-CG 3.31Å; C747-Q751 WeakPolarHBondContact O-CG 3.19Å; C747-Q751 PolarHBondContact O-N 3.1Å; Q751-S755 PolarHBondContact O-OG 2.77Å; Q751-K759 WeakPolarHBondContact O-CE 3.49Å; Q751-K759 PolarHBondContact O-NZ 2.82Å; Q751-W760 VanDerWaalsContact O-CH2 3.3Å; Q751-W760 WeakPolarHBondContact O-CH2 3.48Å
752	F	97.9	Very high	95	Very high	13 Å²	13	24 Å²	24	6%	0.057	14%	0.136	C	C	.	.	I	π-helix	trans	-125.4	-55.2	178.7	-63.8	-98.8	0	0	0	112.3	P365 A370 V371 V374 L721 I748 G756 W760	P365-F752 HydrophobicContact CG-CD2 4.46Å; P365-F752 HydrophobicContact CG-CE2 3.68Å; P365-F752 HydrophobicContact CG-CZ 3.87Å; A370-F752 HydrophobicContact CB-CE2 4.08Å; V371-F752 HydrophobicContact CB-CZ 4.24Å; V374-F752 HydrophobicContact CG2-CD1 4.41Å; V374-F752 HydrophobicContact CG2-CE1 4.1Å; V374-F752 HydrophobicContact CG2-CZ 4.17Å; L721-F752 HydrophobicContact CD2-CB 3.3Å; L721-F752 HydrophobicContact CD2-CD1 3.93Å; L721-F752 HydrophobicContact CD2-CG 3.72Å; I748-F752 HydrophobicContact CD1-CD2 4.15Å; I748-F752 HydrophobicContact CD1-CE2 4.15Å; I748-F752 WeakPolarHBondContact O-CB 3.34Å; I748-F752 PolarHBondContact O-N 3.42Å; F752-G756 WeakPolarHBondContact O-CA 3.49Å; F752-G756 PolarHBondContact O-N 3.49Å; F752-W760 AromaticContact CD1-CH2 3.93Å; F752-W760 HydrophobicContact CD1-CH2 3.93Å; F752-W760 AromaticContact CD1-CZ3 3.58Å; F752-W760 HydrophobicContact CD1-CZ3 3.58Å; F752-W760 HydrophobicContact CE1-CH2 4.03Å; F752-W760 HydrophobicContact CE1-CZ3 4.01Å; F752-W760 HydrophobicContact CG-CH2 4.46Å; F752-W760 HydrophobicContact CG-CZ3 4.25Å
753	I	98.2	Very high	94.6	Very high	6 Å²	6	24.7 Å²	24.7	3%	0.031	14%	0.14	C	C	.	.	I	π-helix	trans	-68	-49.8	-172.8	-59.6	174.8	0	0	0	110.6	L717 L721 I748 I749 I766 L768 W817 P843	L717-I753 HydrophobicContact CD1-CD1 4.12Å; L717-I753 HydrophobicContact CD2-CD1 3.95Å; L717-I753 HydrophobicContact CG-CD1 4.14Å; L721-I753 HydrophobicContact CD1-CG1 4.08Å; I748-I753 HydrophobicContact CG2-CD1 4.02Å; I748-I753 HydrophobicContact CG2-CG1 4.19Å; I748-I753 PolarHBondContact O-N 3.48Å; I749-I753 HydrophobicContact CG1-CD1 4.23Å; I749-I753 PolarHBondContact O-N 3.38Å; I753-I766 HydrophobicContact CG2-CG2 4.49Å; I753-L768 HydrophobicContact CD1-CD1 4.1Å; I753-L768 HydrophobicContact CD1-CD2 4.2Å; I753-W817 HydrophobicContact CG2-CE3 4Å; I753-W817 HydrophobicContact CG2-CZ3 4.24Å; I753-P843 HydrophobicContact CG2-CB 3.49Å; I753-P843 VanDerWaalsContact CG2-CB 3.49Å; I753-P843 HydrophobicContact CG2-CG 3.67Å
754	S	97.3	Very high	94.5	Very high	16 Å²	16	22.5 Å²	22.5	11%	0.112	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-35.1	-177.3	-171.1	0	0	0	0	113.8	I749 M792 N816 W817	I749-S754 VanDerWaalsContact O-CB 3.28Å; I749-S754 WeakPolarHBondContact O-CB 3.35Å; I749-S754 PolarHBondContact O-N 3.03Å; S754-M792 WeakPolarHBondContact OG-CE 3.33Å; S754-N816 WeakPolarHBondContact O-CB 3.4Å; S754-N816 PolarHBondContact O-ND2 3.2Å; S754-N816 PolarHBondContact OG-ND2 2.97Å; S754-W817 VanDerWaalsContact CB-CH2 3.47Å; S754-W817 WeakPolarHBondContact OG-CH2 3.43Å
755	S	94.8	Very high	94.4	Very high	25 Å²	25	19.5 Å²	19.5	18%	0.175	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.3	-4.8	-162.4	59.6	0	0	0	0	114.1	D750 Q751 Q757 A758 K759	D750-S755 PolarHBondContact O-OG 2.9Å; Q751-S755 PolarHBondContact O-OG 2.77Å; S755-Q757 VanDerWaalsContact C-N 3.33Å; S755-Q757 PolarHBondContact O-N 3.08Å; S755-A758 PolarHBondContact O-N 2.91Å; S755-K759 WeakPolarHBondContact O-CB 3.49Å; S755-K759 WeakPolarHBondContact O-CG 3.21Å; S755-K759 PolarHBondContact O-N 3.18Å; S755-K759 VanDerWaalsContact OG-CE 3.22Å; S755-K759 WeakPolarHBondContact OG-CE 3.3Å; S755-K759 PolarHBondContact OG-NZ 2.99Å
756	G	92.9	Very high	94.4	Very high	4 Å²	4	19.5 Å²	19.5	4%	0.041	11%	0.11	C	C	.	.	H	α-helix	trans	-61.7	-37.5	-175.2	0	0	0	0	0	113.5	F752 W760 R762	F752-G756 WeakPolarHBondContact O-CA 3.49Å; F752-G756 PolarHBondContact O-N 3.49Å; G756-W760 WeakPolarHBondContact O-CB 3.34Å; G756-W760 PolarHBondContact O-N 3.4Å; G756-R762 PolarHBondContact O-N 3.31Å
757	Q	90.4	Very high	94.4	Very high	36 Å²	36	18 Å²	18	17%	0.168	10%	0.103	C	C	.	.	H	α-helix	trans	-67	-47.7	174.3	-171.1	174.2	-19.2	0	0	111.8	S755 K759 V761 R762 H763 K842	S755-Q757 VanDerWaalsContact C-N 3.33Å; S755-Q757 PolarHBondContact O-N 3.08Å; Q757-K759 VanDerWaalsContact C-N 3.33Å; Q757-K759 PolarHBondContact O-N 3.26Å; Q757-V761 WeakPolarHBondContact O-CA 3.47Å; Q757-V761 PolarHBondContact O-N 3.23Å; Q757-R762 WeakPolarHBondContact CA-O 3.27Å; Q757-R762 WeakPolarHBondContact CB-O 3.48Å; Q757-R762 PolarHBondContact N-O 2.91Å; Q757-H763 PolarHBondContact NE2-CE1 3.46Å; Q757-H763 VanDerWaalsContact NE2-CE1 3.29Å; Q757-K842 VanDerWaalsContact CD-NZ 3.26Å; Q757-K842 VanDerWaalsContact OE1-CE 3.27Å
758	A	89.3	Confident	94.4	Very high	46 Å²	46	17 Å²	17	38%	0.38	10%	0.096	S	C	.	.	H	α-helix	trans	-63.7	-38	-179.4	0	0	0	0	0	112.6	G334 S335 G336 S755	G334-A758 CarbonylContact C-O 3.58Å; G334-A758 WeakPolarHBondContact CA-O 3.24Å; S335-A758 PolarHBondContact N-O 3.08Å; S335-A758 PolarHBondContact OG-O 2.56Å; G336-A758 PolarHBondContact N-O 3.17Å; S755-A758 PolarHBondContact O-N 2.91Å
759	K	89.9	Confident	94.4	Very high	24 Å²	24	17 Å²	17	10%	0.104	10%	0.096	C	C	.	.	H	α-helix	trans	-80.3	-38.9	-178.4	-67.8	-172.5	-59.4	-175	0	113.3	G336 D337 Q751 S755 Q757	G336-K759 CarbonylContact C-O 3.56Å; G336-K759 VanDerWaalsContact C-O 3.3Å; G336-K759 WeakPolarHBondContact CA-O 3.48Å; D337-K759 HydrophobicContact CB-CB 4.35Å; Q751-K759 WeakPolarHBondContact O-CE 3.49Å; Q751-K759 PolarHBondContact O-NZ 2.82Å; S755-K759 WeakPolarHBondContact O-CB 3.49Å; S755-K759 WeakPolarHBondContact O-CG 3.21Å; S755-K759 PolarHBondContact O-N 3.18Å; S755-K759 VanDerWaalsContact OG-CE 3.22Å; S755-K759 WeakPolarHBondContact OG-CE 3.3Å; S755-K759 PolarHBondContact OG-NZ 2.99Å; Q757-K759 VanDerWaalsContact C-N 3.33Å; Q757-K759 PolarHBondContact O-N 3.26Å
760	W	88.8	Confident	94.4	Very high	8 Å²	8	17 Å²	17	3%	0.03	10%	0.096	C	C	.	.	H	α-helix	trans	-133.6	9.4	-164.9	-48.1	-44.9	0	0	0	114.2	D337 A363 Q751 F752 G756 R762	D337-W760 PolarHBondContact OD2-NE1 2.95Å; A363-W760 HydrophobicContact CB-CB 4.15Å; A363-W760 HydrophobicContact CB-CD2 3.53Å; A363-W760 HydrophobicContact CB-CE3 3.91Å; A363-W760 HydrophobicContact CB-CG 3.64Å; Q751-W760 VanDerWaalsContact O-CH2 3.3Å; Q751-W760 WeakPolarHBondContact O-CH2 3.48Å; F752-W760 AromaticContact CD1-CH2 3.93Å; F752-W760 HydrophobicContact CD1-CH2 3.93Å; F752-W760 AromaticContact CD1-CZ3 3.58Å; F752-W760 HydrophobicContact CD1-CZ3 3.58Å; F752-W760 HydrophobicContact CE1-CH2 4.03Å; F752-W760 HydrophobicContact CE1-CZ3 4.01Å; F752-W760 HydrophobicContact CG-CH2 4.46Å; F752-W760 HydrophobicContact CG-CZ3 4.25Å; G756-W760 WeakPolarHBondContact O-CB 3.34Å; G756-W760 PolarHBondContact O-N 3.4Å; W760-R762 HydrophobicContact CB-CG 3.72Å; W760-R762 HydrophobicContact CE3-CG 4.42Å; W760-R762 PolarHBondContact O-N 3.34Å
761	V	86.1	Confident	94.5	Very high	32 Å²	32	14.7 Å²	14.7	19%	0.194	8%	0.084	C	C	.	.			trans	54.7	35.5	-176.4	-168	0	0	0	0	111.2	I572 L576 Q757	I572-V761 HydrophobicContact CB-CG2 3.74Å; I572-V761 HydrophobicContact CG2-CB 4.36Å; I572-V761 HydrophobicContact CG2-CG2 3.56Å; L576-V761 HydrophobicContact CD2-CB 4.23Å; L576-V761 WeakPolarHBondContact CD2-O 3.43Å; Q757-V761 WeakPolarHBondContact O-CA 3.47Å; Q757-V761 PolarHBondContact O-N 3.23Å
762	R	85.6	Confident	94.5	Very high	20 Å²	20	13 Å²	13	8%	0.075	8%	0.076	C	C	.	.			trans	-91.3	102.9	179.4	-68.6	-71.5	177.3	-109.4	-33.1	112.3	W575 L576 D577 G756 Q757 W760	W575-R762 PolarHBondContact O-NH2 3.45Å; L576-R762 VanDerWaalsContact CA-NH2 3.26Å; L576-R762 VanDerWaalsContact CB-NH1 3.26Å; D577-R762 IonicContact OD1-CZ 2.69Å; D577-R762 IonicContact OD1-NE 2.92Å; D577-R762 PolarHBondContact OD1-NE 3.27Å; D577-R762 IonicContact OD1-NH1 2.61Å; D577-R762 PolarHBondContact OD1-NH1 3.16Å; D577-R762 IonicContact OD1-NH2 3.53Å; D577-R762 PolarHBondContact OD1-NH2 2.69Å; D577-R762 IonicContact OD2-CZ 3.33Å; D577-R762 VanDerWaalsContact OD2-CZ 3.23Å; D577-R762 IonicContact OD2-NE 3.23Å; D577-R762 PolarHBondContact OD2-NE 2.94Å; D577-R762 IonicContact OD2-NH2 2.92Å; D577-R762 PolarHBondContact OD2-NH2 2.95Å; G756-R762 PolarHBondContact O-N 3.31Å; Q757-R762 WeakPolarHBondContact CA-O 3.27Å; Q757-R762 WeakPolarHBondContact CB-O 3.48Å; Q757-R762 PolarHBondContact N-O 2.91Å; W760-R762 HydrophobicContact CB-CG 3.72Å; W760-R762 HydrophobicContact CE3-CG 4.42Å; W760-R762 PolarHBondContact O-N 3.34Å
763	H	90.7	Very high	94.5	Very high	17 Å²	17	12.4 Å²	12.4	8%	0.079	7%	0.074	C	C	.	.			trans	-69.7	139.7	161.4	-67.8	-87.7	0	0	0	110.5	W580 F584 Q757 Y813 R841	W580-H763 HydrophobicContact CH2-CB 4.08Å; W580-H763 HydrophobicContact CZ3-CB 3.69Å; F584-H763 AromaticContact CE2-CD2 3.95Å; F584-H763 HydrophobicContact CZ-CB 4.31Å; F584-H763 AromaticContact CZ-CD2 3.57Å; F584-H763 AromaticContact CZ-CG 3.77Å; F584-H763 AromaticContact CZ-NE2 3.9Å; Q757-H763 PolarHBondContact NE2-CE1 3.46Å; Q757-H763 VanDerWaalsContact NE2-CE1 3.29Å; H763-Y813 AromaticContact CE1-CE2 3.96Å; H763-R841 HydrophobicContact CB-CB 4.32Å; H763-R841 PolarHBondContact ND1-O 3.02Å; H763-R841 VanDerWaalsContact ND1-O 3.16Å
764	N	94.9	Very high	94.4	Very high	11 Å²	11	12.2 Å²	12.2	6%	0.059	7%	0.073	C	C	.	.			trans	-147.6	137.6	175.1	-167.1	-67.3	0	0	0	109.7	L721 A724 M725 I766 R841 K842 P843	L721-N764 HydrophobicContact CD1-CB 4.41Å; L721-N764 WeakPolarHBondContact CD1-ND2 3.32Å; L721-N764 PolarHBondContact O-ND2 3.21Å; A724-N764 WeakPolarHBondContact CB-OD1 3.45Å; M725-N764 VanDerWaalsContact CG-ND2 3.26Å; M725-N764 WeakPolarHBondContact CG-ND2 2.91Å; N764-I766 VanDerWaalsContact OD1-CB 3.25Å; N764-I766 WeakPolarHBondContact OD1-CB 3.32Å; N764-I766 WeakPolarHBondContact OD1-CG2 3.38Å; N764-I766 PolarHBondContact OD1-N 2.94Å; N764-R841 CarbonylContact O-C 3.55Å; N764-K842 CarbonylContact O-C 3.52Å; N764-K842 VanDerWaalsContact O-CA 3.3Å; N764-K842 WeakPolarHBondContact O-CA 3.39Å; N764-K842 PolarHBondContact O-N 2.83Å; N764-P843 WeakPolarHBondContact O-CD 3.23Å; N764-P843 VanDerWaalsContact O-N 3.16Å
765	G	96.3	Very high	94.4	Very high	4 Å²	4	14 Å²	14	4%	0.041	8%	0.079	C	C	.	.			trans	-101.1	13.1	-174.8	0	0	0	0	0	115.1	Q835	G765-Q835 VanDerWaalsContact C-NE2 3.28Å; G765-Q835 VanDerWaalsContact CA-NE2 3.31Å; G765-Q835 PolarHBondContact O-NE2 3.33Å
766	I	98.6	Very high	94.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.079	C	C	.	.			trans	-59	138.1	-175.7	-166.2	174.7	0	0	0	112	L717 E720 L721 A724 I753 N764 L768 P843 L844	L717-I766 HydrophobicContact CD1-CD1 3.72Å; E720-I766 HydrophobicContact CB-CD1 4.12Å; L721-I766 HydrophobicContact CB-CD1 4.28Å; L721-I766 HydrophobicContact CD1-CG2 4.46Å; A724-I766 HydrophobicContact CB-CB 4.17Å; I753-I766 HydrophobicContact CG2-CG2 4.49Å; N764-I766 VanDerWaalsContact OD1-CB 3.25Å; N764-I766 WeakPolarHBondContact OD1-CB 3.32Å; N764-I766 WeakPolarHBondContact OD1-CG2 3.38Å; N764-I766 PolarHBondContact OD1-N 2.94Å; I766-L768 HydrophobicContact CD1-CD1 4.04Å; I766-L768 HydrophobicContact CG1-CD1 3.96Å; I766-L768 HydrophobicContact CG2-CD1 4.01Å; I766-P843 HydrophobicContact CG2-CB 4.13Å; I766-P843 HydrophobicContact CG2-CG 4.46Å; I766-P843 WeakPolarHBondContact O-CA 3.31Å; I766-L844 PolarHBondContact O-N 3.31Å
767	V	98.9	Very high	94.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	124.6	174.4	-174.7	0	0	0	0	109.3	L731 V732 C733 W734 L769 L832 Q835 L844 I846	L731-V767 HydrophobicContact CD1-CG2 3.86Å; V732-V767 PolarHBondContact O-N 3.29Å; C733-V767 WeakPolarHBondContact CA-O 3.47Å; C733-V767 HydrophobicContact CB-CB 4.47Å; W734-V767 PolarHBondContact N-O 3.12Å; V767-L769 HydrophobicContact CG1-CD2 3.8Å; V767-L769 HydrophobicContact CG1-CG 4.4Å; V767-L832 HydrophobicContact CG1-CD2 4.31Å; V767-Q835 HydrophobicContact CG2-CG 3.93Å; V767-L844 CarbonylContact C-O 3.57Å; V767-L844 VanDerWaalsContact CA-O 3.32Å; V767-L844 WeakPolarHBondContact CA-O 3.35Å; V767-L844 HydrophobicContact CG1-CB 4.43Å; V767-L844 HydrophobicContact CG1-CD2 4.27Å; V767-L844 HydrophobicContact CG1-CG 4.35Å; V767-L844 HydrophobicContact CG2-CB 4.27Å; V767-L844 HydrophobicContact CG2-CD2 4.37Å; V767-I846 HydrophobicContact CG1-CD1 3.75Å; V767-I846 HydrophobicContact CG1-CG1 4.07Å
768	L	98.9	Very high	94.9	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	116.8	173.9	-81.4	65.5	0	0	0	108.5	L717 W734 I753 I766 L770 L844 I845 I846	L717-L768 HydrophobicContact CD1-CD1 4.19Å; L717-L768 HydrophobicContact CD1-CD2 4.45Å; L717-L768 HydrophobicContact CD1-CG 4.25Å; L717-L768 HydrophobicContact CD2-CD2 4.36Å; W734-L768 HydrophobicContact CE3-CG 4.1Å; W734-L768 WeakPolarHBondContact O-CA 3.25Å; I753-L768 HydrophobicContact CD1-CD1 4.1Å; I753-L768 HydrophobicContact CD1-CD2 4.2Å; I766-L768 HydrophobicContact CD1-CD1 4.04Å; I766-L768 HydrophobicContact CG1-CD1 3.96Å; I766-L768 HydrophobicContact CG2-CD1 4.01Å; L768-L770 HydrophobicContact CB-CD2 4.4Å; L768-L770 HydrophobicContact CB-CG 4.28Å; L768-L844 PolarHBondContact N-O 3.46Å; L768-I845 HydrophobicContact CB-CD1 3.88Å; L768-I845 HydrophobicContact CD1-CD1 4.17Å; L768-I845 HydrophobicContact CD2-CD1 3.8Å; L768-I845 HydrophobicContact CG-CD1 4.15Å; L768-I846 PolarHBondContact O-N 3.29Å
769	L	98.9	Very high	95.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	108.6	175.5	-55.8	178.7	0	0	0	108.3	L664 C733 W734 E735 A736 V767 P771 Y828 I846 T848	L664-L769 HydrophobicContact CD1-CD1 4.07Å; C733-L769 HydrophobicContact CB-CD1 4.21Å; W734-L769 PolarHBondContact O-N 3.25Å; E735-L769 WeakPolarHBondContact CA-O 3.49Å; E735-L769 HydrophobicContact CB-CB 3.9Å; E735-L769 HydrophobicContact CB-CD1 4.24Å; E735-L769 HydrophobicContact CG-CB 3.88Å; A736-L769 PolarHBondContact N-O 3.45Å; V767-L769 HydrophobicContact CG1-CD2 3.8Å; V767-L769 HydrophobicContact CG1-CG 4.4Å; L769-P771 WeakPolarHBondContact O-CD 3.47Å; L769-Y828 HydrophobicContact CD2-CE2 4.19Å; L769-I846 HydrophobicContact CD2-CB 4.11Å; L769-I846 HydrophobicContact CD2-CD1 3.87Å; L769-I846 HydrophobicContact CD2-CG1 4.29Å; L769-T848 HydrophobicContact CB-CG2 3.93Å; L769-T848 HydrophobicContact CD2-CG2 3.87Å; L769-T848 HydrophobicContact CG-CG2 4.46Å
770	L	98.9	Very high	95.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	97	-170.6	-57.3	-178.6	0	0	0	111.2	W734 A736 H742 L768 H772 A784 F789 I845 I846 L847 T848	W734-L770 HydrophobicContact CZ3-CD2 3.8Å; A736-L770 HydrophobicContact CB-CD2 3.9Å; H742-L770 HydrophobicContact CB-CD2 3.96Å; L768-L770 HydrophobicContact CB-CD2 4.4Å; L768-L770 HydrophobicContact CB-CG 4.28Å; L770-H772 PolarHBondContact O-N 2.86Å; L770-H772 VanDerWaalsContact O-N 3.15Å; L770-A784 HydrophobicContact CB-CB 3.75Å; L770-A784 HydrophobicContact CD1-CB 4.29Å; L770-F789 HydrophobicContact CD1-CE2 3.51Å; L770-F789 HydrophobicContact CD1-CZ 3.52Å; L770-I845 HydrophobicContact CD1-CG2 3.78Å; L770-I846 PolarHBondContact N-O 3.16Å; L770-L847 HydrophobicContact CB-CD2 4.46Å; L770-L847 CarbonylContact O-C 3.49Å; L770-L847 WeakPolarHBondContact O-CA 3.38Å; L770-T848 VanDerWaalsContact C-OG1 3.22Å; L770-T848 PolarHBondContact N-OG1 3.45Å; L770-T848 PolarHBondContact O-N 3.33Å
771	P	98.8	Very high	96.1	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	119.1	-179	-27	34.4	0	0	0	112.9	F674 A736 G739 L769 T848 K850	F674-P771 HydrophobicContact CE2-CB 3.82Å; F674-P771 HydrophobicContact CE2-CG 3.97Å; F674-P771 HydrophobicContact CZ-CB 3.95Å; F674-P771 HydrophobicContact CZ-CG 4.45Å; A736-P771 VanDerWaalsContact O-CD 3.24Å; A736-P771 WeakPolarHBondContact O-CD 3.44Å; A736-P771 WeakPolarHBondContact O-CG 3.37Å; G739-P771 WeakPolarHBondContact CA-O 3.37Å; G739-P771 PolarHBondContact N-O 3.01Å; L769-P771 WeakPolarHBondContact O-CD 3.47Å; P771-T848 CarbonylContact C-O 3.37Å; P771-T848 VanDerWaalsContact CA-O 3.27Å; P771-T848 WeakPolarHBondContact CA-O 3.41Å; P771-T848 WeakPolarHBondContact CA-OG1 3.45Å; P771-T848 VanDerWaalsContact N-OG1 3.13Å; P771-K850 HydrophobicContact CB-CD 4.26Å; P771-K850 HydrophobicContact CB-CG 3.93Å
772	H	98.8	Very high	96.7	Very high	9 Å²	9	20.1 Å²	20.1	4%	0.042	11%	0.106	C	C	.	.			trans	-133.6	147.6	-169.1	-178.1	49.7	0	0	0	111.5	L770 S782 S783 A784 L847 T848 E949 Y955	L770-H772 PolarHBondContact O-N 2.86Å; L770-H772 VanDerWaalsContact O-N 3.15Å; H772-S782 PolarHBondContact ND1-O 3.27Å; H772-S783 WeakPolarHBondContact ND1-CA 3.3Å; H772-A784 HydrophobicContact CB-CB 4.01Å; H772-A784 PolarHBondContact ND1-N 3.24Å; H772-L847 HydrophobicContact CB-CB 4.04Å; H772-T848 PolarHBondContact N-O 3.25Å; H772-E949 IonicContact CE1-OE1 3.69Å; H772-E949 PolarHBondContact CE1-OE1 3.22Å; H772-E949 IonicContact NE2-OE1 2.74Å; H772-E949 PolarHBondContact NE2-OE1 2.9Å; H772-Y955 PolarHBondContact CD2-OH 3.16Å; H772-Y955 PolarHBondContact NE2-OH 2.99Å; H772-Y955 VanDerWaalsContact NE2-OH 3.15Å
773	G	97.5	Very high	97.3	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.01	10%	0.102	C	C	.	.			trans	147.2	137.1	170.6	0	0	0	0	0	113.4	E775 S782 K850 E948	G773-E775 PolarHBondContact O-N 2.96Å; G773-S782 CarbonylContact C-O 3.32Å; G773-S782 PolarHBondContact N-O 2.98Å; G773-K850 WeakPolarHBondContact O-CE 3.48Å; G773-K850 PolarHBondContact O-NZ 2.71Å; G773-E948 VanDerWaalsContact CA-OE1 3.23Å; G773-E948 WeakPolarHBondContact CA-OE1 3.47Å
774	M	97	Very high	97.6	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.015	10%	0.099	C	C	.	.			trans	-81.1	97.7	178.4	-58.9	-73.5	164.9	0	0	110.3	K897 E948 E949 R978 A984 A985 H992	M774-K897 WeakPolarHBondContact O-CE 3.45Å; M774-K897 PolarHBondContact O-NZ 2.91Å; M774-E948 HydrophobicContact CB-CB 4.22Å; M774-E948 HydrophobicContact CB-CG 4Å; M774-E948 WeakPolarHBondContact CB-OE2 3.46Å; M774-E948 HydrophobicContact CG-CB 4.12Å; M774-E948 HydrophobicContact CG-CG 3.69Å; M774-E948 VanDerWaalsContact N-CD 3.33Å; M774-E948 PolarHBondContact N-OE1 3.29Å; M774-E949 HydrophobicContact CE-CB 4.2Å; M774-E949 HydrophobicContact CE-CG 3.86Å; M774-R978 VanDerWaalsContact CB-NH1 3.34Å; M774-A984 WeakPolarHBondContact CE-O 3.41Å; M774-A985 HydrophobicContact SD-CB 3.84Å; M774-H992 PolarHBondContact O-CE1 3.07Å
775	E	96.6	Very high	97.8	Very high	53 Å²	53	20.3 Å²	20.3	25%	0.248	11%	0.105	C	C	.	.	S	Bend	trans	-119.8	11.4	-173.9	-63.8	174.9	179.3	0	0	113.3	G773 M777 S851 K897	G773-E775 PolarHBondContact O-N 2.96Å; E775-M777 HydrophobicContact CB-CE 4.36Å; E775-M777 HydrophobicContact CB-CG 4.47Å; E775-S851 WeakPolarHBondContact OE1-CB 3.19Å; E775-S851 PolarHBondContact OE1-N 3.23Å; E775-S851 PolarHBondContact OE1-OG 2.89Å; E775-K897 HydrophobicContact CG-CD 4.44Å
776	G	96	Very high	97.9	Very high	16 Å²	16	20.1 Å²	20.1	17%	0.165	10%	0.103	C	C	.	.	S	Bend	trans	76.1	25.2	-179.9	0	0	0	0	0	114	H992	G776-H992 PolarHBondContact N-CE1 2.81Å
777	M	95.7	Very high	97.9	Very high	83 Å²	83	22 Å²	22	41%	0.409	11%	0.112	S	C	.	.	S	Bend	trans	-91.9	6	178.9	-63.4	-162.8	-72.9	0	0	114.1	F738 E775 H781 K850	F738-M777 HydrophobicContact CE1-CE 3.78Å; F738-M777 HydrophobicContact CZ-CE 4.45Å; E775-M777 HydrophobicContact CB-CE 4.36Å; E775-M777 HydrophobicContact CB-CG 4.47Å; M777-H781 HydrophobicContact CB-CB 3.8Å; M777-H781 HydrophobicContact CE-CB 4.47Å; M777-K850 HydrophobicContact CE-CD 3.88Å
778	G	96.9	Very high	97.9	Very high	7 Å²	7	26 Å²	26	7%	0.072	13%	0.127	C	C	.	.			trans	88.3	179	-178.9	0	0	0	0	0	114.1	E780 S782	G778-E780 PolarHBondContact O-N 3.47Å; G778-S782 WeakPolarHBondContact O-CB 3.42Å; G778-S782 PolarHBondContact O-OG 2.84Å
779	P	97.3	Very high	97.9	Very high	41 Å²	41	26.1 Å²	26.1	27%	0.266	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-22.7	-166.1	24.9	-34.1	0	0	0	115.7	A983 A984 A985	P779-A983 HydrophobicContact CB-CB 4.06Å; P779-A984 WeakPolarHBondContact O-CB 3.37Å; P779-A985 WeakPolarHBondContact CB-O 3.13Å
780	E	97.3	Very high	97.9	Very high	90 Å²	90	26.3 Å²	26.3	42%	0.421	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	12.5	-175.9	-53.1	-53.3	139.2	0	0	113.5	D740 G778	D740-E780 WeakPolarHBondContact CB-O 3.32Å; D740-E780 VanDerWaalsContact OD1-C 3.27Å; G778-E780 PolarHBondContact O-N 3.47Å
781	H	98.2	Very high	97.8	Very high	67 Å²	67	34.2 Å²	34.2	31%	0.31	17%	0.165	S	C	.	.	S	Bend	trans	-140.6	30.4	-179.2	-60.8	92.3	0	0	0	111.5	F738 D740 M777 K850	F738-H781 HydrophobicContact CD1-CB 3.83Å; F738-H781 AromaticContact CD1-CD2 3.83Å; F738-H781 AromaticContact CD2-CD2 3.65Å; F738-H781 HydrophobicContact CE1-CB 3.78Å; F738-H781 AromaticContact CE1-CD2 3.75Å; F738-H781 AromaticContact CE2-CD2 3.61Å; F738-H781 AromaticContact CG-CD2 3.77Å; F738-H781 HydrophobicContact CZ-CB 4.45Å; F738-H781 AromaticContact CZ-CD2 3.65Å; D740-H781 PolarHBondContact OD1-N 2.93Å; M777-H781 HydrophobicContact CB-CB 3.8Å; M777-H781 HydrophobicContact CE-CB 4.47Å; H781-K850 PolarHBondContact O-NZ 2.95Å
782	S	98.1	Very high	97.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-131.4	-43.8	-170.1	-67.5	0	0	0	0	113.2	D740 H772 G773 G778 A985	D740-S782 PolarHBondContact OD1-N 2.89Å; D740-S782 PolarHBondContact OD2-N 2.77Å; H772-S782 PolarHBondContact ND1-O 3.27Å; G773-S782 CarbonylContact C-O 3.32Å; G773-S782 PolarHBondContact N-O 2.98Å; G778-S782 WeakPolarHBondContact O-CB 3.42Å; G778-S782 PolarHBondContact O-OG 2.84Å; S782-A985 WeakPolarHBondContact OG-CB 3.39Å
783	S	98.4	Very high	97.7	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.007	18%	0.178	C	C	.	.			trans	-125	121.5	-168.3	-167	0	0	0	0	113.1	D740 H772 R785	D740-S783 VanDerWaalsContact CA-O 3.28Å; D740-S783 WeakPolarHBondContact CA-O 3.26Å; D740-S783 PolarHBondContact N-O 3.31Å; D740-S783 PolarHBondContact OD1-N 3.12Å; D740-S783 PolarHBondContact OD2-N 3.25Å; H772-S783 WeakPolarHBondContact ND1-CA 3.3Å; S783-R785 PolarHBondContact O-N 3.11Å; S783-R785 WeakPolarHBondContact OG-CA 3.32Å; S783-R785 PolarHBondContact OG-N 3.26Å
784	A	98.4	Very high	97.5	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.202	C	C	.	.			trans	-74.1	7.4	163.1	0	0	0	0	0	113	H742 L770 H772 L847	H742-A784 PolarHBondContact CE1-O 2.86Å; H742-A784 PolarHBondContact NE2-O 2.84Å; L770-A784 HydrophobicContact CB-CB 3.75Å; L770-A784 HydrophobicContact CD1-CB 4.29Å; H772-A784 HydrophobicContact CB-CB 4.01Å; H772-A784 PolarHBondContact ND1-N 3.24Å; A784-L847 HydrophobicContact CB-CD2 3.68Å
785	R	98.5	Very high	97.1	Very high	51 Å²	51	42.5 Å²	42.5	19%	0.192	21%	0.21	C	C	.	.			trans	50.8	53.1	-179.1	-59.4	-175.2	173.8	-84.2	2.5	113.3	S783 E787 R788	S783-R785 PolarHBondContact O-N 3.11Å; S783-R785 WeakPolarHBondContact OG-CA 3.32Å; S783-R785 PolarHBondContact OG-N 3.26Å; R785-E787 VanDerWaalsContact C-OE2 3.27Å; R785-E787 WeakPolarHBondContact CA-OE1 3.29Å; R785-E787 WeakPolarHBondContact CA-OE2 3.36Å; R785-E787 VanDerWaalsContact CB-OE1 3.31Å; R785-E787 WeakPolarHBondContact CB-OE1 3.17Å; R785-E787 IonicContact NH1-OE1 3.48Å; R785-E787 PolarHBondContact O-N 3.44Å; R785-R788 WeakPolarHBondContact O-CB 3.45Å; R785-R788 PolarHBondContact O-N 3.25Å
786	P	98.5	Very high	96.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-55.8	-28	-179.3	27.1	-36.8	0	0	0	112.7	R788 F789 L790 L847 Y955	P786-R788 PolarHBondContact O-N 2.94Å; P786-R788 VanDerWaalsContact O-N 3.13Å; P786-F789 PolarHBondContact O-N 2.73Å; P786-L790 WeakPolarHBondContact O-CB 3.23Å; P786-L790 VanDerWaalsContact O-CG 3.22Å; P786-L790 WeakPolarHBondContact O-CG 3.31Å; P786-L790 PolarHBondContact O-N 2.95Å; P786-L847 HydrophobicContact CB-CD1 3.59Å; P786-L847 HydrophobicContact CB-CD2 4.31Å; P786-L847 HydrophobicContact CG-CD1 4.1Å; P786-Y955 HydrophobicContact CB-CD1 4.3Å; P786-Y955 HydrophobicContact CB-CE1 3.63Å; P786-Y955 HydrophobicContact CG-CD1 4.44Å; P786-Y955 HydrophobicContact CG-CE1 3.77Å; P786-Y955 HydrophobicContact CG-CE2 4.4Å
787	E	98.5	Very high	96.7	Very high	40 Å²	40	45.3 Å²	45.3	19%	0.187	23%	0.225	C	C	.	.	H	α-helix	trans	-54.7	-31.9	175.3	67.1	-78.1	178	0	0	113.2	R785 Q791 G954	R785-E787 VanDerWaalsContact C-OE2 3.27Å; R785-E787 WeakPolarHBondContact CA-OE1 3.29Å; R785-E787 WeakPolarHBondContact CA-OE2 3.36Å; R785-E787 VanDerWaalsContact CB-OE1 3.31Å; R785-E787 WeakPolarHBondContact CB-OE1 3.17Å; R785-E787 IonicContact NH1-OE1 3.48Å; R785-E787 PolarHBondContact O-N 3.44Å; E787-Q791 VanDerWaalsContact O-CB 3.28Å; E787-Q791 WeakPolarHBondContact O-CB 3.42Å; E787-Q791 PolarHBondContact O-N 2.92Å; E787-G954 VanDerWaalsContact CA-O 3.25Å; E787-G954 WeakPolarHBondContact CA-O 3.49Å; E787-G954 WeakPolarHBondContact CB-O 3.23Å; E787-G954 PolarHBondContact N-O 3.2Å; E787-G954 PolarHBondContact OE2-N 2.93Å
788	R	98.5	Very high	96.5	Very high	82 Å²	82	46.6 Å²	46.6	31%	0.309	23%	0.234	S	C	.	.	H	α-helix	trans	-76.6	-43.2	-179	-172.2	177	-65.6	174.1	-2.1	111.6	R785 P786 L790 Q791 M792	R785-R788 WeakPolarHBondContact O-CB 3.45Å; R785-R788 PolarHBondContact O-N 3.25Å; P786-R788 PolarHBondContact O-N 2.94Å; P786-R788 VanDerWaalsContact O-N 3.13Å; R788-L790 VanDerWaalsContact C-N 3.32Å; R788-Q791 PolarHBondContact O-N 3.34Å; R788-M792 HydrophobicContact CG-SD 4.31Å; R788-M792 WeakPolarHBondContact O-CG 3.39Å; R788-M792 PolarHBondContact O-N 3.41Å
789	F	98.7	Very high	96.2	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.018	25%	0.248	C	C	.	.	H	α-helix	trans	-62.2	-43.2	172.5	-68.7	-80.4	0	0	0	111	H742 I749 L770 P786 Q791 M792 S793 W817 V819 I845	H742-F789 AromaticContact CD2-CE2 3.41Å; H742-F789 VanDerWaalsContact CD2-CE2 3.41Å; H742-F789 WeakPolarHBondContact CD2-CE2 3.23Å; H742-F789 AromaticContact CD2-CZ 3.37Å; H742-F789 WeakPolarHBondContact CD2-CZ 3.38Å; H742-F789 AromaticContact NE2-CE2 3.51Å; H742-F789 AromaticContact NE2-CZ 3.94Å; I749-F789 HydrophobicContact CD1-CE1 4.38Å; I749-F789 HydrophobicContact CD1-CZ 4.24Å; I749-F789 HydrophobicContact CG2-CD1 4.43Å; I749-F789 HydrophobicContact CG2-CE1 3.89Å; L770-F789 HydrophobicContact CD1-CE2 3.51Å; L770-F789 HydrophobicContact CD1-CZ 3.52Å; P786-F789 PolarHBondContact O-N 2.73Å; F789-Q791 PolarHBondContact O-N 3.38Å; F789-M792 CarbonylContact O-C 3.26Å; F789-M792 PolarHBondContact O-N 2.9Å; F789-M792 VanDerWaalsContact O-N 3.12Å; F789-S793 PolarHBondContact O-N 3.02Å; F789-S793 VanDerWaalsContact O-N 3.15Å; F789-W817 HydrophobicContact CB-CZ2 4.25Å; F789-W817 AromaticContact CD1-CH2 3.89Å; F789-W817 HydrophobicContact CD1-CH2 3.89Å; F789-W817 HydrophobicContact CD1-CZ2 4.11Å; F789-W817 HydrophobicContact CD1-CZ3 4.24Å; F789-W817 WeakPolarHBondContact O-CZ2 3.17Å; F789-W817 PolarHBondContact O-NE1 2.91Å; F789-V819 HydrophobicContact CB-CG2 4.28Å; F789-I845 HydrophobicContact CD1-CD1 4.21Å; F789-I845 HydrophobicContact CD1-CG1 3.95Å; F789-I845 HydrophobicContact CD1-CG2 4.09Å; F789-I845 HydrophobicContact CD2-CG2 4.26Å; F789-I845 HydrophobicContact CE1-CD1 3.9Å; F789-I845 HydrophobicContact CE1-CG1 4.11Å; F789-I845 HydrophobicContact CE1-CG2 4.03Å; F789-I845 HydrophobicContact CE2-CG2 4.21Å; F789-I845 HydrophobicContact CG-CG2 4.19Å; F789-I845 HydrophobicContact CZ-CG2 4.07Å
790	L	98.5	Very high	95.9	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.016	25%	0.251	C	S	.	.	H	α-helix	trans	-68.4	-35.3	-179.3	-67.5	173.2	0	0	0	112.9	P786 R788 M792 S793 V819 I923 Y955 Y958	P786-L790 WeakPolarHBondContact O-CB 3.23Å; P786-L790 VanDerWaalsContact O-CG 3.22Å; P786-L790 WeakPolarHBondContact O-CG 3.31Å; P786-L790 PolarHBondContact O-N 2.95Å; R788-L790 VanDerWaalsContact C-N 3.32Å; L790-M792 PolarHBondContact O-N 2.85Å; L790-S793 WeakPolarHBondContact O-CB 3.49Å; L790-S793 PolarHBondContact O-N 3.38Å; L790-V819 HydrophobicContact CD2-CB 4.22Å; L790-V819 HydrophobicContact CD2-CG1 4.21Å; L790-V819 HydrophobicContact CD2-CG2 4.35Å; L790-I923 HydrophobicContact CD1-CG2 3.82Å; L790-I923 HydrophobicContact CD2-CB 4.08Å; L790-I923 HydrophobicContact CD2-CG2 3.52Å; L790-I923 HydrophobicContact CG-CG2 4.33Å; L790-Y955 HydrophobicContact CD1-CD1 3.73Å; L790-Y955 HydrophobicContact CD1-CE1 4.46Å; L790-Y958 HydrophobicContact CB-CD1 4.49Å; L790-Y958 HydrophobicContact CB-CD2 3.59Å; L790-Y958 HydrophobicContact CB-CE2 4.21Å; L790-Y958 HydrophobicContact CB-CG 3.74Å; L790-Y958 HydrophobicContact CD1-CD1 4.26Å; L790-Y958 HydrophobicContact CD1-CG 4.1Å; L790-Y958 HydrophobicContact CD2-CD1 4Å; L790-Y958 HydrophobicContact CD2-CD2 4.17Å; L790-Y958 HydrophobicContact CD2-CE1 4Å; L790-Y958 HydrophobicContact CD2-CE2 4.14Å; L790-Y958 HydrophobicContact CD2-CG 4.08Å; L790-Y958 HydrophobicContact CG-CD1 4.47Å; L790-Y958 HydrophobicContact CG-CD2 4.35Å; L790-Y958 HydrophobicContact CG-CG 4.18Å; L790-Y958 WeakPolarHBondContact O-CD2 3.23Å
791	Q	97.9	Very high	95.7	Very high	166 Å²	166	47.8 Å²	47.8	78%	0.776	24%	0.241	S	C	*	.	H	α-helix	trans	-62.1	-29.9	172.1	176.8	174.2	60.4	0	0	112.6	E787 R788 F789	E787-Q791 VanDerWaalsContact O-CB 3.28Å; E787-Q791 WeakPolarHBondContact O-CB 3.42Å; E787-Q791 PolarHBondContact O-N 2.92Å; R788-Q791 PolarHBondContact O-N 3.34Å; F789-Q791 PolarHBondContact O-N 3.38Å
792	M	97.6	Very high	95.2	Very high	45 Å²	45	53.4 Å²	53.4	22%	0.222	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	2.1	-178.8	-72.3	167.7	67.1	0	0	113.1	I749 D750 S754 R788 F789 L790 N816 W817	I749-M792 HydrophobicContact CG2-CE 4.43Å; D750-M792 HydrophobicContact CB-CE 4.14Å; D750-M792 WeakPolarHBondContact OD1-CE 3.48Å; S754-M792 WeakPolarHBondContact OG-CE 3.33Å; R788-M792 HydrophobicContact CG-SD 4.31Å; R788-M792 WeakPolarHBondContact O-CG 3.39Å; R788-M792 PolarHBondContact O-N 3.41Å; F789-M792 CarbonylContact O-C 3.26Å; F789-M792 PolarHBondContact O-N 2.9Å; F789-M792 VanDerWaalsContact O-N 3.12Å; L790-M792 PolarHBondContact O-N 2.85Å; M792-N816 PolarHBondContact O-ND2 3.01Å; M792-W817 HydrophobicContact CB-CH2 3.8Å; M792-W817 HydrophobicContact CB-CZ2 3.47Å; M792-W817 VanDerWaalsContact CB-CZ2 3.47Å; M792-W817 HydrophobicContact CE-CH2 3.7Å; M792-W817 HydrophobicContact SD-CH2 4.24Å
793	S	97.3	Very high	94.9	Very high	15 Å²	15	57.8 Å²	57.8	11%	0.105	29%	0.287	C	S	.	.			trans	-69.7	144.4	168.5	-69.3	0	0	0	0	110.9	F789 L790 D795 N816 W817 S924	F789-S793 PolarHBondContact O-N 3.02Å; F789-S793 VanDerWaalsContact O-N 3.15Å; L790-S793 WeakPolarHBondContact O-CB 3.49Å; L790-S793 PolarHBondContact O-N 3.38Å; S793-D795 WeakPolarHBondContact CB-OD1 3.34Å; S793-N816 WeakPolarHBondContact CA-OD1 3.44Å; S793-W817 PolarHBondContact OG-NE1 2.85Å; S793-S924 WeakPolarHBondContact CB-OG 3.47Å; S793-S924 WeakPolarHBondContact OG-CB 3.36Å; S793-S924 PolarHBondContact OG-OG 3.35Å
794	N	93.7	Very high	94.4	Very high	95 Å²	95	61.1 Å²	61.1	51%	0.508	31%	0.311	S	S	.	.			trans	-92.8	12.7	-174.1	70.3	-30.4	0	0	0	114.9	E814 C815 N816	N794-E814 PolarHBondContact ND2-O 3.06Å; N794-E814 VanDerWaalsContact ND2-O 3.13Å; N794-C815 VanDerWaalsContact OD1-CA 3.29Å; N794-C815 WeakPolarHBondContact OD1-CA 3.29Å; N794-N816 HydrophobicContact CB-CB 4.44Å; N794-N816 PolarHBondContact N-OD1 2.92Å; N794-N816 VanDerWaalsContact N-OD1 3.1Å; N794-N816 PolarHBondContact OD1-N 2.75Å; N794-N816 PolarHBondContact OD1-OD1 2.63Å; N794-N816 VanDerWaalsContact OD1-OD1 3.05Å
795	D	88.8	Confident	93.8	Very high	33 Å²	33	70.9 Å²	70.9	18%	0.176	36%	0.356	C	S	.	.			trans	-87.3	135.4	-179	68.9	-67.1	0	0	0	112.4	S793 Y958 R962	S793-D795 WeakPolarHBondContact CB-OD1 3.34Å; D795-Y958 PolarHBondContact OD1-OH 2.88Å; D795-Y958 PolarHBondContact OD2-OH 2.75Å; D795-R962 PolarHBondContact O-NH2 3.36Å; D795-R962 IonicContact OD1-NH2 3.36Å; D795-R962 PolarHBondContact OD1-NH2 2.61Å; D795-R962 IonicContact OD2-CZ 3.97Å; D795-R962 IonicContact OD2-NE 2.87Å; D795-R962 PolarHBondContact OD2-NE 2.77Å; D795-R962 IonicContact OD2-NH2 3.66Å; D795-R962 PolarHBondContact OD2-NH2 3.24Å
796	D	91.2	Very high	93.4	Very high	100 Å²	100	73.6 Å²	73.6	54%	0.535	37%	0.371	S	S	.	.			trans	-75.6	125.8	178.2	-175	-10.2	0	0	0	110.4	D798 A799	D796-D798 VanDerWaalsContact C-N 3.31Å; D796-D798 PolarHBondContact O-N 3.29Å; D796-D798 PolarHBondContact OD1-N 2.99Å; D796-A799 HydrophobicContact CB-CB 3.84Å
797	S	93.1	Very high	93.1	Very high	28 Å²	28	74.5 Å²	74.5	20%	0.196	38%	0.375	C	S	.	.	S	Bend	trans	-73.7	-22.4	-178.4	64.3	0	0	0	0	114.1	T965	S797-T965 PolarHBondContact O-OG1 2.75Å
798	D	91.8	Very high	92.8	Very high	110 Å²	110	75.1 Å²	75.1	59%	0.588	38%	0.378	S	S	*	.	S	Bend	trans	-100.6	-11.1	-173.7	-60.9	-16.8	0	0	0	111.9	D796	D796-D798 VanDerWaalsContact C-N 3.31Å; D796-D798 PolarHBondContact O-N 3.29Å; D796-D798 PolarHBondContact OD1-N 2.99Å
799	A	90.9	Very high	92.6	Very high	45 Å²	45	71.8 Å²	71.8	37%	0.372	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-84.2	119.9	175.4	0	0	0	0	0	111.1	D796	D796-A799 HydrophobicContact CB-CB 3.84Å
800	Y	90.8	Very high	92.4	Very high	84 Å²	84	72.9 Å²	72.9	33%	0.329	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-88.2	116.4	169.1	-167.4	-90.3	0	0	0	109.4	F803 F928 K932 T965 I966	Y800-F803 AromaticContact CE1-CE2 3.98Å; Y800-F803 HydrophobicContact CE1-CE2 3.98Å; Y800-F803 AromaticContact CE1-CZ 3.94Å; Y800-F803 HydrophobicContact CE1-CZ 3.94Å; Y800-F803 AromaticContact CZ-CE2 3.93Å; Y800-F803 AromaticContact CZ-CZ 3.72Å; Y800-F803 WeakPolarHBondContact OH-CE2 3.45Å; Y800-F803 WeakPolarHBondContact OH-CZ 3.44Å; Y800-F928 HydrophobicContact CD2-CD1 4.04Å; Y800-F928 HydrophobicContact CE2-CB 4.49Å; Y800-F928 HydrophobicContact CE2-CD1 4.18Å; Y800-K932 WeakPolarHBondContact OH-CD 3.43Å; Y800-T965 HydrophobicContact CD2-CG2 4.34Å; Y800-I966 HydrophobicContact CE2-CG1 4.19Å
801	P	91.6	Very high	92.2	Very high	34 Å²	34	73.7 Å²	73.7	22%	0.221	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-74	154.3	-172	29.1	-34.7	0	0	0	112.9	F803 F807 F928	P801-F803 HydrophobicContact CG-CE1 3.96Å; P801-F807 HydrophobicContact CB-CE2 3.65Å; P801-F807 HydrophobicContact CB-CZ 4.09Å; P801-F807 HydrophobicContact CG-CE2 3.87Å; P801-F807 HydrophobicContact CG-CZ 3.77Å; P801-F928 HydrophobicContact CG-CB 3.82Å; P801-F928 HydrophobicContact CG-CD2 3.77Å; P801-F928 HydrophobicContact CG-CG 3.86Å
802	E	88.8	Confident	92.1	Very high	185 Å²	185	65.8 Å²	65.8	86%	0.864	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-81.6	131.4	169.1	-66.2	-170.9	172.7	0	0	110.6
803	F	91.3	Very high	91.9	Very high	92 Å²	92	65.4 Å²	65.4	40%	0.404	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-90.6	120.8	-179.9	-54	-45.9	0	0	0	111	Y800 P801 F807 F928 D929	Y800-F803 AromaticContact CE1-CE2 3.98Å; Y800-F803 HydrophobicContact CE1-CE2 3.98Å; Y800-F803 AromaticContact CE1-CZ 3.94Å; Y800-F803 HydrophobicContact CE1-CZ 3.94Å; Y800-F803 AromaticContact CZ-CE2 3.93Å; Y800-F803 AromaticContact CZ-CZ 3.72Å; Y800-F803 WeakPolarHBondContact OH-CE2 3.45Å; Y800-F803 WeakPolarHBondContact OH-CZ 3.44Å; P801-F803 HydrophobicContact CG-CE1 3.96Å; F803-F807 AromaticContact CD1-CD1 3.8Å; F803-F807 HydrophobicContact CD1-CD1 3.8Å; F803-F807 AromaticContact CD1-CD2 4Å; F803-F807 HydrophobicContact CD1-CD2 4Å; F803-F807 AromaticContact CD1-CE1 3.8Å; F803-F807 HydrophobicContact CD1-CE1 3.8Å; F803-F807 HydrophobicContact CD1-CE2 4.02Å; F803-F807 AromaticContact CD1-CG 3.91Å; F803-F807 HydrophobicContact CD1-CG 3.91Å; F803-F807 AromaticContact CD1-CZ 3.92Å; F803-F807 HydrophobicContact CD1-CZ 3.92Å; F803-F807 HydrophobicContact CE1-CD1 4.28Å; F803-F807 AromaticContact CE1-CE1 3.81Å; F803-F807 HydrophobicContact CE1-CE1 3.81Å; F803-F807 HydrophobicContact CE1-CE2 4.29Å; F803-F807 AromaticContact CE1-CZ 3.82Å; F803-F807 HydrophobicContact CE1-CZ 3.82Å; F803-F928 HydrophobicContact CE1-CB 4.17Å; F803-F928 HydrophobicContact CZ-CB 4.14Å; F803-D929 HydrophobicContact CD1-CB 3.93Å; F803-D929 HydrophobicContact CE1-CB 3.56Å; F803-D929 HydrophobicContact CE2-CB 4.25Å; F803-D929 HydrophobicContact CG-CB 4.45Å; F803-D929 HydrophobicContact CZ-CB 3.74Å
804	S	89.1	Confident	91.6	Very high	72 Å²	72	71 Å²	71	50%	0.503	36%	0.362	S	S	.	.			trans	-112.1	169.1	167.6	71	0	0	0	0	110.4	Q806 F807	S804-Q806 PolarHBondContact O-N 3.46Å; S804-Q806 VanDerWaalsContact O-N 3.1Å; S804-Q806 PolarHBondContact OG-N 2.98Å; S804-F807 WeakPolarHBondContact O-CB 3.48Å; S804-F807 PolarHBondContact O-N 2.87Å; S804-F807 PolarHBondContact OG-N 3.42Å
805	E	85.4	Confident	91.6	Very high	205 Å²	205	66.7 Å²	66.7	96%	0.958	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-24.8	174.5	-67.4	-174.1	169.8	0	0	113.1
806	Q	88.4	Confident	92	Very high	107 Å²	107	66 Å²	66	50%	0.5	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	9.9	-178.5	-64.7	168.7	11.3	0	0	112.5	S804 E808 V809 S810	S804-Q806 PolarHBondContact O-N 3.46Å; S804-Q806 VanDerWaalsContact O-N 3.1Å; S804-Q806 PolarHBondContact OG-N 2.98Å; Q806-E808 VanDerWaalsContact C-N 3.35Å; Q806-E808 PolarHBondContact O-N 3.42Å; Q806-V809 PolarHBondContact O-N 3.11Å; Q806-V809 VanDerWaalsContact O-N 3.07Å; Q806-S810 PolarHBondContact O-N 2.81Å; Q806-S810 PolarHBondContact O-OG 2.66Å
807	F	92.4	Very high	92.3	Very high	19 Å²	19	61.2 Å²	61.2	8%	0.083	31%	0.311	C	S	.	.	H	α-helix	trans	-48.5	-49.9	-171.5	172.4	-110.5	0	0	0	113.5	P801 F803 S804 V809 S810 Q811 D929	P801-F807 HydrophobicContact CB-CE2 3.65Å; P801-F807 HydrophobicContact CB-CZ 4.09Å; P801-F807 HydrophobicContact CG-CE2 3.87Å; P801-F807 HydrophobicContact CG-CZ 3.77Å; F803-F807 AromaticContact CD1-CD1 3.8Å; F803-F807 HydrophobicContact CD1-CD1 3.8Å; F803-F807 AromaticContact CD1-CD2 4Å; F803-F807 HydrophobicContact CD1-CD2 4Å; F803-F807 AromaticContact CD1-CE1 3.8Å; F803-F807 HydrophobicContact CD1-CE1 3.8Å; F803-F807 HydrophobicContact CD1-CE2 4.02Å; F803-F807 AromaticContact CD1-CG 3.91Å; F803-F807 HydrophobicContact CD1-CG 3.91Å; F803-F807 AromaticContact CD1-CZ 3.92Å; F803-F807 HydrophobicContact CD1-CZ 3.92Å; F803-F807 HydrophobicContact CE1-CD1 4.28Å; F803-F807 AromaticContact CE1-CE1 3.81Å; F803-F807 HydrophobicContact CE1-CE1 3.81Å; F803-F807 HydrophobicContact CE1-CE2 4.29Å; F803-F807 AromaticContact CE1-CZ 3.82Å; F803-F807 HydrophobicContact CE1-CZ 3.82Å; S804-F807 WeakPolarHBondContact O-CB 3.48Å; S804-F807 PolarHBondContact O-N 2.87Å; S804-F807 PolarHBondContact OG-N 3.42Å; F807-V809 PolarHBondContact O-N 3.23Å; F807-S810 PolarHBondContact O-N 3.35Å; F807-Q811 HydrophobicContact CE2-CB 4.47Å; F807-Q811 HydrophobicContact CZ-CG 4.48Å; F807-Q811 VanDerWaalsContact O-CB 3.28Å; F807-Q811 WeakPolarHBondContact O-CB 3.38Å; F807-Q811 PolarHBondContact O-N 3.39Å; F807-D929 HydrophobicContact CD1-CB 4.3Å; F807-D929 HydrophobicContact CE1-CB 4.09Å
808	E	92.9	Very high	92.6	Very high	53 Å²	53	60 Å²	60	25%	0.248	30%	0.301	C	S	.	.	H	α-helix	trans	-58.3	-47.5	-178.9	173.9	171	168.4	0	0	112.1	Q806 Q811 L812 R834 R873	Q806-E808 VanDerWaalsContact C-N 3.35Å; Q806-E808 PolarHBondContact O-N 3.42Å; E808-Q811 PolarHBondContact O-N 3Å; E808-L812 HydrophobicContact CG-CD1 4.04Å; E808-L812 VanDerWaalsContact O-CG 3.23Å; E808-L812 WeakPolarHBondContact O-CG 3.46Å; E808-L812 PolarHBondContact O-N 3.33Å; E808-R834 IonicContact OE1-NH1 2.74Å; E808-R834 PolarHBondContact OE1-NH1 2.88Å; E808-R834 VanDerWaalsContact OE1-NH1 3.15Å; E808-R873 IonicContact OE1-NE 3.6Å; E808-R873 IonicContact OE2-CZ 3.82Å; E808-R873 IonicContact OE2-NE 3.58Å; E808-R873 PolarHBondContact OE2-NE 2.82Å; E808-R873 IonicContact OE2-NH2 3.41Å; E808-R873 PolarHBondContact OE2-NH2 2.84Å
809	V	95	Very high	92.9	Very high	13 Å²	13	54.7 Å²	54.7	8%	0.079	27%	0.273	C	S	.	.	H	α-helix	trans	-72.8	-37.7	-175.5	-177	0	0	0	0	110.8	M593 C595 Q806 F807 L812 Y813 P839 F840	M593-V809 HydrophobicContact CE-CG1 4.23Å; C595-V809 HydrophobicContact CB-CG2 3.96Å; Q806-V809 PolarHBondContact O-N 3.11Å; Q806-V809 VanDerWaalsContact O-N 3.07Å; F807-V809 PolarHBondContact O-N 3.23Å; V809-L812 PolarHBondContact O-N 3.25Å; V809-Y813 WeakPolarHBondContact O-CB 3.46Å; V809-Y813 PolarHBondContact O-N 3.22Å; V809-P839 HydrophobicContact CG1-CG 4.5Å; V809-F840 HydrophobicContact CG1-CE1 3.81Å; V809-F840 HydrophobicContact CG1-CZ 4.29Å
810	S	93.8	Very high	93.3	Very high	26 Å²	26	52.6 Å²	52.6	18%	0.182	26%	0.256	C	S	.	.	H	α-helix	trans	-61.4	-46.2	173	-61.3	0	0	0	0	111.7	Q806 F807 L812 Y813 E814	Q806-S810 PolarHBondContact O-N 2.81Å; Q806-S810 PolarHBondContact O-OG 2.66Å; F807-S810 PolarHBondContact O-N 3.35Å; S810-L812 VanDerWaalsContact C-N 3.31Å; S810-L812 PolarHBondContact O-N 2.78Å; S810-Y813 WeakPolarHBondContact O-CA 3.44Å; S810-Y813 WeakPolarHBondContact O-CB 3.32Å; S810-Y813 PolarHBondContact O-N 3.23Å; S810-E814 WeakPolarHBondContact O-CG 3.38Å; S810-E814 PolarHBondContact O-N 3.04Å
811	Q	94	Very high	93.7	Very high	20 Å²	20	49.1 Å²	49.1	9%	0.093	24%	0.243	C	C	.	.	H	α-helix	trans	-61.2	-40.9	177.8	-163.5	-169.3	42.6	0	0	111.8	F807 E808 Y813 E814 C815 P925 F926	F807-Q811 HydrophobicContact CE2-CB 4.47Å; F807-Q811 HydrophobicContact CZ-CG 4.48Å; F807-Q811 VanDerWaalsContact O-CB 3.28Å; F807-Q811 WeakPolarHBondContact O-CB 3.38Å; F807-Q811 PolarHBondContact O-N 3.39Å; E808-Q811 PolarHBondContact O-N 3Å; Q811-Y813 VanDerWaalsContact C-N 3.31Å; Q811-Y813 PolarHBondContact O-N 2.9Å; Q811-E814 PolarHBondContact O-N 3.25Å; Q811-C815 WeakPolarHBondContact O-CB 3.42Å; Q811-C815 PolarHBondContact O-N 3.01Å; Q811-P925 HydrophobicContact CB-CG 4.45Å; Q811-P925 VanDerWaalsContact CD-CB 3.48Å; Q811-P925 HydrophobicContact CG-CB 3.61Å; Q811-P925 HydrophobicContact CG-CG 3.76Å; Q811-F926 PolarHBondContact NE2-O 3Å
812	L	95.5	Very high	94	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-66.2	-32.4	174.5	-68.7	171.1	0	0	0	112.2	E808 V809 S810 C815 I818 L838 F840 K842 P925	E808-L812 HydrophobicContact CG-CD1 4.04Å; E808-L812 VanDerWaalsContact O-CG 3.23Å; E808-L812 WeakPolarHBondContact O-CG 3.46Å; E808-L812 PolarHBondContact O-N 3.33Å; V809-L812 PolarHBondContact O-N 3.25Å; S810-L812 VanDerWaalsContact C-N 3.31Å; S810-L812 PolarHBondContact O-N 2.78Å; L812-C815 PolarHBondContact O-SG 3.49Å; L812-I818 HydrophobicContact CD2-CD1 3.7Å; L812-I818 HydrophobicContact CD2-CG1 3.72Å; L812-I818 HydrophobicContact CD2-CG2 4.39Å; L812-L838 HydrophobicContact CD1-CD2 4.08Å; L812-F840 HydrophobicContact CB-CE2 4.2Å; L812-F840 HydrophobicContact CB-CZ 3.84Å; L812-F840 WeakPolarHBondContact O-CE2 3.42Å; L812-K842 WeakPolarHBondContact O-CE 3.42Å; L812-K842 WeakPolarHBondContact O-CG 3.38Å; L812-P925 HydrophobicContact CD2-CG 3.96Å
813	Y	93.5	Very high	94.4	Very high	36 Å²	36	38.8 Å²	38.8	14%	0.141	19%	0.192	C	C	.	.	H	α-helix	trans	-72.1	-36.9	176.9	179.9	-106.6	0	0	0	112.6	P590 M593 H763 V809 S810 Q811 F840 K842	P590-Y813 HydrophobicContact CG-CD2 3.79Å; P590-Y813 HydrophobicContact CG-CE2 3.42Å; P590-Y813 VanDerWaalsContact CG-CE2 3.42Å; M593-Y813 HydrophobicContact CE-CD1 4.44Å; M593-Y813 HydrophobicContact CE-CG 4.2Å; H763-Y813 AromaticContact CE1-CE2 3.96Å; V809-Y813 WeakPolarHBondContact O-CB 3.46Å; V809-Y813 PolarHBondContact O-N 3.22Å; S810-Y813 WeakPolarHBondContact O-CA 3.44Å; S810-Y813 WeakPolarHBondContact O-CB 3.32Å; S810-Y813 PolarHBondContact O-N 3.23Å; Q811-Y813 VanDerWaalsContact C-N 3.31Å; Q811-Y813 PolarHBondContact O-N 2.9Å; Y813-F840 VanDerWaalsContact CA-CZ 3.48Å; Y813-F840 HydrophobicContact CD2-CB 4.15Å; Y813-F840 AromaticContact CD2-CD1 3.55Å; Y813-F840 HydrophobicContact CD2-CD1 3.55Å; Y813-F840 HydrophobicContact CD2-CD2 4.23Å; Y813-F840 AromaticContact CD2-CE1 3.93Å; Y813-F840 HydrophobicContact CD2-CE1 3.93Å; Y813-F840 AromaticContact CD2-CG 3.72Å; Y813-F840 HydrophobicContact CD2-CG 3.72Å; Y813-F840 HydrophobicContact CD2-CZ 4.42Å; Y813-F840 HydrophobicContact CE2-CB 4.43Å; Y813-F840 HydrophobicContact CE2-CD1 4.45Å; Y813-F840 HydrophobicContact CE2-CG 4.46Å; Y813-F840 HydrophobicContact CG-CD1 4.28Å; Y813-F840 HydrophobicContact CG-CE1 4.22Å; Y813-F840 VanDerWaalsContact N-CZ 3.31Å; Y813-K842 WeakPolarHBondContact O-CE 3.4Å; Y813-K842 PolarHBondContact O-NZ 3.22Å
814	E	91.5	Very high	94.8	Very high	132 Å²	132	35.2 Å²	35.2	62%	0.617	18%	0.178	S	C	*	.	H	α-helix	trans	-80.5	-33.1	-177.9	-69.4	169.4	-173.4	0	0	112.8	N794 S810 Q811	N794-E814 PolarHBondContact ND2-O 3.06Å; N794-E814 VanDerWaalsContact ND2-O 3.13Å; S810-E814 WeakPolarHBondContact O-CG 3.38Å; S810-E814 PolarHBondContact O-N 3.04Å; Q811-E814 PolarHBondContact O-N 3.25Å
815	C	94.6	Very high	95.3	Very high	6 Å²	6	31.8 Å²	31.8	4%	0.041	15%	0.154	C	C	.	.	S	Bend	trans	-64.6	148	-179.2	75.4	0	0	0	0	111.9	N794 Q811 L812 W817 K842 P925	N794-C815 VanDerWaalsContact OD1-CA 3.29Å; N794-C815 WeakPolarHBondContact OD1-CA 3.29Å; Q811-C815 WeakPolarHBondContact O-CB 3.42Å; Q811-C815 PolarHBondContact O-N 3.01Å; L812-C815 PolarHBondContact O-SG 3.49Å; C815-W817 PolarHBondContact SG-O 2.96Å; C815-K842 WeakPolarHBondContact O-CD 3.18Å; C815-K842 WeakPolarHBondContact O-CE 3.33Å; C815-K842 PolarHBondContact O-NZ 3Å; C815-P925 HydrophobicContact CB-CB 4.12Å; C815-P925 HydrophobicContact CB-CG 4.23Å
816	N	95.9	Very high	95.9	Very high	18 Å²	18	22.2 Å²	22.2	10%	0.096	11%	0.11	C	C	.	.	S	Bend	trans	-70.7	-32.6	177.6	63.1	-45.1	0	0	0	113	S754 M792 S793 N794	S754-N816 WeakPolarHBondContact O-CB 3.4Å; S754-N816 PolarHBondContact O-ND2 3.2Å; S754-N816 PolarHBondContact OG-ND2 2.97Å; M792-N816 PolarHBondContact O-ND2 3.01Å; S793-N816 WeakPolarHBondContact CA-OD1 3.44Å; N794-N816 HydrophobicContact CB-CB 4.44Å; N794-N816 PolarHBondContact N-OD1 2.92Å; N794-N816 VanDerWaalsContact N-OD1 3.1Å; N794-N816 PolarHBondContact OD1-N 2.75Å; N794-N816 PolarHBondContact OD1-OD1 2.63Å; N794-N816 VanDerWaalsContact OD1-OD1 3.05Å
817	W	97.9	Very high	96.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.087	C	C	.	.			trans	-157.9	172.4	175.4	54.4	27.7	0	0	0	112	I749 I753 S754 F789 M792 S793 C815 P843	I749-W817 HydrophobicContact CG2-CH2 4.14Å; I749-W817 HydrophobicContact CG2-CZ3 4Å; I753-W817 HydrophobicContact CG2-CE3 4Å; I753-W817 HydrophobicContact CG2-CZ3 4.24Å; S754-W817 VanDerWaalsContact CB-CH2 3.47Å; S754-W817 WeakPolarHBondContact OG-CH2 3.43Å; F789-W817 HydrophobicContact CB-CZ2 4.25Å; F789-W817 AromaticContact CD1-CH2 3.89Å; F789-W817 HydrophobicContact CD1-CH2 3.89Å; F789-W817 HydrophobicContact CD1-CZ2 4.11Å; F789-W817 HydrophobicContact CD1-CZ3 4.24Å; F789-W817 WeakPolarHBondContact O-CZ2 3.17Å; F789-W817 PolarHBondContact O-NE1 2.91Å; M792-W817 HydrophobicContact CB-CH2 3.8Å; M792-W817 HydrophobicContact CB-CZ2 3.47Å; M792-W817 VanDerWaalsContact CB-CZ2 3.47Å; M792-W817 HydrophobicContact CE-CH2 3.7Å; M792-W817 HydrophobicContact SD-CH2 4.24Å; S793-W817 PolarHBondContact OG-NE1 2.85Å; C815-W817 PolarHBondContact SG-O 2.96Å; W817-P843 HydrophobicContact CB-CB 4.07Å; W817-P843 WeakPolarHBondContact CB-O 3.3Å
818	I	98.6	Very high	96.7	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.4	178.9	-53.9	165.2	0	0	0	108.6	L812 V820 L838 K842 P843 L844 I845 S924	L812-I818 HydrophobicContact CD2-CD1 3.7Å; L812-I818 HydrophobicContact CD2-CG1 3.72Å; L812-I818 HydrophobicContact CD2-CG2 4.39Å; I818-V820 HydrophobicContact CG2-CG1 3.99Å; I818-L838 HydrophobicContact CD1-CD1 4.3Å; I818-K842 HydrophobicContact CD1-CB 4.2Å; I818-K842 HydrophobicContact CG1-CB 4.37Å; I818-P843 PolarHBondContact N-O 3.28Å; I818-L844 HydrophobicContact CB-CD1 3.74Å; I818-L844 HydrophobicContact CG2-CD1 3.61Å; I818-I845 PolarHBondContact O-N 2.94Å; I818-S924 CarbonylContact C-O 3.39Å; I818-S924 WeakPolarHBondContact CA-O 3.46Å
819	V	98.9	Very high	97	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	120.3	176.7	-174.4	0	0	0	0	109.6	F789 L790 I845 I923 S924	F789-V819 HydrophobicContact CB-CG2 4.28Å; L790-V819 HydrophobicContact CD2-CB 4.22Å; L790-V819 HydrophobicContact CD2-CG1 4.21Å; L790-V819 HydrophobicContact CD2-CG2 4.35Å; V819-I845 WeakPolarHBondContact CA-O 3.23Å; V819-I845 HydrophobicContact CG1-CB 4.49Å; V819-I845 HydrophobicContact CG2-CB 4.22Å; V819-I845 HydrophobicContact CG2-CG1 4.3Å; V819-I923 PolarHBondContact O-N 2.93Å; V819-S924 PolarHBondContact N-O 2.82Å; V819-S924 PolarHBondContact O-N 2.8Å
820	V	98.9	Very high	97.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	149.2	-179.5	-56.6	0	0	0	0	112	I818 L844 I845 I846 L847 F871 E921 Q922	I818-V820 HydrophobicContact CG2-CG1 3.99Å; V820-L844 HydrophobicContact CG1-CD1 4.23Å; V820-L844 HydrophobicContact CG2-CD1 4.07Å; V820-I845 PolarHBondContact N-O 3.37Å; V820-I846 HydrophobicContact CG2-CB 4.1Å; V820-I846 HydrophobicContact CG2-CG1 3.75Å; V820-I846 HydrophobicContact CG2-CG2 4.02Å; V820-L847 PolarHBondContact O-N 3.15Å; V820-F871 HydrophobicContact CG1-CZ 3.93Å; V820-E921 CarbonylContact C-O 3.5Å; V820-E921 WeakPolarHBondContact CA-O 3.43Å; V820-E921 WeakPolarHBondContact CB-O 3.49Å; V820-Q922 HydrophobicContact CG1-CB 4.21Å; V820-Q922 HydrophobicContact CG1-CG 4.36Å
821	N	98.8	Very high	97.4	Very high	11 Å²	11	12.2 Å²	12.2	6%	0.059	6%	0.06	C	C	.	.			trans	-136.6	83	172.6	-174.7	7.5	0	0	0	108.5	L847 T895 G896 E921 I923 Y955	N821-L847 HydrophobicContact CB-CB 4.05Å; N821-L847 HydrophobicContact CB-CD1 3.93Å; N821-L847 HydrophobicContact CB-CG 4.36Å; N821-L847 PolarHBondContact OD1-O 2.6Å; N821-T895 WeakPolarHBondContact CB-OG1 3.48Å; N821-G896 WeakPolarHBondContact ND2-CA 3.43Å; N821-G896 PolarHBondContact ND2-N 2.85Å; N821-G896 WeakPolarHBondContact OD1-CA 3.39Å; N821-E921 PolarHBondContact N-O 2.91Å; N821-I923 HydrophobicContact CB-CD1 3.75Å; N821-Y955 PolarHBondContact ND2-OH 3.39Å
822	C	98.6	Very high	97.6	Very high	2 Å²	2	11.2 Å²	11.2	1%	0.014	6%	0.055	C	C	.	.			trans	-67.5	145.4	-173.4	-58.4	0	0	0	0	111	W644 N827 E921	W644-C822 HydrophobicContact CH2-CB 3.78Å; W644-C822 WeakPolarHBondContact CH2-O 3.37Å; W644-C822 HydrophobicContact CZ2-CB 4.18Å; C822-N827 HydrophobicContact CB-CB 4.45Å; C822-E921 WeakPolarHBondContact CA-OE2 3.22Å
823	S	98.3	Very high	97.8	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.056	C	C	.	.	S	Bend	trans	-105.9	-13.2	172.8	66.7	0	0	0	0	113.4	Y900 R919 E921	S823-Y900 PolarHBondContact O-OH 3.17Å; S823-R919 WeakPolarHBondContact OG-CD 3.34Å; S823-R919 PolarHBondContact OG-NH1 2.64Å; S823-R919 VanDerWaalsContact OG-NH1 3.12Å; S823-E921 WeakPolarHBondContact CB-OE1 3.46Å; S823-E921 VanDerWaalsContact N-CD 3.34Å; S823-E921 PolarHBondContact N-OE1 3.19Å; S823-E921 VanDerWaalsContact N-OE1 3.09Å; S823-E921 PolarHBondContact N-OE2 3.05Å; S823-E921 PolarHBondContact OG-OE1 2.89Å
824	T	98.7	Very high	98	Very high	17 Å²	17	10 Å²	10	10%	0.104	5%	0.05	C	C	.	.	S	Bend	trans	-126.6	150.4	179.8	74.8	0	0	0	0	112.8	A826 N827 Y828 I875	T824-A826 PolarHBondContact O-N 3.22Å; T824-N827 PolarHBondContact O-N 3.49Å; T824-N827 WeakPolarHBondContact OG1-CB 3.41Å; T824-N827 PolarHBondContact OG1-N 3.27Å; T824-Y828 PolarHBondContact O-N 2.99Å; T824-I875 HydrophobicContact CG2-CD1 4.47Å
825	P	98.8	Very high	98.2	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-59.4	-40	174.8	-27.1	36.6	0	0	0	114.4	V642 W644 A647 N827 Y828 F829 A858	V642-P825 HydrophobicContact CG2-CB 3.99Å; W644-P825 HydrophobicContact CE3-CG 4.23Å; A647-P825 HydrophobicContact CB-CB 3.7Å; A647-P825 WeakPolarHBondContact CB-O 3.45Å; P825-N827 VanDerWaalsContact C-N 3.34Å; P825-N827 PolarHBondContact O-N 3.05Å; P825-Y828 PolarHBondContact O-N 3.07Å; P825-F829 PolarHBondContact O-N 3Å; P825-A858 WeakPolarHBondContact CG-O 3.34Å
826	A	98.8	Very high	98.3	Very high	4 Å²	4	4.1 Å²	4.1	3%	0.033	2%	0.022	C	C	.	.	H	α-helix	trans	-62.6	-40	178.7	0	0	0	0	0	112.2	T824 Y828 F829 H830 S860 E864 M865	T824-A826 PolarHBondContact O-N 3.22Å; A826-Y828 VanDerWaalsContact C-N 3.34Å; A826-Y828 PolarHBondContact O-N 3.3Å; A826-F829 WeakPolarHBondContact O-CB 3.33Å; A826-F829 PolarHBondContact O-N 3.03Å; A826-H830 PolarHBondContact O-CD2 3.15Å; A826-H830 PolarHBondContact O-N 3.09Å; A826-S860 VanDerWaalsContact CB-OG 3.29Å; A826-S860 WeakPolarHBondContact CB-OG 3.27Å; A826-S860 PolarHBondContact N-OG 3.28Å; A826-S860 VanDerWaalsContact N-OG 3.1Å; A826-E864 HydrophobicContact CB-CB 3.66Å; A826-M865 HydrophobicContact CB-CG 3.62Å; A826-M865 HydrophobicContact CB-SD 4.1Å
827	N	98.6	Very high	98.3	Very high	4 Å²	4	5.4 Å²	5.4	2%	0.021	3%	0.029	C	C	.	.	H	α-helix	trans	-69.4	-34.3	179.2	-146.5	33.3	0	0	0	111.8	C822 T824 P825 H830 A831 F871 Q872 E921	C822-N827 HydrophobicContact CB-CB 4.45Å; T824-N827 PolarHBondContact O-N 3.49Å; T824-N827 WeakPolarHBondContact OG1-CB 3.41Å; T824-N827 PolarHBondContact OG1-N 3.27Å; P825-N827 VanDerWaalsContact C-N 3.34Å; P825-N827 PolarHBondContact O-N 3.05Å; N827-H830 PolarHBondContact O-N 2.99Å; N827-A831 WeakPolarHBondContact O-CB 3.44Å; N827-A831 PolarHBondContact O-N 3.12Å; N827-F871 HydrophobicContact CB-CE2 4.45Å; N827-F871 VanDerWaalsContact CG-CE2 3.43Å; N827-F871 VanDerWaalsContact ND2-CE2 3.27Å; N827-F871 WeakPolarHBondContact ND2-CE2 3.39Å; N827-F871 WeakPolarHBondContact O-CD2 3.42Å; N827-F871 WeakPolarHBondContact OD1-CD2 3.07Å; N827-F871 WeakPolarHBondContact OD1-CE2 3.38Å; N827-Q872 PolarHBondContact ND2-O 3.04Å; N827-Q872 PolarHBondContact OD1-N 2.92Å; N827-E921 VanDerWaalsContact ND2-CB 3.25Å; N827-E921 WeakPolarHBondContact ND2-CB 2.95Å; N827-E921 VanDerWaalsContact ND2-CG 3.25Å; N827-E921 WeakPolarHBondContact ND2-CG 3.45Å; N827-E921 PolarHBondContact ND2-OE2 2.82Å
828	Y	98.9	Very high	98.2	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-62.5	-44.4	170.1	177.6	-124	0	0	0	112.4	W644 E648 L769 T824 P825 A826 H830 A831 L832 I846 T848	W644-Y828 AromaticContact CD1-CD1 3.58Å; W644-Y828 AromaticContact CD1-CE1 3.64Å; W644-Y828 HydrophobicContact CD2-CD1 4.46Å; W644-Y828 AromaticContact CE2-CD1 3.72Å; W644-Y828 AromaticContact CE2-CG 3.73Å; W644-Y828 HydrophobicContact CG-CD1 4.39Å; W644-Y828 HydrophobicContact CZ2-CD1 4.27Å; W644-Y828 HydrophobicContact CZ2-CD2 4.18Å; W644-Y828 AromaticContact CZ2-CG 3.8Å; W644-Y828 HydrophobicContact CZ2-CG 3.8Å; W644-Y828 AromaticContact NE1-CD1 3.09Å; W644-Y828 AromaticContact NE1-CE1 3.27Å; W644-Y828 VanDerWaalsContact NE1-CE1 3.27Å; W644-Y828 AromaticContact NE1-CG 3.49Å; W644-Y828 AromaticContact NE1-CZ 3.86Å; E648-Y828 HydrophobicContact CB-CD1 4.49Å; E648-Y828 HydrophobicContact CB-CE1 3.73Å; E648-Y828 HydrophobicContact CG-CE1 3.77Å; E648-Y828 PolarHBondContact OE2-OH 3.12Å; L769-Y828 HydrophobicContact CD2-CE2 4.19Å; T824-Y828 PolarHBondContact O-N 2.99Å; P825-Y828 PolarHBondContact O-N 3.07Å; A826-Y828 VanDerWaalsContact C-N 3.34Å; A826-Y828 PolarHBondContact O-N 3.3Å; Y828-H830 VanDerWaalsContact C-N 3.32Å; Y828-H830 PolarHBondContact O-N 2.74Å; Y828-A831 PolarHBondContact O-N 3.28Å; Y828-L832 HydrophobicContact CD1-CD1 4.31Å; Y828-L832 HydrophobicContact CD2-CD1 4.37Å; Y828-L832 HydrophobicContact CD2-CG 4.37Å; Y828-L832 HydrophobicContact CE1-CD1 3.87Å; Y828-L832 HydrophobicContact CE2-CD1 3.9Å; Y828-L832 HydrophobicContact CE2-CD2 4.22Å; Y828-L832 HydrophobicContact CE2-CG 4.01Å; Y828-L832 WeakPolarHBondContact O-CG 3.3Å; Y828-L832 PolarHBondContact O-N 3.38Å; Y828-L832 VanDerWaalsContact O-N 3.15Å; Y828-I846 HydrophobicContact CD2-CD1 4.17Å; Y828-I846 HydrophobicContact CD2-CG2 4.1Å; Y828-I846 HydrophobicContact CE2-CD1 3.78Å; Y828-I846 HydrophobicContact CE2-CG2 4.04Å; Y828-T848 HydrophobicContact CE2-CG2 4.39Å
829	F	98.9	Very high	98	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-55.5	-47	173.3	165.7	-90.5	0	0	0	111.8	I600 L605 A647 M650 A651 P825 A826 L832 R833 M865	I600-F829 HydrophobicContact CD1-CE2 4.3Å; I600-F829 HydrophobicContact CD1-CZ 4.05Å; I600-F829 HydrophobicContact CG1-CZ 4.01Å; I600-F829 HydrophobicContact CG2-CZ 4.23Å; L605-F829 HydrophobicContact CD2-CE2 4.36Å; L605-F829 HydrophobicContact CD2-CZ 4.44Å; A647-F829 HydrophobicContact CB-CB 4.32Å; M650-F829 HydrophobicContact CB-CD2 4.23Å; M650-F829 HydrophobicContact CB-CE2 4.09Å; A651-F829 HydrophobicContact CB-CD2 3.56Å; A651-F829 HydrophobicContact CB-CE2 4.11Å; A651-F829 HydrophobicContact CB-CG 4.31Å; P825-F829 PolarHBondContact O-N 3Å; A826-F829 WeakPolarHBondContact O-CB 3.33Å; A826-F829 PolarHBondContact O-N 3.03Å; F829-L832 PolarHBondContact O-N 3.23Å; F829-R833 HydrophobicContact CZ-CG 4.44Å; F829-R833 PolarHBondContact O-N 3.36Å; F829-M865 HydrophobicContact CB-CE 3.95Å; F829-M865 HydrophobicContact CB-SD 4.46Å; F829-M865 HydrophobicContact CD1-CB 4.24Å; F829-M865 HydrophobicContact CD1-CE 3.88Å; F829-M865 HydrophobicContact CD1-CG 4.01Å; F829-M865 HydrophobicContact CD2-CE 3.41Å; F829-M865 VanDerWaalsContact CD2-CE 3.41Å; F829-M865 HydrophobicContact CE1-CB 4.11Å; F829-M865 HydrophobicContact CE1-CE 4.18Å; F829-M865 HydrophobicContact CE1-CG 4.39Å; F829-M865 HydrophobicContact CE2-CE 3.75Å; F829-M865 HydrophobicContact CG-CE 3.49Å; F829-M865 VanDerWaalsContact CG-CE 3.49Å; F829-M865 HydrophobicContact CG-CG 4.41Å; F829-M865 HydrophobicContact CG-SD 4.43Å; F829-M865 HydrophobicContact CZ-CE 4.12Å
830	H	98.9	Very high	97.8	Very high	3 Å²	3	6.5 Å²	6.5	1%	0.014	4%	0.036	C	C	.	.	H	α-helix	trans	-68.8	-37.1	179.4	-71.9	-56.2	0	0	0	113.5	T598 A826 N827 Y828 L832 R833 R834 E864 T869 T870 F871	T598-H830 PolarHBondContact OG1-ND1 3.25Å; A826-H830 PolarHBondContact O-CD2 3.15Å; A826-H830 PolarHBondContact O-N 3.09Å; N827-H830 PolarHBondContact O-N 2.99Å; Y828-H830 VanDerWaalsContact C-N 3.32Å; Y828-H830 PolarHBondContact O-N 2.74Å; H830-L832 VanDerWaalsContact C-N 3.34Å; H830-L832 PolarHBondContact O-N 3.32Å; H830-R833 PolarHBondContact O-N 3.14Å; H830-R834 VanDerWaalsContact O-CB 3.25Å; H830-R834 WeakPolarHBondContact O-CB 3.46Å; H830-R834 PolarHBondContact O-N 2.87Å; H830-E864 PolarHBondContact NE2-O 3.13Å; H830-T869 PolarHBondContact CE1-OG1 3.16Å; H830-T869 PolarHBondContact NE2-OG1 3.25Å; H830-T870 PolarHBondContact CD2-O 3.15Å; H830-F871 HydrophobicContact CB-CB 3.74Å; H830-F871 HydrophobicContact CB-CD2 4.26Å
831	A	98.7	Very high	97.7	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.008	4%	0.036	C	C	.	.	H	α-helix	trans	-59.6	-45.8	176.3	0	0	0	0	0	111.3	N827 Y828 Q835 F871	N827-A831 WeakPolarHBondContact O-CB 3.44Å; N827-A831 PolarHBondContact O-N 3.12Å; Y828-A831 PolarHBondContact O-N 3.28Å; A831-Q835 PolarHBondContact O-N 3.16Å; A831-F871 HydrophobicContact CB-CD2 3.88Å; A831-F871 HydrophobicContact CB-CE2 3.83Å
832	L	98.7	Very high	97.6	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-63.1	-43.4	175.7	-68.2	171.3	0	0	0	111.8	E648 A651 F652 F655 V767 Y828 F829 H830 Q835 I846	E648-L832 HydrophobicContact CG-CD1 4.38Å; A651-L832 HydrophobicContact CB-CB 4.13Å; A651-L832 HydrophobicContact CB-CD1 3.91Å; F652-L832 HydrophobicContact CD1-CD1 4.37Å; F652-L832 HydrophobicContact CE1-CD1 3.76Å; F652-L832 HydrophobicContact CE1-CD2 4.28Å; F655-L832 WeakPolarHBondContact CZ-O 3.31Å; V767-L832 HydrophobicContact CG1-CD2 4.31Å; Y828-L832 HydrophobicContact CD1-CD1 4.31Å; Y828-L832 HydrophobicContact CD2-CD1 4.37Å; Y828-L832 HydrophobicContact CD2-CG 4.37Å; Y828-L832 HydrophobicContact CE1-CD1 3.87Å; Y828-L832 HydrophobicContact CE2-CD1 3.9Å; Y828-L832 HydrophobicContact CE2-CD2 4.22Å; Y828-L832 HydrophobicContact CE2-CG 4.01Å; Y828-L832 WeakPolarHBondContact O-CG 3.3Å; Y828-L832 PolarHBondContact O-N 3.38Å; Y828-L832 VanDerWaalsContact O-N 3.15Å; F829-L832 PolarHBondContact O-N 3.23Å; H830-L832 VanDerWaalsContact C-N 3.34Å; H830-L832 PolarHBondContact O-N 3.32Å; L832-Q835 VanDerWaalsContact O-CB 3.31Å; L832-Q835 WeakPolarHBondContact O-CB 3.5Å; L832-Q835 PolarHBondContact O-N 2.97Å; L832-I846 HydrophobicContact CD2-CD1 3.99Å
833	R	98.6	Very high	97.6	Very high	8 Å²	8	6.5 Å²	6.5	3%	0.03	4%	0.035	C	C	.	.	H	α-helix	trans	-67.7	-40.8	179.4	-75.2	-173.8	59.1	74.1	2.9	113.4	T598 I600 A651 S654 F655 E658 F829 H830 Q835 I836 L837	T598-R833 HydrophobicContact CG2-CB 4.4Å; T598-R833 WeakPolarHBondContact O-CD 3.37Å; T598-R833 PolarHBondContact O-NE 2.94Å; I600-R833 VanDerWaalsContact CG2-NH2 3.29Å; A651-R833 HydrophobicContact CB-CG 4.37Å; S654-R833 PolarHBondContact OG-NH1 3.11Å; F655-R833 HydrophobicContact CE1-CG 4.22Å; F655-R833 HydrophobicContact CE2-CG 4.4Å; F655-R833 HydrophobicContact CZ-CB 4.3Å; F655-R833 HydrophobicContact CZ-CG 3.98Å; E658-R833 IonicContact OE1-CZ 3.56Å; E658-R833 IonicContact OE1-NH1 3.55Å; E658-R833 PolarHBondContact OE1-NH1 2.89Å; E658-R833 IonicContact OE1-NH2 3.79Å; E658-R833 PolarHBondContact OE1-NH2 3.45Å; E658-R833 IonicContact OE2-NH1 3.03Å; F829-R833 HydrophobicContact CZ-CG 4.44Å; F829-R833 PolarHBondContact O-N 3.36Å; H830-R833 PolarHBondContact O-N 3.14Å; R833-Q835 PolarHBondContact O-N 3.05Å; R833-I836 PolarHBondContact O-N 2.78Å; R833-L837 WeakPolarHBondContact O-CG 3.12Å; R833-L837 PolarHBondContact O-N 3.19Å
834	R	98.1	Very high	97.6	Very high	4 Å²	4	6.6 Å²	6.6	2%	0.015	4%	0.036	C	C	.	.	H	α-helix	trans	-57	-39	176.1	-171.2	171	64.7	162.5	2.8	111.4	T598 E808 H830 I836 L837 L838 F871	T598-R834 HydrophobicContact CG2-CB 4.03Å; E808-R834 IonicContact OE1-NH1 2.74Å; E808-R834 PolarHBondContact OE1-NH1 2.88Å; E808-R834 VanDerWaalsContact OE1-NH1 3.15Å; H830-R834 VanDerWaalsContact O-CB 3.25Å; H830-R834 WeakPolarHBondContact O-CB 3.46Å; H830-R834 PolarHBondContact O-N 2.87Å; R834-I836 PolarHBondContact O-N 2.85Å; R834-I836 VanDerWaalsContact O-N 3.15Å; R834-L837 PolarHBondContact O-N 3.08Å; R834-L838 HydrophobicContact CG-CD1 4.38Å; R834-L838 HydrophobicContact CG-CG 4.22Å; R834-L838 VanDerWaalsContact O-CG 3.28Å; R834-L838 WeakPolarHBondContact O-CG 3.33Å; R834-L838 PolarHBondContact O-N 2.89Å; R834-F871 VanDerWaalsContact CZ-CD1 3.41Å; R834-F871 VanDerWaalsContact NH1-CD1 3.27Å
835	Q	96.5	Very high	97.6	Very high	2 Å²	2	5.8 Å²	5.8	1%	0.009	3%	0.031	C	C	.	.	H	α-helix	trans	-52.3	-38.5	179.9	-176.5	60.1	11.2	0	0	114	L731 G765 V767 A831 L832 R833 K842 L844	L731-Q835 HydrophobicContact CD1-CB 4.23Å; L731-Q835 HydrophobicContact CD1-CG 4Å; G765-Q835 VanDerWaalsContact C-NE2 3.28Å; G765-Q835 VanDerWaalsContact CA-NE2 3.31Å; G765-Q835 PolarHBondContact O-NE2 3.33Å; V767-Q835 HydrophobicContact CG2-CG 3.93Å; A831-Q835 PolarHBondContact O-N 3.16Å; L832-Q835 VanDerWaalsContact O-CB 3.31Å; L832-Q835 WeakPolarHBondContact O-CB 3.5Å; L832-Q835 PolarHBondContact O-N 2.97Å; R833-Q835 PolarHBondContact O-N 3.05Å; Q835-K842 PolarHBondContact NE2-O 3.41Å; Q835-K842 PolarHBondContact OE1-O 3.47Å; Q835-L844 HydrophobicContact CB-CD2 4.21Å
836	I	96.3	Very high	97.6	Very high	11 Å²	11	5.8 Å²	5.8	6%	0.056	3%	0.031	C	C	.	.	H	α-helix	trans	-90.8	-34	-179.3	-58.8	-61.2	0	0	0	112.3	F655 I660 A730 L731 R833 R834 L838 R841	F655-I836 HydrophobicContact CD1-CG1 4.47Å; F655-I836 HydrophobicContact CE1-CB 3.62Å; F655-I836 HydrophobicContact CE1-CG1 3.72Å; F655-I836 HydrophobicContact CE1-CG2 4.13Å; F655-I836 HydrophobicContact CE2-CG1 4.04Å; F655-I836 HydrophobicContact CZ-CB 3.71Å; F655-I836 HydrophobicContact CZ-CG1 3.39Å; I660-I836 HydrophobicContact CD1-CG2 3.49Å; I660-I836 VanDerWaalsContact CD1-CG2 3.49Å; I660-I836 HydrophobicContact CG1-CG2 4.09Å; I660-I836 HydrophobicContact CG2-CD1 4.47Å; I660-I836 HydrophobicContact CG2-CG1 4.38Å; I660-I836 HydrophobicContact CG2-CG2 4.21Å; A730-I836 WeakPolarHBondContact O-CD1 3.46Å; L731-I836 HydrophobicContact CB-CD1 3.99Å; L731-I836 HydrophobicContact CB-CG1 4.21Å; L731-I836 HydrophobicContact CD1-CD1 4.07Å; L731-I836 HydrophobicContact CD1-CG1 4.03Å; R833-I836 PolarHBondContact O-N 2.78Å; R834-I836 PolarHBondContact O-N 2.85Å; R834-I836 VanDerWaalsContact O-N 3.15Å; I836-L838 VanDerWaalsContact C-N 3.28Å; I836-L838 PolarHBondContact O-N 2.74Å; I836-R841 PolarHBondContact O-NH1 3.42Å; I836-R841 PolarHBondContact O-NH2 3.39Å
837	L	95.9	Very high	97.6	Very high	46 Å²	46	5.6 Å²	5.6	24%	0.241	3%	0.03	C	C	.	.	H	α-helix	trans	-75.7	-14.6	-178.2	-68.9	172.4	0	0	0	113.6	P596 T598 R833 R834	P596-L837 HydrophobicContact CG-CB 4.19Å; P596-L837 HydrophobicContact CG-CD2 4.22Å; T598-L837 HydrophobicContact CG2-CD1 3.75Å; R833-L837 WeakPolarHBondContact O-CG 3.12Å; R833-L837 PolarHBondContact O-N 3.19Å; R834-L837 PolarHBondContact O-N 3.08Å
838	L	96.1	Very high	97.6	Very high	4 Å²	4	5.7 Å²	5.7	2%	0.021	3%	0.03	C	C	.	.	S	Bend	trans	-60.4	144.7	169.1	-76.3	167	0	0	0	111.1	C595 L812 I818 R834 I836 F840 R841	C595-L838 HydrophobicContact CB-CD2 4.23Å; L812-L838 HydrophobicContact CD1-CD2 4.08Å; I818-L838 HydrophobicContact CD1-CD1 4.3Å; R834-L838 HydrophobicContact CG-CD1 4.38Å; R834-L838 HydrophobicContact CG-CG 4.22Å; R834-L838 VanDerWaalsContact O-CG 3.28Å; R834-L838 WeakPolarHBondContact O-CG 3.33Å; R834-L838 PolarHBondContact O-N 2.89Å; I836-L838 VanDerWaalsContact C-N 3.28Å; I836-L838 PolarHBondContact O-N 2.74Å; L838-F840 WeakPolarHBondContact CB-O 3.48Å; L838-F840 HydrophobicContact CD1-CE2 4.18Å; L838-F840 HydrophobicContact CD2-CE1 4.32Å; L838-F840 HydrophobicContact CD2-CE2 4.3Å; L838-F840 HydrophobicContact CD2-CZ 3.86Å; L838-F840 PolarHBondContact O-N 3.48Å; L838-R841 PolarHBondContact O-NH1 3.3Å
839	P	94.4	Very high	97.6	Very high	19 Å²	19	6.2 Å²	6.2	12%	0.123	3%	0.033	C	C	.	.	S	Bend	trans	-78.6	5.6	178.6	31.7	-32.7	0	0	0	113.1	F583 P590 S592 V809	F583-P839 WeakPolarHBondContact CE1-O 3.5Å; P590-P839 HydrophobicContact CB-CB 4.21Å; P590-P839 HydrophobicContact CB-CG 4.39Å; S592-P839 WeakPolarHBondContact O-CB 3.4Å; S592-P839 WeakPolarHBondContact O-CG 3.11Å; V809-P839 HydrophobicContact CG1-CG 4.5Å
840	F	94.9	Very high	97.5	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.035	C	C	.	.	S	Bend	trans	-143.9	176.9	176.1	52.3	-96.6	0	0	0	109.3	F584 P590 V809 L812 Y813 L838 K842	F584-F840 HydrophobicContact CE1-CB 4.3Å; P590-F840 HydrophobicContact CG-CB 4.27Å; P590-F840 HydrophobicContact CG-CD1 4.05Å; V809-F840 HydrophobicContact CG1-CE1 3.81Å; V809-F840 HydrophobicContact CG1-CZ 4.29Å; L812-F840 HydrophobicContact CB-CE2 4.2Å; L812-F840 HydrophobicContact CB-CZ 3.84Å; L812-F840 WeakPolarHBondContact O-CE2 3.42Å; Y813-F840 VanDerWaalsContact CA-CZ 3.48Å; Y813-F840 HydrophobicContact CD2-CB 4.15Å; Y813-F840 AromaticContact CD2-CD1 3.55Å; Y813-F840 HydrophobicContact CD2-CD1 3.55Å; Y813-F840 HydrophobicContact CD2-CD2 4.23Å; Y813-F840 AromaticContact CD2-CE1 3.93Å; Y813-F840 HydrophobicContact CD2-CE1 3.93Å; Y813-F840 AromaticContact CD2-CG 3.72Å; Y813-F840 HydrophobicContact CD2-CG 3.72Å; Y813-F840 HydrophobicContact CD2-CZ 4.42Å; Y813-F840 HydrophobicContact CE2-CB 4.43Å; Y813-F840 HydrophobicContact CE2-CD1 4.45Å; Y813-F840 HydrophobicContact CE2-CG 4.46Å; Y813-F840 HydrophobicContact CG-CD1 4.28Å; Y813-F840 HydrophobicContact CG-CE1 4.22Å; Y813-F840 VanDerWaalsContact N-CZ 3.31Å; L838-F840 WeakPolarHBondContact CB-O 3.48Å; L838-F840 HydrophobicContact CD1-CE2 4.18Å; L838-F840 HydrophobicContact CD2-CE1 4.32Å; L838-F840 HydrophobicContact CD2-CE2 4.3Å; L838-F840 HydrophobicContact CD2-CZ 3.86Å; L838-F840 PolarHBondContact O-N 3.48Å; F840-K842 HydrophobicContact CD2-CG 3.87Å; F840-K842 HydrophobicContact CE2-CG 3.81Å
841	R	95.7	Very high	97.4	Very high	4 Å²	4	8.9 Å²	8.9	2%	0.015	5%	0.051	C	C	.	.			trans	-121.4	134.6	174.5	-62.5	-67.4	173.2	-96	1.8	111	W580 P728 H763 N764 I836 L838	W580-R841 HydrophobicContact CH2-CB 3.83Å; W580-R841 HydrophobicContact CH2-CG 3.66Å; W580-R841 HydrophobicContact CZ3-CB 3.93Å; W580-R841 HydrophobicContact CZ3-CG 3.67Å; P728-R841 PolarHBondContact O-NE 2.98Å; P728-R841 PolarHBondContact O-NH2 3.02Å; H763-R841 HydrophobicContact CB-CB 4.32Å; H763-R841 PolarHBondContact ND1-O 3.02Å; H763-R841 VanDerWaalsContact ND1-O 3.16Å; N764-R841 CarbonylContact O-C 3.55Å; I836-R841 PolarHBondContact O-NH1 3.42Å; I836-R841 PolarHBondContact O-NH2 3.39Å; L838-R841 PolarHBondContact O-NH1 3.3Å
842	K	96.7	Very high	97.4	Very high	3 Å²	3	9.1 Å²	9.1	1%	0.013	5%	0.052	C	C	.	.			trans	-132.7	144.7	173.1	-69.4	-67.4	-176.7	168	0	109.1	Q757 N764 L812 Y813 C815 I818 Q835 F840 L844	Q757-K842 VanDerWaalsContact CD-NZ 3.26Å; Q757-K842 VanDerWaalsContact OE1-CE 3.27Å; N764-K842 CarbonylContact O-C 3.52Å; N764-K842 VanDerWaalsContact O-CA 3.3Å; N764-K842 WeakPolarHBondContact O-CA 3.39Å; N764-K842 PolarHBondContact O-N 2.83Å; L812-K842 WeakPolarHBondContact O-CE 3.42Å; L812-K842 WeakPolarHBondContact O-CG 3.38Å; Y813-K842 WeakPolarHBondContact O-CE 3.4Å; Y813-K842 PolarHBondContact O-NZ 3.22Å; C815-K842 WeakPolarHBondContact O-CD 3.18Å; C815-K842 WeakPolarHBondContact O-CE 3.33Å; C815-K842 PolarHBondContact O-NZ 3Å; I818-K842 HydrophobicContact CD1-CB 4.2Å; I818-K842 HydrophobicContact CG1-CB 4.37Å; Q835-K842 PolarHBondContact NE2-O 3.41Å; Q835-K842 PolarHBondContact OE1-O 3.47Å; F840-K842 HydrophobicContact CD2-CG 3.87Å; F840-K842 HydrophobicContact CE2-CG 3.81Å; K842-L844 PolarHBondContact O-N 3.04Å
843	P	98.6	Very high	97.3	Very high	6 Å²	6	9.5 Å²	9.5	4%	0.039	5%	0.054	C	C	.	.			trans	-58.1	140.7	170.3	-24.2	34.9	0	0	0	111.4	I753 N764 I766 W817 I818	I753-P843 HydrophobicContact CG2-CB 3.49Å; I753-P843 VanDerWaalsContact CG2-CB 3.49Å; I753-P843 HydrophobicContact CG2-CG 3.67Å; N764-P843 WeakPolarHBondContact O-CD 3.23Å; N764-P843 VanDerWaalsContact O-N 3.16Å; I766-P843 HydrophobicContact CG2-CB 4.13Å; I766-P843 HydrophobicContact CG2-CG 4.46Å; I766-P843 WeakPolarHBondContact O-CA 3.31Å; W817-P843 HydrophobicContact CB-CB 4.07Å; W817-P843 WeakPolarHBondContact CB-O 3.3Å; I818-P843 PolarHBondContact N-O 3.28Å
844	L	98.9	Very high	97.2	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.01	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	117.1	178.4	175.9	62.1	0	0	0	109.8	I766 V767 L768 I818 V820 Q835 K842 I846	I766-L844 PolarHBondContact O-N 3.31Å; V767-L844 CarbonylContact C-O 3.57Å; V767-L844 VanDerWaalsContact CA-O 3.32Å; V767-L844 WeakPolarHBondContact CA-O 3.35Å; V767-L844 HydrophobicContact CG1-CB 4.43Å; V767-L844 HydrophobicContact CG1-CD2 4.27Å; V767-L844 HydrophobicContact CG1-CG 4.35Å; V767-L844 HydrophobicContact CG2-CB 4.27Å; V767-L844 HydrophobicContact CG2-CD2 4.37Å; L768-L844 PolarHBondContact N-O 3.46Å; I818-L844 HydrophobicContact CB-CD1 3.74Å; I818-L844 HydrophobicContact CG2-CD1 3.61Å; V820-L844 HydrophobicContact CG1-CD1 4.23Å; V820-L844 HydrophobicContact CG2-CD1 4.07Å; Q835-L844 HydrophobicContact CB-CD2 4.21Å; K842-L844 PolarHBondContact O-N 3.04Å; L844-I846 HydrophobicContact CD1-CG1 4.32Å; L844-I846 HydrophobicContact CD2-CD1 3.84Å; L844-I846 HydrophobicContact CD2-CG1 4.1Å; L844-I846 HydrophobicContact CG-CD1 4.11Å; L844-I846 HydrophobicContact CG-CG1 3.79Å
845	I	98.9	Very high	97.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	114.2	177.4	-45.8	-55.9	0	0	0	108.3	L768 L770 F789 I818 V819 V820	L768-I845 HydrophobicContact CB-CD1 3.88Å; L768-I845 HydrophobicContact CD1-CD1 4.17Å; L768-I845 HydrophobicContact CD2-CD1 3.8Å; L768-I845 HydrophobicContact CG-CD1 4.15Å; L770-I845 HydrophobicContact CD1-CG2 3.78Å; F789-I845 HydrophobicContact CD1-CD1 4.21Å; F789-I845 HydrophobicContact CD1-CG1 3.95Å; F789-I845 HydrophobicContact CD1-CG2 4.09Å; F789-I845 HydrophobicContact CD2-CG2 4.26Å; F789-I845 HydrophobicContact CE1-CD1 3.9Å; F789-I845 HydrophobicContact CE1-CG1 4.11Å; F789-I845 HydrophobicContact CE1-CG2 4.03Å; F789-I845 HydrophobicContact CE2-CG2 4.21Å; F789-I845 HydrophobicContact CG-CG2 4.19Å; F789-I845 HydrophobicContact CZ-CG2 4.07Å; I818-I845 PolarHBondContact O-N 2.94Å; V819-I845 WeakPolarHBondContact CA-O 3.23Å; V819-I845 HydrophobicContact CG1-CB 4.49Å; V819-I845 HydrophobicContact CG2-CB 4.22Å; V819-I845 HydrophobicContact CG2-CG1 4.3Å; V820-I845 PolarHBondContact N-O 3.37Å
846	I	98.9	Very high	97.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	116.8	179.3	-49	-173.4	0	0	0	108.7	V767 L768 L769 L770 V820 Y828 L832 L844 T848	V767-I846 HydrophobicContact CG1-CD1 3.75Å; V767-I846 HydrophobicContact CG1-CG1 4.07Å; L768-I846 PolarHBondContact O-N 3.29Å; L769-I846 HydrophobicContact CD2-CB 4.11Å; L769-I846 HydrophobicContact CD2-CD1 3.87Å; L769-I846 HydrophobicContact CD2-CG1 4.29Å; L770-I846 PolarHBondContact N-O 3.16Å; V820-I846 HydrophobicContact CG2-CB 4.1Å; V820-I846 HydrophobicContact CG2-CG1 3.75Å; V820-I846 HydrophobicContact CG2-CG2 4.02Å; Y828-I846 HydrophobicContact CD2-CD1 4.17Å; Y828-I846 HydrophobicContact CD2-CG2 4.1Å; Y828-I846 HydrophobicContact CE2-CD1 3.78Å; Y828-I846 HydrophobicContact CE2-CG2 4.04Å; L832-I846 HydrophobicContact CD2-CD1 3.99Å; L844-I846 HydrophobicContact CD1-CG1 4.32Å; L844-I846 HydrophobicContact CD2-CD1 3.84Å; L844-I846 HydrophobicContact CD2-CG1 4.1Å; L844-I846 HydrophobicContact CG-CD1 4.11Å; L844-I846 HydrophobicContact CG-CG1 3.79Å; I846-T848 VanDerWaalsContact C-N 3.34Å; I846-T848 HydrophobicContact CB-CG2 4.13Å; I846-T848 HydrophobicContact CG2-CG2 3.67Å; I846-T848 PolarHBondContact O-N 3Å
847	L	98.9	Very high	97.1	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	90	168.5	-53.3	-178.7	0	0	0	108	L770 H772 A784 P786 V820 N821 Y955	L770-L847 HydrophobicContact CB-CD2 4.46Å; L770-L847 CarbonylContact O-C 3.49Å; L770-L847 WeakPolarHBondContact O-CA 3.38Å; H772-L847 HydrophobicContact CB-CB 4.04Å; A784-L847 HydrophobicContact CB-CD2 3.68Å; P786-L847 HydrophobicContact CB-CD1 3.59Å; P786-L847 HydrophobicContact CB-CD2 4.31Å; P786-L847 HydrophobicContact CG-CD1 4.1Å; V820-L847 PolarHBondContact O-N 3.15Å; N821-L847 HydrophobicContact CB-CB 4.05Å; N821-L847 HydrophobicContact CB-CD1 3.93Å; N821-L847 HydrophobicContact CB-CG 4.36Å; N821-L847 PolarHBondContact OD1-O 2.6Å; L847-Y955 HydrophobicContact CD1-CE1 3.78Å; L847-Y955 WeakPolarHBondContact CD1-OH 3.44Å
848	T	98.7	Very high	97.1	Very high	6 Å²	6	27.1 Å²	27.1	4%	0.037	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	153.6	-174.2	53.8	0	0	0	0	111	L769 L770 P771 H772 Y828 I846	L769-T848 HydrophobicContact CB-CG2 3.93Å; L769-T848 HydrophobicContact CD2-CG2 3.87Å; L769-T848 HydrophobicContact CG-CG2 4.46Å; L770-T848 VanDerWaalsContact C-OG1 3.22Å; L770-T848 PolarHBondContact N-OG1 3.45Å; L770-T848 PolarHBondContact O-N 3.33Å; P771-T848 CarbonylContact C-O 3.37Å; P771-T848 VanDerWaalsContact CA-O 3.27Å; P771-T848 WeakPolarHBondContact CA-O 3.41Å; P771-T848 WeakPolarHBondContact CA-OG1 3.45Å; P771-T848 VanDerWaalsContact N-OG1 3.13Å; H772-T848 PolarHBondContact N-O 3.25Å; Y828-T848 HydrophobicContact CE2-CG2 4.39Å; I846-T848 VanDerWaalsContact C-N 3.34Å; I846-T848 HydrophobicContact CB-CG2 4.13Å; I846-T848 HydrophobicContact CG2-CG2 3.67Å; I846-T848 PolarHBondContact O-N 3Å
849	P	98	Very high	97.2	Very high	10 Å²	10	31.7 Å²	31.7	7%	0.065	16%	0.158	C	C	.	.			trans	-84.2	166.7	-175.3	32.9	-37	0	0	0	113.4	W644 L852 L853	W644-P849 HydrophobicContact CD2-CG 3.43Å; W644-P849 VanDerWaalsContact CD2-CG 3.43Å; W644-P849 HydrophobicContact CE3-CG 3.67Å; W644-P849 HydrophobicContact CG-CG 3.99Å; W644-P849 HydrophobicContact CH2-CG 3.84Å; W644-P849 HydrophobicContact CZ2-CG 3.64Å; W644-P849 HydrophobicContact CZ3-CG 3.86Å; P849-L852 HydrophobicContact CB-CB 3.59Å; P849-L852 HydrophobicContact CB-CD1 4.19Å; P849-L852 HydrophobicContact CB-CG 4.06Å; P849-L852 HydrophobicContact CG-CB 4.21Å; P849-L853 HydrophobicContact CG-CD2 3.95Å; P849-L853 HydrophobicContact CG-CG 4.26Å
850	K	98	Very high	97.4	Very high	9 Å²	9	31 Å²	31	4%	0.039	15%	0.153	C	C	.	.	S	Bend	trans	-116	-69.3	168.9	-56.4	176.6	-65.1	-155.4	0	110.8	F674 F738 P771 G773 M777 H781 L852 L853	F674-K850 HydrophobicContact CE1-CB 4.12Å; F674-K850 HydrophobicContact CE1-CD 4.13Å; F674-K850 HydrophobicContact CE1-CG 3.92Å; F674-K850 HydrophobicContact CE2-CG 4.02Å; F674-K850 HydrophobicContact CZ-CB 4.16Å; F674-K850 HydrophobicContact CZ-CD 3.85Å; F674-K850 HydrophobicContact CZ-CG 3.51Å; F738-K850 HydrophobicContact CD1-CD 3.9Å; F738-K850 HydrophobicContact CE1-CD 3.68Å; P771-K850 HydrophobicContact CB-CD 4.26Å; P771-K850 HydrophobicContact CB-CG 3.93Å; G773-K850 WeakPolarHBondContact O-CE 3.48Å; G773-K850 PolarHBondContact O-NZ 2.71Å; M777-K850 HydrophobicContact CE-CD 3.88Å; H781-K850 PolarHBondContact O-NZ 2.95Å; K850-L852 PolarHBondContact O-N 3.35Å; K850-L853 VanDerWaalsContact O-CB 3.32Å; K850-L853 WeakPolarHBondContact O-CB 3.32Å; K850-L853 WeakPolarHBondContact O-CD1 3.46Å; K850-L853 VanDerWaalsContact O-CG 3.29Å; K850-L853 WeakPolarHBondContact O-CG 3.46Å; K850-L853 PolarHBondContact O-N 2.78Å
851	S	96.6	Very high	97.6	Very high	50 Å²	50	32.7 Å²	32.7	35%	0.35	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-65.3	-35.9	176.3	54.3	0	0	0	0	113.7	E775 L853 R854 H855	E775-S851 WeakPolarHBondContact OE1-CB 3.19Å; E775-S851 PolarHBondContact OE1-N 3.23Å; E775-S851 PolarHBondContact OE1-OG 2.89Å; S851-L853 PolarHBondContact O-N 2.67Å; S851-L853 VanDerWaalsContact O-N 3.12Å; S851-R854 PolarHBondContact O-N 3.15Å; S851-R854 VanDerWaalsContact O-N 3.11Å; S851-H855 PolarHBondContact O-N 3.05Å
852	L	97.7	Very high	97.7	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.031	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-64.6	-18.1	-179.4	-53.6	-176.5	0	0	0	113.5	P849 K850 R854 H855 A858 K897 Y900	P849-L852 HydrophobicContact CB-CB 3.59Å; P849-L852 HydrophobicContact CB-CD1 4.19Å; P849-L852 HydrophobicContact CB-CG 4.06Å; P849-L852 HydrophobicContact CG-CB 4.21Å; K850-L852 PolarHBondContact O-N 3.35Å; L852-R854 PolarHBondContact O-N 3.4Å; L852-H855 HydrophobicContact CD2-CB 4.01Å; L852-H855 PolarHBondContact O-N 2.79Å; L852-A858 HydrophobicContact CB-CB 4.06Å; L852-A858 HydrophobicContact CD2-CB 4.33Å; L852-K897 HydrophobicContact CD1-CB 3.73Å; L852-K897 HydrophobicContact CD2-CB 3.93Å; L852-K897 HydrophobicContact CG-CB 3.8Å; L852-Y900 HydrophobicContact CD1-CD2 4.23Å; L852-Y900 HydrophobicContact CD1-CE2 3.77Å; L852-Y900 HydrophobicContact CD2-CD2 3.49Å; L852-Y900 VanDerWaalsContact CD2-CD2 3.49Å; L852-Y900 HydrophobicContact CD2-CE2 3.62Å; L852-Y900 HydrophobicContact CD2-CG 4.26Å; L852-Y900 HydrophobicContact CG-CE2 4.33Å
853	L	98.1	Very high	97.8	Very high	8 Å²	8	36.7 Å²	36.7	4%	0.042	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-54.8	-23.2	172.9	-63.5	174.2	0	0	0	112.8	W644 F674 H676 P849 K850 S851	W644-L853 HydrophobicContact CB-CD2 3.78Å; W644-L853 HydrophobicContact CG-CD2 3.83Å; F674-L853 HydrophobicContact CB-CD1 3.68Å; F674-L853 HydrophobicContact CD2-CD1 3.59Å; F674-L853 HydrophobicContact CG-CD1 3.8Å; H676-L853 HydrophobicContact CB-CD1 4.17Å; P849-L853 HydrophobicContact CG-CD2 3.95Å; P849-L853 HydrophobicContact CG-CG 4.26Å; K850-L853 VanDerWaalsContact O-CB 3.32Å; K850-L853 WeakPolarHBondContact O-CB 3.32Å; K850-L853 WeakPolarHBondContact O-CD1 3.46Å; K850-L853 VanDerWaalsContact O-CG 3.29Å; K850-L853 WeakPolarHBondContact O-CG 3.46Å; K850-L853 PolarHBondContact O-N 2.78Å; S851-L853 PolarHBondContact O-N 2.67Å; S851-L853 VanDerWaalsContact O-N 3.12Å
854	R	95.9	Very high	97.8	Very high	157 Å²	157	40 Å²	40	59%	0.592	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-132.7	8.6	-179.6	-60	-176.6	179.4	102.1	0.1	113.6	F674 S675 S851 L852	F674-R854 PolarHBondContact O-NH1 3.23Å; F674-R854 PolarHBondContact O-NH2 2.99Å; S675-R854 PolarHBondContact O-NH2 2.68Å; S851-R854 PolarHBondContact O-N 3.15Å; S851-R854 VanDerWaalsContact O-N 3.11Å; L852-R854 PolarHBondContact O-N 3.4Å
855	H	96.8	Very high	97.8	Very high	60 Å²	60	40 Å²	40	28%	0.278	20%	0.202	S	C	.	.			trans	-69.1	128.8	-177.7	-170.3	-86.6	0	0	0	109.7	S851 L852 E857 A858 Y900	S851-H855 PolarHBondContact O-N 3.05Å; L852-H855 HydrophobicContact CD2-CB 4.01Å; L852-H855 PolarHBondContact O-N 2.79Å; H855-E857 IonicContact CE1-OE2 3.35Å; H855-E857 PolarHBondContact ND1-N 3.4Å; H855-E857 PolarHBondContact O-N 3.01Å; H855-A858 HydrophobicContact CB-CB 3.8Å; H855-A858 PolarHBondContact O-N 3.44Å; H855-Y900 AromaticContact CE1-CD1 3.77Å; H855-Y900 AromaticContact ND1-CD1 3.82Å
856	P	95.3	Very high	97.7	Very high	99 Å²	99	41.5 Å²	41.5	64%	0.643	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-33.3	-172.8	-27.4	35.3	0	0	0	114.6
857	E	95.4	Very high	97.6	Very high	123 Å²	123	45.6 Å²	45.6	58%	0.575	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-11.2	178.9	-58.3	-180	137.6	0	0	113	H855 K859 Y900	H855-E857 IonicContact CE1-OE2 3.35Å; H855-E857 PolarHBondContact ND1-N 3.4Å; H855-E857 PolarHBondContact O-N 3.01Å; E857-K859 PolarHBondContact O-N 2.81Å; E857-Y900 HydrophobicContact CB-CD1 4.13Å; E857-Y900 HydrophobicContact CB-CE1 3.95Å
858	A	97.1	Very high	97.6	Very high	2 Å²	2	48.4 Å²	48.4	2%	0.017	27%	0.269	C	S	.	.			trans	-86.9	62.9	176.9	0	0	0	0	0	110.5	P825 L852 H855 Y900	P825-A858 WeakPolarHBondContact CG-O 3.34Å; L852-A858 HydrophobicContact CB-CB 4.06Å; L852-A858 HydrophobicContact CD2-CB 4.33Å; H855-A858 HydrophobicContact CB-CB 3.8Å; H855-A858 PolarHBondContact O-N 3.44Å; A858-Y900 WeakPolarHBondContact CA-OH 3.49Å; A858-Y900 HydrophobicContact CB-CE1 4.26Å; A858-Y900 HydrophobicContact CB-CE2 4.38Å; A858-Y900 WeakPolarHBondContact CB-OH 3.18Å
859	K	97.8	Very high	97.6	Very high	101 Å²	101	49.6 Å²	49.6	44%	0.439	28%	0.276	S	S	.	.			trans	-131.5	152.8	178.5	-66.5	-176.1	-179.4	-178.1	0	109.7	V641 V642 E857	V641-K859 HydrophobicContact CG1-CB 3.81Å; V641-K859 HydrophobicContact CG1-CD 3.85Å; V641-K859 HydrophobicContact CG1-CG 4.3Å; V642-K859 VanDerWaalsContact O-CA 3.28Å; V642-K859 WeakPolarHBondContact O-CA 3.4Å; V642-K859 WeakPolarHBondContact O-CB 3.35Å; E857-K859 PolarHBondContact O-N 2.81Å
860	S	98.6	Very high	97.6	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	150.6	177.6	-79.5	0	0	0	0	111.9	V641 V642 A826 E864	V641-S860 CarbonylContact C-O 3.49Å; V641-S860 VanDerWaalsContact CA-O 3.31Å; V641-S860 WeakPolarHBondContact CA-O 3.49Å; V642-S860 PolarHBondContact N-O 2.99Å; V642-S860 PolarHBondContact O-N 3.06Å; A826-S860 VanDerWaalsContact CB-OG 3.29Å; A826-S860 WeakPolarHBondContact CB-OG 3.27Å; A826-S860 PolarHBondContact N-OG 3.28Å; A826-S860 VanDerWaalsContact N-OG 3.1Å; S860-E864 VanDerWaalsContact CA-OE2 3.29Å; S860-E864 WeakPolarHBondContact CA-OE2 3.38Å; S860-E864 WeakPolarHBondContact CB-OE2 3.39Å; S860-E864 PolarHBondContact OG-OE2 3.27Å
861	S	98.4	Very high	97.6	Very high	36 Å²	36	52.2 Å²	52.2	25%	0.252	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	151.8	169.2	-179.2	0	0	0	0	109.8	R640 D863 E864	R640-S861 WeakPolarHBondContact O-CA 3.48Å; S861-D863 PolarHBondContact O-N 2.92Å; S861-D863 PolarHBondContact OG-N 2.69Å; S861-D863 PolarHBondContact OG-OD2 3.48Å; S861-E864 PolarHBondContact N-OE2 2.92Å; S861-E864 PolarHBondContact O-N 2.87Å; S861-E864 VanDerWaalsContact O-N 3.14Å
862	F	98.5	Very high	97.7	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-57.6	-28.1	167.6	-79	22.1	0	0	0	111.9	E602 L605 T637 R640 V642 M650 E864 M865 V866	E602-F862 HydrophobicContact CG-CD2 4.11Å; L605-F862 HydrophobicContact CB-CD2 3.95Å; L605-F862 HydrophobicContact CB-CE2 3.66Å; L605-F862 HydrophobicContact CB-CZ 4.13Å; L605-F862 HydrophobicContact CD1-CB 4.17Å; L605-F862 HydrophobicContact CD1-CD2 3.94Å; L605-F862 HydrophobicContact CD1-CE2 4.47Å; L605-F862 HydrophobicContact CD1-CG 3.99Å; T637-F862 HydrophobicContact CG2-CZ 4.26Å; R640-F862 HydrophobicContact CB-CB 4.16Å; R640-F862 HydrophobicContact CB-CD1 4.39Å; R640-F862 HydrophobicContact CB-CD2 4.24Å; R640-F862 HydrophobicContact CB-CG 4.02Å; R640-F862 HydrophobicContact CG-CD2 4.42Å; R640-F862 WeakPolarHBondContact O-CD1 3.32Å; R640-F862 PolarHBondContact O-N 3.2Å; V642-F862 HydrophobicContact CG1-CD1 3.94Å; V642-F862 HydrophobicContact CG1-CE1 3.48Å; V642-F862 VanDerWaalsContact CG1-CE1 3.48Å; M650-F862 HydrophobicContact CE-CE1 3.8Å; M650-F862 HydrophobicContact CE-CZ 3.55Å; M650-F862 HydrophobicContact SD-CE1 4.38Å; F862-E864 PolarHBondContact O-N 2.87Å; F862-E864 VanDerWaalsContact O-N 3.09Å; F862-M865 CarbonylContact O-C 3.58Å; F862-M865 WeakPolarHBondContact O-CA 3.44Å; F862-M865 PolarHBondContact O-N 3.37Å; F862-V866 WeakPolarHBondContact O-CG1 3.43Å; F862-V866 PolarHBondContact O-N 3.42Å
863	D	98.4	Very high	97.7	Very high	92 Å²	92	54.4 Å²	54.4	49%	0.492	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-60.3	-23	179.1	-53.4	-38.3	0	0	0	112.6	R640 S861 M865 T869	R640-D863 IonicContact CZ-OD1 2.97Å; R640-D863 IonicContact NH2-OD1 2.76Å; R640-D863 PolarHBondContact NH2-OD1 2.93Å; S861-D863 PolarHBondContact O-N 2.92Å; S861-D863 PolarHBondContact OG-N 2.69Å; S861-D863 PolarHBondContact OG-OD2 3.48Å; D863-M865 VanDerWaalsContact C-N 3.3Å; D863-T869 VanDerWaalsContact O-CG2 3.29Å; D863-T869 WeakPolarHBondContact O-CG2 3.3Å
864	E	98.5	Very high	97.7	Very high	76 Å²	76	54.4 Å²	54.4	36%	0.355	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-85.1	-1.5	175.5	-57.5	-179.4	116.5	0	0	112.8	A826 H830 S860 S861 F862	A826-E864 HydrophobicContact CB-CB 3.66Å; H830-E864 PolarHBondContact NE2-O 3.13Å; S860-E864 VanDerWaalsContact CA-OE2 3.29Å; S860-E864 WeakPolarHBondContact CA-OE2 3.38Å; S860-E864 WeakPolarHBondContact CB-OE2 3.39Å; S860-E864 PolarHBondContact OG-OE2 3.27Å; S861-E864 PolarHBondContact N-OE2 2.92Å; S861-E864 PolarHBondContact O-N 2.87Å; S861-E864 VanDerWaalsContact O-N 3.14Å; F862-E864 PolarHBondContact O-N 2.87Å; F862-E864 VanDerWaalsContact O-N 3.09Å
865	M	98.6	Very high	97.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.9	-5.6	-173.6	-64.9	172.6	52.2	0	0	113.4	G599 I600 L605 V642 M650 A826 F829 F862 D863 T869	G599-M865 CarbonylContact C-O 3.6Å; G599-M865 WeakPolarHBondContact CA-O 3.4Å; I600-M865 PolarHBondContact N-O 3.1Å; L605-M865 HydrophobicContact CD1-CB 4.1Å; L605-M865 HydrophobicContact CD2-CE 3.73Å; V642-M865 HydrophobicContact CG1-SD 4.39Å; V642-M865 HydrophobicContact CG2-SD 3.65Å; M650-M865 HydrophobicContact CB-CE 4.31Å; M650-M865 HydrophobicContact SD-CE 4.02Å; A826-M865 HydrophobicContact CB-CG 3.62Å; A826-M865 HydrophobicContact CB-SD 4.1Å; F829-M865 HydrophobicContact CB-CE 3.95Å; F829-M865 HydrophobicContact CB-SD 4.46Å; F829-M865 HydrophobicContact CD1-CB 4.24Å; F829-M865 HydrophobicContact CD1-CE 3.88Å; F829-M865 HydrophobicContact CD1-CG 4.01Å; F829-M865 HydrophobicContact CD2-CE 3.41Å; F829-M865 VanDerWaalsContact CD2-CE 3.41Å; F829-M865 HydrophobicContact CE1-CB 4.11Å; F829-M865 HydrophobicContact CE1-CE 4.18Å; F829-M865 HydrophobicContact CE1-CG 4.39Å; F829-M865 HydrophobicContact CE2-CE 3.75Å; F829-M865 HydrophobicContact CG-CE 3.49Å; F829-M865 VanDerWaalsContact CG-CE 3.49Å; F829-M865 HydrophobicContact CG-CG 4.41Å; F829-M865 HydrophobicContact CG-SD 4.43Å; F829-M865 HydrophobicContact CZ-CE 4.12Å; F862-M865 CarbonylContact O-C 3.58Å; F862-M865 WeakPolarHBondContact O-CA 3.44Å; F862-M865 PolarHBondContact O-N 3.37Å; D863-M865 VanDerWaalsContact C-N 3.3Å; M865-T869 VanDerWaalsContact C-OG1 3.27Å; M865-T869 WeakPolarHBondContact CA-OG1 3.36Å
866	V	98.4	Very high	97.9	Very high	33 Å²	33	46.9 Å²	46.9	20%	0.2	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-75.5	162.3	179.5	-72.3	0	0	0	0	112.8	G599 I600 E602 L605 F862 G868 T869	G599-V866 WeakPolarHBondContact CA-O 3.2Å; I600-V866 CarbonylContact O-C 3.55Å; I600-V866 WeakPolarHBondContact O-CA 3.37Å; E602-V866 HydrophobicContact CB-CG1 4.07Å; L605-V866 HydrophobicContact CD1-CG1 4.25Å; F862-V866 WeakPolarHBondContact O-CG1 3.43Å; F862-V866 PolarHBondContact O-N 3.42Å; V866-G868 PolarHBondContact O-N 2.91Å; V866-T869 HydrophobicContact CG2-CG2 4.44Å; V866-T869 PolarHBondContact N-OG1 3.41Å; V866-T869 WeakPolarHBondContact O-CB 3.12Å; V866-T869 WeakPolarHBondContact O-CG2 3.32Å; V866-T869 PolarHBondContact O-N 3.44Å; V866-T869 PolarHBondContact O-OG1 2.91Å
867	S	97	Very high	97.8	Very high	85 Å²	85	42.8 Å²	42.8	59%	0.594	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-42.4	129.5	178.2	-59.9	0	0	0	0	113.5	I600	I600-S867 PolarHBondContact O-N 2.97Å
868	G	97	Very high	97.7	Very high	61 Å²	61	42.7 Å²	42.7	63%	0.629	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	97.3	-16	-176.8	0	0	0	0	0	114.4	V866	V866-G868 PolarHBondContact O-N 2.91Å
869	T	98.5	Very high	97.5	Very high	31 Å²	31	43.8 Å²	43.8	19%	0.19	26%	0.26	C	S	.	.			trans	-77.2	157.3	171.4	59.3	0	0	0	0	112.4	P597 T598 G599 H830 D863 M865 V866	P597-T869 WeakPolarHBondContact CB-O 3.18Å; T598-T869 PolarHBondContact N-O 3.45Å; G599-T869 WeakPolarHBondContact CA-OG1 3.25Å; G599-T869 PolarHBondContact N-O 3.48Å; H830-T869 PolarHBondContact CE1-OG1 3.16Å; H830-T869 PolarHBondContact NE2-OG1 3.25Å; D863-T869 VanDerWaalsContact O-CG2 3.29Å; D863-T869 WeakPolarHBondContact O-CG2 3.3Å; M865-T869 VanDerWaalsContact C-OG1 3.27Å; M865-T869 WeakPolarHBondContact CA-OG1 3.36Å; V866-T869 HydrophobicContact CG2-CG2 4.44Å; V866-T869 PolarHBondContact N-OG1 3.41Å; V866-T869 WeakPolarHBondContact O-CB 3.12Å; V866-T869 WeakPolarHBondContact O-CG2 3.32Å; V866-T869 PolarHBondContact O-N 3.44Å; V866-T869 PolarHBondContact O-OG1 2.91Å
870	T	98.2	Very high	97.3	Very high	67 Å²	67	43.1 Å²	43.1	41%	0.411	26%	0.26	S	S	.	.			trans	-146.1	169.9	-178.9	-166.6	0	0	0	0	111.6	H830	H830-T870 PolarHBondContact CD2-O 3.15Å
871	F	98.4	Very high	97.1	Very high	6 Å²	6	43 Å²	43	3%	0.026	26%	0.259	C	S	.	.			trans	-62	132.5	172.4	179.7	-100.6	0	0	0	110.7	V820 N827 H830 A831 R834 R873 E921 Q922	V820-F871 HydrophobicContact CG1-CZ 3.93Å; N827-F871 HydrophobicContact CB-CE2 4.45Å; N827-F871 VanDerWaalsContact CG-CE2 3.43Å; N827-F871 VanDerWaalsContact ND2-CE2 3.27Å; N827-F871 WeakPolarHBondContact ND2-CE2 3.39Å; N827-F871 WeakPolarHBondContact O-CD2 3.42Å; N827-F871 WeakPolarHBondContact OD1-CD2 3.07Å; N827-F871 WeakPolarHBondContact OD1-CE2 3.38Å; H830-F871 HydrophobicContact CB-CB 3.74Å; H830-F871 HydrophobicContact CB-CD2 4.26Å; A831-F871 HydrophobicContact CB-CD2 3.88Å; A831-F871 HydrophobicContact CB-CE2 3.83Å; R834-F871 VanDerWaalsContact CZ-CD1 3.41Å; R834-F871 VanDerWaalsContact NH1-CD1 3.27Å; F871-R873 HydrophobicContact CD1-CG 3.96Å; F871-R873 HydrophobicContact CE1-CB 4.37Å; F871-R873 HydrophobicContact CE1-CG 3.85Å; F871-E921 HydrophobicContact CZ-CB 4.2Å; F871-Q922 HydrophobicContact CE1-CB 3.86Å; F871-Q922 HydrophobicContact CZ-CB 4.19Å
872	Q	98.3	Very high	96.8	Very high	87 Å²	87	42.9 Å²	42.9	41%	0.407	26%	0.261	S	S	.	.			trans	-97.4	110.4	175.5	-62.2	-174.5	36	0	0	109.3	N827 V874 I875 E921	N827-Q872 PolarHBondContact ND2-O 3.04Å; N827-Q872 PolarHBondContact OD1-N 2.92Å; Q872-V874 VanDerWaalsContact C-N 3.34Å; Q872-I875 HydrophobicContact CB-CG1 3.95Å; Q872-E921 WeakPolarHBondContact O-CB 3.3Å
873	R	98.2	Very high	96.5	Very high	15 Å²	15	49.9 Å²	49.9	6%	0.057	29%	0.293	C	S	.	.	S	Bend	trans	-66.8	-35.7	178.1	-68.5	-174.8	-77.3	121.3	0.5	112.4	E808 F871 E921 Q922 P927 D929 L930	E808-R873 IonicContact OE1-NE 3.6Å; E808-R873 IonicContact OE2-CZ 3.82Å; E808-R873 IonicContact OE2-NE 3.58Å; E808-R873 PolarHBondContact OE2-NE 2.82Å; E808-R873 IonicContact OE2-NH2 3.41Å; E808-R873 PolarHBondContact OE2-NH2 2.84Å; F871-R873 HydrophobicContact CD1-CG 3.96Å; F871-R873 HydrophobicContact CE1-CB 4.37Å; F871-R873 HydrophobicContact CE1-CG 3.85Å; R873-E921 PolarHBondContact O-N 3.19Å; R873-Q922 HydrophobicContact CB-CB 4.12Å; R873-Q922 HydrophobicContact CG-CB 4.12Å; R873-Q922 PolarHBondContact O-N 2.76Å; R873-P927 HydrophobicContact CB-CB 4.27Å; R873-D929 IonicContact CZ-OD1 3.72Å; R873-D929 IonicContact CZ-OD2 2.71Å; R873-D929 IonicContact NH1-OD1 2.91Å; R873-D929 PolarHBondContact NH1-OD1 2.77Å; R873-D929 IonicContact NH1-OD2 3.37Å; R873-D929 PolarHBondContact NH1-OD2 2.93Å; R873-D929 IonicContact NH2-OD1 3.62Å; R873-D929 IonicContact NH2-OD2 2.69Å; R873-D929 PolarHBondContact NH2-OD2 3.22Å; R873-L930 HydrophobicContact CB-CD1 3.86Å
874	V	98.7	Very high	96.3	Very high	9 Å²	9	47 Å²	47	6%	0.055	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	138.1	173.6	177.9	0	0	0	0	107.3	Q872 P876 T918 R919 L920 P927 L930 L931	Q872-V874 VanDerWaalsContact C-N 3.34Å; V874-P876 WeakPolarHBondContact O-CD 3.44Å; V874-T918 HydrophobicContact CG1-CG2 3.63Å; V874-R919 CarbonylContact C-O 3.55Å; V874-R919 WeakPolarHBondContact CA-O 3.45Å; V874-L920 HydrophobicContact CG2-CD1 3.88Å; V874-P927 HydrophobicContact CG2-CB 3.99Å; V874-P927 HydrophobicContact CG2-CG 3.53Å; V874-L930 HydrophobicContact CB-CB 4.08Å; V874-L930 HydrophobicContact CB-CD1 4.12Å; V874-L930 HydrophobicContact CG2-CB 3.83Å; V874-L930 HydrophobicContact CG2-CD1 4.14Å; V874-L931 HydrophobicContact CG1-CD2 4.23Å; V874-L931 HydrophobicContact CG2-CD2 4.07Å; V874-L931 HydrophobicContact CG2-CG 4.1Å
875	I	98.4	Very high	96	Very high	13 Å²	13	45.8 Å²	45.8	7%	0.067	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	102.2	170.9	-50.7	172.1	0	0	0	108.1	T824 Q872 R919 E921	T824-I875 HydrophobicContact CG2-CD1 4.47Å; Q872-I875 HydrophobicContact CB-CG1 3.95Å; I875-R919 HydrophobicContact CB-CB 4.22Å; I875-R919 PolarHBondContact N-O 3.01Å; I875-R919 PolarHBondContact O-N 3.38Å; I875-E921 HydrophobicContact CD1-CG 3.67Å; I875-E921 HydrophobicContact CG1-CG 3.78Å
876	P	97.2	Very high	95.7	Very high	45 Å²	45	53.1 Å²	53.1	29%	0.292	31%	0.312	S	S	.	.			trans	-58.8	164.4	176.1	-28.8	38.4	0	0	0	114.5	V874 E934	V874-P876 WeakPolarHBondContact O-CD 3.44Å; P876-E934 WeakPolarHBondContact CB-OE2 3.39Å
877	E	95.1	Very high	95.5	Very high	13 Å²	13	55.1 Å²	55.1	6%	0.061	32%	0.319	C	S	.	.			trans	-62.5	134.9	163.6	177.2	60.2	-127.1	0	0	109.9	G879 A881 A882 R906 A916 I917 E934	E877-G879 VanDerWaalsContact OE1-CA 3.27Å; E877-G879 WeakPolarHBondContact OE1-CA 3.3Å; E877-G879 PolarHBondContact OE1-N 3.02Å; E877-A881 HydrophobicContact CG-CB 3.95Å; E877-A882 HydrophobicContact CG-CB 4.22Å; E877-A882 WeakPolarHBondContact O-CB 3.38Å; E877-R906 IonicContact OE1-NH1 2.79Å; E877-R906 IonicContact OE1-NH2 3.73Å; E877-R906 PolarHBondContact OE1-NH2 3.09Å; E877-R906 IonicContact OE2-CZ 3.83Å; E877-R906 IonicContact OE2-NH1 3.52Å; E877-R906 PolarHBondContact OE2-NH1 3.22Å; E877-R906 IonicContact OE2-NH2 3.93Å; E877-R906 PolarHBondContact OE2-NH2 3.38Å; E877-A916 HydrophobicContact CB-CB 3.97Å; E877-A916 HydrophobicContact CG-CB 4.03Å; E877-I917 PolarHBondContact OE2-N 3.29Å; E877-E934 PolarHBondContact N-OE1 2.67Å
878	N	92.8	Very high	95.5	Very high	122 Å²	122	51.5 Å²	51.5	65%	0.652	29%	0.293	S	S	*	.			trans	-131.6	6.2	179.6	67.7	-7.7	0	0	0	113.9
879	G	92.8	Very high	95.5	Very high	25 Å²	25	54.4 Å²	54.4	26%	0.258	29%	0.285	S	S	.	.	S	Bend	trans	-90.5	-154.6	174.5	0	0	0	0	0	113.4	E877 A881 A882 H883	E877-G879 VanDerWaalsContact OE1-CA 3.27Å; E877-G879 WeakPolarHBondContact OE1-CA 3.3Å; E877-G879 PolarHBondContact OE1-N 3.02Å; G879-A881 VanDerWaalsContact C-N 3.33Å; G879-A881 PolarHBondContact O-N 3.38Å; G879-A882 WeakPolarHBondContact O-CB 3.49Å; G879-A882 PolarHBondContact O-N 3.21Å; G879-H883 PolarHBondContact O-CD2 2.94Å
880	L	93.3	Very high	95.5	Very high	86 Å²	86	52.9 Å²	52.9	45%	0.45	28%	0.276	S	S	.	.	H	α-helix	trans	-55.1	-43.8	-173.5	-69.5	175.9	0	0	0	113.3	A882 H883 V884 E912 K913	L880-A882 PolarHBondContact O-N 2.94Å; L880-H883 PolarHBondContact O-N 2.61Å; L880-V884 WeakPolarHBondContact O-CG2 3.21Å; L880-V884 PolarHBondContact O-N 3.27Å; L880-E912 HydrophobicContact CB-CB 4.47Å; L880-E912 HydrophobicContact CD1-CB 4.09Å; L880-K913 HydrophobicContact CB-CG 4.2Å; L880-K913 HydrophobicContact CD1-CG 4.42Å
881	A	93.9	Very high	95.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-55.4	-34.8	177.6	0	0	0	0	0	113.6	E877 G879 H883 V884 V888 E912 A916	E877-A881 HydrophobicContact CG-CB 3.95Å; G879-A881 VanDerWaalsContact C-N 3.33Å; G879-A881 PolarHBondContact O-N 3.38Å; A881-H883 VanDerWaalsContact C-N 3.29Å; A881-H883 PolarHBondContact O-N 2.97Å; A881-V884 CarbonylContact O-C 3.59Å; A881-V884 PolarHBondContact O-N 3.17Å; A881-V888 HydrophobicContact CB-CG2 3.73Å; A881-V888 WeakPolarHBondContact O-CG2 3.45Å; A881-E912 VanDerWaalsContact CB-O 3.31Å; A881-E912 WeakPolarHBondContact CB-O 3.48Å; A881-E912 PolarHBondContact N-O 3.03Å; A881-A916 HydrophobicContact CB-CB 4.09Å
882	A	92.3	Very high	95.5	Very high	34 Å²	34	49.4 Å²	49.4	28%	0.281	26%	0.255	S	S	.	.	H	α-helix	trans	-70.4	-25.1	177.7	0	0	0	0	0	113	E877 G879 L880	E877-A882 HydrophobicContact CG-CB 4.22Å; E877-A882 WeakPolarHBondContact O-CB 3.38Å; G879-A882 WeakPolarHBondContact O-CB 3.49Å; G879-A882 PolarHBondContact O-N 3.21Å; L880-A882 PolarHBondContact O-N 2.94Å
883	H	93.4	Very high	95.5	Very high	147 Å²	147	45.3 Å²	45.3	68%	0.681	24%	0.236	S	C	*	.	H	α-helix	trans	-86.7	-18.8	177.4	-61.8	-52.2	0	0	0	113.3	G879 L880 A881 P885	G879-H883 PolarHBondContact O-CD2 2.94Å; L880-H883 PolarHBondContact O-N 2.61Å; A881-H883 VanDerWaalsContact C-N 3.29Å; A881-H883 PolarHBondContact O-N 2.97Å; H883-P885 VanDerWaalsContact C-CD 3.44Å
884	V	92.8	Very high	95.5	Very high	31 Å²	31	44.6 Å²	44.6	19%	0.188	23%	0.233	C	C	.	.			trans	-127.8	59.6	176.6	-68.7	0	0	0	0	111.9	L880 A881 H886 E887 K913	L880-V884 WeakPolarHBondContact O-CG2 3.21Å; L880-V884 PolarHBondContact O-N 3.27Å; A881-V884 CarbonylContact O-C 3.59Å; A881-V884 PolarHBondContact O-N 3.17Å; V884-H886 PolarHBondContact O-N 3.46Å; V884-E887 HydrophobicContact CB-CB 4.21Å; V884-E887 HydrophobicContact CB-CG 4.14Å; V884-E887 HydrophobicContact CG2-CB 4.11Å; V884-E887 HydrophobicContact CG2-CG 4.39Å; V884-E887 PolarHBondContact O-N 3.27Å; V884-K913 HydrophobicContact CG2-CB 4.09Å; V884-K913 HydrophobicContact CG2-CG 4.23Å
885	P	92.1	Very high	95.5	Very high	51 Å²	51	44.4 Å²	44.4	33%	0.331	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-23.9	-172.2	23	-34.4	0	0	0	114.4	H883 E887 V888 Y938	H883-P885 VanDerWaalsContact C-CD 3.44Å; P885-E887 VanDerWaalsContact C-N 3.35Å; P885-V888 WeakPolarHBondContact O-CB 3.29Å; P885-V888 PolarHBondContact O-N 2.84Å; P885-Y938 HydrophobicContact CB-CD1 3.97Å; P885-Y938 HydrophobicContact CB-CE1 3.79Å
886	H	92.6	Very high	95.5	Very high	155 Å²	155	43.8 Å²	43.8	72%	0.718	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-18.4	176.2	64.7	-82.7	0	0	0	113.9	V884	V884-H886 PolarHBondContact O-N 3.46Å
887	E	94.3	Very high	95.5	Very high	75 Å²	75	43 Å²	43	35%	0.35	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-13	172.5	-66.9	-172.4	-152.1	0	0	112.2	V884 P885 R889 K913	V884-E887 HydrophobicContact CB-CB 4.21Å; V884-E887 HydrophobicContact CB-CG 4.14Å; V884-E887 HydrophobicContact CG2-CB 4.11Å; V884-E887 HydrophobicContact CG2-CG 4.39Å; V884-E887 PolarHBondContact O-N 3.27Å; P885-E887 VanDerWaalsContact C-N 3.35Å; E887-R889 PolarHBondContact O-N 3.4Å; E887-K913 WeakPolarHBondContact OE2-CD 3.41Å
888	V	97.2	Very high	95.6	Very high	8 Å²	8	42.5 Å²	42.5	5%	0.048	22%	0.218	C	C	.	.			trans	-71.1	115.8	-179.6	178.7	0	0	0	0	109.7	A881 P885 R890 V891 K913 Q914 A916 Y938 A941	A881-V888 HydrophobicContact CB-CG2 3.73Å; A881-V888 WeakPolarHBondContact O-CG2 3.45Å; P885-V888 WeakPolarHBondContact O-CB 3.29Å; P885-V888 PolarHBondContact O-N 2.84Å; V888-R890 VanDerWaalsContact CG1-O 3.3Å; V888-R890 WeakPolarHBondContact CG1-O 3.4Å; V888-V891 HydrophobicContact CG1-CG2 4.21Å; V888-K913 WeakPolarHBondContact CG2-O 3.34Å; V888-Q914 CarbonylContact C-O 3.25Å; V888-Q914 WeakPolarHBondContact CA-O 3.32Å; V888-A916 HydrophobicContact CG1-CB 4.02Å; V888-Y938 HydrophobicContact CB-CD1 3.65Å; V888-Y938 HydrophobicContact CB-CE1 4Å; V888-Y938 HydrophobicContact CG1-CD1 3.75Å; V888-Y938 HydrophobicContact CG1-CE1 4.14Å; V888-Y938 HydrophobicContact CG1-CG 4.25Å; V888-Y938 HydrophobicContact CG2-CD1 3.84Å; V888-Y938 HydrophobicContact CG2-CE1 3.63Å; V888-A941 HydrophobicContact CG1-CB 4.24Å
889	R	96.9	Very high	95.9	Very high	122 Å²	122	38.3 Å²	38.3	46%	0.46	19%	0.194	S	C	.	.			trans	-94	-20	176.4	-67.7	-176.2	61.4	-169.9	1.4	112.6	E887 Q914 A941 D942 L1006 E1010	E887-R889 PolarHBondContact O-N 3.4Å; R889-Q914 PolarHBondContact N-O 2.88Å; R889-A941 CarbonylContact O-C 3.05Å; R889-A941 VanDerWaalsContact O-CA 3.32Å; R889-A941 WeakPolarHBondContact O-CA 3.47Å; R889-D942 PolarHBondContact O-N 3.44Å; R889-L1006 HydrophobicContact CB-CD1 4.48Å; R889-L1006 HydrophobicContact CB-CD2 4.36Å; R889-E1010 IonicContact NH2-OE1 3.73Å
890	R	97.7	Very high	96.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	138.5	-178.5	-178.9	167.9	-70	168.5	7.6	112.2	V888 I892 Q914 V915 A916 D942 V944 T1002 A1003 N1005 L1006	V888-R890 VanDerWaalsContact CG1-O 3.3Å; V888-R890 WeakPolarHBondContact CG1-O 3.4Å; R890-I892 HydrophobicContact CG-CG1 4.05Å; R890-Q914 PolarHBondContact N-O 2.74Å; R890-V915 HydrophobicContact CB-CG2 4.38Å; R890-V915 WeakPolarHBondContact O-CA 3.42Å; R890-A916 PolarHBondContact O-N 3.37Å; R890-D942 WeakPolarHBondContact CA-O 3.31Å; R890-D942 HydrophobicContact CB-CB 4.31Å; R890-D942 HydrophobicContact CG-CB 4.17Å; R890-D942 IonicContact CZ-OD2 3.12Å; R890-D942 IonicContact NE-OD2 3.68Å; R890-D942 IonicContact NH2-OD2 3.81Å; R890-D942 PolarHBondContact NH2-OD2 3.17Å; R890-V944 HydrophobicContact CG-CG2 3.96Å; R890-T1002 PolarHBondContact NH1-O 2.96Å; R890-A1003 VanDerWaalsContact CD-O 3.32Å; R890-A1003 WeakPolarHBondContact CD-O 3.28Å; R890-A1003 PolarHBondContact NH1-O 2.8Å; R890-N1005 VanDerWaalsContact CZ-O 3.31Å; R890-N1005 PolarHBondContact NH1-O 3.21Å; R890-N1005 PolarHBondContact NH2-O 2.82Å; R890-L1006 HydrophobicContact CB-CD2 4.15Å; R890-L1006 PolarHBondContact NH2-O 3.17Å
891	V	98.1	Very high	96.4	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	120.2	169.3	-172.6	0	0	0	0	108.4	V888 F893 A916 Y938 A941 D942 L943 V944	V888-V891 HydrophobicContact CG1-CG2 4.21Å; V891-F893 HydrophobicContact CB-CE2 4.16Å; V891-F893 HydrophobicContact CG1-CD2 4.24Å; V891-F893 HydrophobicContact CG1-CE1 4.25Å; V891-F893 HydrophobicContact CG1-CE2 3.65Å; V891-F893 HydrophobicContact CG1-CZ 3.65Å; V891-A916 WeakPolarHBondContact CA-O 3.46Å; V891-A916 HydrophobicContact CG1-CB 4.45Å; V891-A916 HydrophobicContact CG2-CB 4.41Å; V891-Y938 HydrophobicContact CG1-CD2 4.43Å; V891-Y938 VanDerWaalsContact CG2-CB 3.49Å; V891-Y938 HydrophobicContact CG2-CD1 4.47Å; V891-Y938 HydrophobicContact CG2-CD2 3.43Å; V891-Y938 VanDerWaalsContact CG2-CD2 3.43Å; V891-Y938 HydrophobicContact CG2-CE2 4.24Å; V891-Y938 HydrophobicContact CG2-CG 3.55Å; V891-A941 HydrophobicContact CG2-CB 3.89Å; V891-D942 PolarHBondContact N-O 3.42Å; V891-L943 HydrophobicContact CB-CD2 4.39Å; V891-V944 PolarHBondContact O-N 3.26Å
892	I	98.7	Very high	96.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	111.8	175.9	-57.4	176.8	0	0	0	108.6	R890 L902 V915 A916 I917 T918 V944 C946 A1003 F1004	R890-I892 HydrophobicContact CG-CG1 4.05Å; I892-L902 HydrophobicContact CD1-CD2 4.49Å; I892-L902 HydrophobicContact CG2-CD1 3.88Å; I892-L902 HydrophobicContact CG2-CD2 4.44Å; I892-V915 HydrophobicContact CD1-CG1 3.57Å; I892-V915 HydrophobicContact CG1-CG1 3.88Å; I892-A916 PolarHBondContact N-O 3.48Å; I892-I917 HydrophobicContact CB-CG1 4.48Å; I892-I917 WeakPolarHBondContact O-CA 2.95Å; I892-T918 PolarHBondContact O-N 3.5Å; I892-V944 HydrophobicContact CG1-CB 4.35Å; I892-C946 HydrophobicContact CG2-CB 3.47Å; I892-C946 VanDerWaalsContact CG2-CB 3.47Å; I892-A1003 HydrophobicContact CD1-CB 4.13Å; I892-F1004 HydrophobicContact CD1-CE1 4Å; I892-F1004 HydrophobicContact CD1-CZ 4.01Å
893	F	98.8	Very high	96.9	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	135.1	167.4	-61.4	-84.5	0	0	0	109.7	V891 T918 L931 E934 L935 L943 V944 W945 C946 F963 I973	V891-F893 HydrophobicContact CB-CE2 4.16Å; V891-F893 HydrophobicContact CG1-CD2 4.24Å; V891-F893 HydrophobicContact CG1-CE1 4.25Å; V891-F893 HydrophobicContact CG1-CE2 3.65Å; V891-F893 HydrophobicContact CG1-CZ 3.65Å; F893-T918 WeakPolarHBondContact CA-O 3.49Å; F893-T918 HydrophobicContact CD1-CG2 3.97Å; F893-T918 HydrophobicContact CE1-CG2 3.97Å; F893-L931 HydrophobicContact CD1-CD2 4.06Å; F893-L931 HydrophobicContact CE1-CD2 3.89Å; F893-E934 HydrophobicContact CE1-CG 4.28Å; F893-L935 HydrophobicContact CE2-CD2 3.74Å; F893-L935 HydrophobicContact CZ-CD2 3.52Å; F893-L935 HydrophobicContact CZ-CG 4.01Å; F893-L943 HydrophobicContact CE2-CD2 4.28Å; F893-V944 PolarHBondContact N-O 2.91Å; F893-W945 HydrophobicContact CB-CE3 3.7Å; F893-W945 HydrophobicContact CB-CZ3 4.01Å; F893-C946 PolarHBondContact O-N 3.34Å; F893-F963 HydrophobicContact CB-CZ 4.19Å; F893-F963 HydrophobicContact CD1-CE1 4.1Å; F893-F963 AromaticContact CD1-CZ 3.77Å; F893-F963 HydrophobicContact CD1-CZ 3.77Å; F893-F963 HydrophobicContact CD2-CE1 4.04Å; F893-F963 HydrophobicContact CD2-CZ 4.07Å; F893-F963 HydrophobicContact CE1-CE1 4.04Å; F893-F963 HydrophobicContact CE1-CZ 4.15Å; F893-F963 AromaticContact CE2-CE1 3.98Å; F893-F963 HydrophobicContact CE2-CE1 3.98Å; F893-F963 HydrophobicContact CE2-CZ 4.43Å; F893-F963 HydrophobicContact CG-CE1 4.11Å; F893-F963 AromaticContact CG-CZ 3.72Å; F893-F963 HydrophobicContact CG-CZ 3.72Å; F893-F963 AromaticContact CZ-CE1 3.98Å; F893-F963 HydrophobicContact CZ-CE1 3.98Å; F893-F963 HydrophobicContact CZ-CZ 4.47Å; F893-I973 HydrophobicContact CD2-CD1 4.23Å
894	C	98.8	Very high	97.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	175.8	176.8	66.4	0	0	0	0	111	V898 L902 T918 R919 L920 C946	C894-V898 HydrophobicContact CB-CG1 3.71Å; C894-L902 HydrophobicContact CB-CD1 3.75Å; C894-T918 PolarHBondContact N-O 2.89Å; C894-R919 CarbonylContact O-C 3.6Å; C894-R919 WeakPolarHBondContact O-CA 3.26Å; C894-L920 PolarHBondContact O-N 3.32Å; C894-C946 WeakPolarHBondContact CB-O 2.88Å
895	T	98.7	Very high	97.3	Very high	5 Å²	5	35.7 Å²	35.7	3%	0.031	17%	0.166	C	C	.	.			trans	-144.4	147.7	176.1	-174.3	0	0	0	0	110.8	N821 L920 W945 Y955	N821-T895 WeakPolarHBondContact CB-OG1 3.48Å; T895-L920 WeakPolarHBondContact CB-O 3.29Å; T895-L920 PolarHBondContact OG1-O 3.32Å; T895-W945 HydrophobicContact CG2-CH2 4.1Å; T895-W945 HydrophobicContact CG2-CZ2 4Å; T895-Y955 HydrophobicContact CG2-CD1 4.03Å; T895-Y955 HydrophobicContact CG2-CD2 3.42Å; T895-Y955 VanDerWaalsContact CG2-CD2 3.42Å; T895-Y955 HydrophobicContact CG2-CE1 3.92Å; T895-Y955 HydrophobicContact CG2-CE2 3.28Å; T895-Y955 HydrophobicContact CG2-CG 3.81Å
896	G	97.6	Very high	97.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	-144.2	179.4	0	0	0	0	0	114.7	N821 V898 Y899	N821-G896 WeakPolarHBondContact ND2-CA 3.43Å; N821-G896 PolarHBondContact ND2-N 2.85Å; N821-G896 WeakPolarHBondContact OD1-CA 3.39Å; G896-V898 VanDerWaalsContact C-N 3.32Å; G896-V898 PolarHBondContact O-N 3.22Å; G896-Y899 WeakPolarHBondContact O-CB 3.26Å; G896-Y899 PolarHBondContact O-N 3.24Å
897	K	97.5	Very high	97.8	Very high	28 Å²	28	33.1 Å²	33.1	12%	0.122	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-24.4	-164.4	78.2	158.7	-162.1	65.9	0	115.8	M774 E775 L852 Y899 Y900 D901 E948	M774-K897 WeakPolarHBondContact O-CE 3.45Å; M774-K897 PolarHBondContact O-NZ 2.91Å; E775-K897 HydrophobicContact CG-CD 4.44Å; L852-K897 HydrophobicContact CD1-CB 3.73Å; L852-K897 HydrophobicContact CD2-CB 3.93Å; L852-K897 HydrophobicContact CG-CB 3.8Å; K897-Y899 PolarHBondContact O-N 2.87Å; K897-Y899 VanDerWaalsContact O-N 3.09Å; K897-Y900 PolarHBondContact O-N 3.15Å; K897-D901 IonicContact NZ-OD2 3.76Å; K897-D901 PolarHBondContact NZ-OD2 2.98Å; K897-E948 VanDerWaalsContact CE-CD 3.5Å; K897-E948 VanDerWaalsContact CE-OE1 3.22Å; K897-E948 WeakPolarHBondContact CE-OE1 3.34Å; K897-E948 WeakPolarHBondContact CE-OE2 3.33Å; K897-E948 IonicContact NZ-OE1 3.72Å; K897-E948 IonicContact NZ-OE2 3.18Å; K897-E948 PolarHBondContact NZ-OE2 3.13Å
898	V	98.3	Very high	97.9	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.012	16%	0.156	C	C	.	.	H	α-helix	trans	-61.9	-22	-177.2	73.5	0	0	0	0	111.7	C894 G896 Y900 D901 L902 E948 F999	C894-V898 HydrophobicContact CB-CG1 3.71Å; G896-V898 VanDerWaalsContact C-N 3.32Å; G896-V898 PolarHBondContact O-N 3.22Å; V898-Y900 VanDerWaalsContact C-N 3.25Å; V898-Y900 PolarHBondContact O-N 3.32Å; V898-D901 PolarHBondContact O-N 3.11Å; V898-D901 VanDerWaalsContact O-N 3.15Å; V898-L902 HydrophobicContact CG1-CD1 4.39Å; V898-L902 HydrophobicContact CG2-CD1 4.47Å; V898-L902 HydrophobicContact CG2-CG 4.44Å; V898-L902 WeakPolarHBondContact O-CG 3.35Å; V898-L902 PolarHBondContact O-N 3.08Å; V898-E948 HydrophobicContact CB-CB 4.37Å; V898-E948 HydrophobicContact CG2-CB 4.23Å; V898-F999 HydrophobicContact CG2-CE2 4.1Å; V898-F999 HydrophobicContact CG2-CZ 4.16Å
899	Y	98.6	Very high	97.9	Very high	34 Å²	34	37.4 Å²	37.4	13%	0.133	17%	0.17	C	C	.	.	H	α-helix	trans	-49.1	-45.2	170.2	171.5	-106.9	0	0	0	112.9	G896 K897 D901 L902 V903 I917 R919	G896-Y899 WeakPolarHBondContact O-CB 3.26Å; G896-Y899 PolarHBondContact O-N 3.24Å; K897-Y899 PolarHBondContact O-N 2.87Å; K897-Y899 VanDerWaalsContact O-N 3.09Å; Y899-D901 PolarHBondContact O-N 3.46Å; Y899-L902 PolarHBondContact O-N 3.06Å; Y899-V903 HydrophobicContact CD1-CG2 4.4Å; Y899-V903 HydrophobicContact CD2-CG2 3.93Å; Y899-V903 HydrophobicContact CE1-CG2 3.94Å; Y899-V903 HydrophobicContact CE2-CG2 3.41Å; Y899-V903 VanDerWaalsContact CE2-CG2 3.41Å; Y899-V903 HydrophobicContact CG-CG2 4.39Å; Y899-V903 VanDerWaalsContact CZ-CG2 3.43Å; Y899-V903 WeakPolarHBondContact O-CG2 3.48Å; Y899-V903 PolarHBondContact O-N 3.22Å; Y899-I917 HydrophobicContact CD2-CG2 3.73Å; Y899-I917 HydrophobicContact CE2-CG2 3.98Å; Y899-R919 VanDerWaalsContact CD2-CD 3.46Å; Y899-R919 HydrophobicContact CD2-CG 3.49Å; Y899-R919 VanDerWaalsContact CD2-CG 3.49Å; Y899-R919 HydrophobicContact CE2-CG 4.02Å; Y899-R919 HydrophobicContact CG-CG 3.86Å
900	Y	98.2	Very high	97.9	Very high	17 Å²	17	38 Å²	38	7%	0.067	18%	0.182	C	C	.	.	H	α-helix	trans	-70	-34.5	-177.2	-64.8	-84.9	0	0	0	112.1	S823 L852 H855 E857 A858 K897 V898 K904	S823-Y900 PolarHBondContact O-OH 3.17Å; L852-Y900 HydrophobicContact CD1-CD2 4.23Å; L852-Y900 HydrophobicContact CD1-CE2 3.77Å; L852-Y900 HydrophobicContact CD2-CD2 3.49Å; L852-Y900 VanDerWaalsContact CD2-CD2 3.49Å; L852-Y900 HydrophobicContact CD2-CE2 3.62Å; L852-Y900 HydrophobicContact CD2-CG 4.26Å; L852-Y900 HydrophobicContact CG-CE2 4.33Å; H855-Y900 AromaticContact CE1-CD1 3.77Å; H855-Y900 AromaticContact ND1-CD1 3.82Å; E857-Y900 HydrophobicContact CB-CD1 4.13Å; E857-Y900 HydrophobicContact CB-CE1 3.95Å; A858-Y900 WeakPolarHBondContact CA-OH 3.49Å; A858-Y900 HydrophobicContact CB-CE1 4.26Å; A858-Y900 HydrophobicContact CB-CE2 4.38Å; A858-Y900 WeakPolarHBondContact CB-OH 3.18Å; K897-Y900 PolarHBondContact O-N 3.15Å; V898-Y900 VanDerWaalsContact C-N 3.25Å; V898-Y900 PolarHBondContact O-N 3.32Å; Y900-K904 WeakPolarHBondContact O-CB 3.45Å; Y900-K904 PolarHBondContact O-N 3.27Å
901	D	98	Very high	97.8	Very high	45 Å²	45	38.9 Å²	38.9	24%	0.241	19%	0.187	C	C	.	.	H	α-helix	trans	-65.3	-41.9	172.5	-66.6	-48.5	0	0	0	110.6	K897 V898 Y899 E905 L1000	K897-D901 IonicContact NZ-OD2 3.76Å; K897-D901 PolarHBondContact NZ-OD2 2.98Å; V898-D901 PolarHBondContact O-N 3.11Å; V898-D901 VanDerWaalsContact O-N 3.15Å; Y899-D901 PolarHBondContact O-N 3.46Å; D901-E905 WeakPolarHBondContact O-CB 3.22Å; D901-E905 PolarHBondContact O-N 3.44Å; D901-L1000 HydrophobicContact CB-CD2 4.44Å
902	L	98.5	Very high	97.8	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-67.8	-45.6	179.1	-69.2	168.1	0	0	0	112.9	I892 C894 V898 Y899 K904 E905 R906 I917 C946 L1000 A1003 F1004	I892-L902 HydrophobicContact CD1-CD2 4.49Å; I892-L902 HydrophobicContact CG2-CD1 3.88Å; I892-L902 HydrophobicContact CG2-CD2 4.44Å; C894-L902 HydrophobicContact CB-CD1 3.75Å; V898-L902 HydrophobicContact CG1-CD1 4.39Å; V898-L902 HydrophobicContact CG2-CD1 4.47Å; V898-L902 HydrophobicContact CG2-CG 4.44Å; V898-L902 WeakPolarHBondContact O-CG 3.35Å; V898-L902 PolarHBondContact O-N 3.08Å; Y899-L902 PolarHBondContact O-N 3.06Å; L902-K904 VanDerWaalsContact C-N 3.33Å; L902-K904 PolarHBondContact O-N 3.19Å; L902-E905 PolarHBondContact O-N 2.83Å; L902-R906 WeakPolarHBondContact O-CB 3.43Å; L902-R906 PolarHBondContact O-N 2.96Å; L902-I917 HydrophobicContact CB-CD1 3.92Å; L902-I917 HydrophobicContact CD1-CG2 4.49Å; L902-C946 HydrophobicContact CD1-CB 4.19Å; L902-C946 HydrophobicContact CD2-CB 4.48Å; L902-L1000 HydrophobicContact CD2-CD2 3.82Å; L902-L1000 HydrophobicContact CG-CD2 4.47Å; L902-A1003 HydrophobicContact CD2-CB 4.19Å; L902-F1004 HydrophobicContact CB-CZ 4.36Å; L902-F1004 HydrophobicContact CD2-CE2 3.82Å; L902-F1004 HydrophobicContact CD2-CZ 4.14Å; L902-F1004 WeakPolarHBondContact O-CZ 3.41Å
903	V	97.6	Very high	97.6	Very high	32 Å²	32	46.9 Å²	46.9	19%	0.194	22%	0.223	C	C	.	.	H	α-helix	trans	-62.1	-44.2	179	167.9	0	0	0	0	110.9	Y899 E905 R906 K907 I917	Y899-V903 HydrophobicContact CD1-CG2 4.4Å; Y899-V903 HydrophobicContact CD2-CG2 3.93Å; Y899-V903 HydrophobicContact CE1-CG2 3.94Å; Y899-V903 HydrophobicContact CE2-CG2 3.41Å; Y899-V903 VanDerWaalsContact CE2-CG2 3.41Å; Y899-V903 HydrophobicContact CG-CG2 4.39Å; Y899-V903 VanDerWaalsContact CZ-CG2 3.43Å; Y899-V903 WeakPolarHBondContact O-CG2 3.48Å; Y899-V903 PolarHBondContact O-N 3.22Å; V903-E905 VanDerWaalsContact C-N 3.35Å; V903-E905 PolarHBondContact O-N 2.88Å; V903-R906 PolarHBondContact O-N 3.45Å; V903-K907 WeakPolarHBondContact O-CB 3.41Å; V903-K907 PolarHBondContact O-N 3.18Å; V903-K907 VanDerWaalsContact O-N 3.11Å; V903-I917 HydrophobicContact CG2-CD1 4.04Å
904	K	97.4	Very high	97.6	Very high	134 Å²	134	50.1 Å²	50.1	58%	0.583	24%	0.237	S	C	*	.	H	α-helix	trans	-59.9	-46.6	176.6	-178.7	-179.9	177.7	-178.2	0	111.2	Y900 L902 K907 N908	Y900-K904 WeakPolarHBondContact O-CB 3.45Å; Y900-K904 PolarHBondContact O-N 3.27Å; L902-K904 VanDerWaalsContact C-N 3.33Å; L902-K904 PolarHBondContact O-N 3.19Å; K904-K907 PolarHBondContact O-N 3.24Å; K904-N908 PolarHBondContact O-N 3.03Å; K904-N908 PolarHBondContact O-ND2 2.8Å; K904-N908 PolarHBondContact O-OD1 3.4Å
905	E	98.1	Very high	97.5	Very high	40 Å²	40	50.1 Å²	50.1	19%	0.187	24%	0.237	C	C	.	.	H	α-helix	trans	-68.9	-41.4	-179	-170.3	60.5	-157	0	0	112.5	D901 L902 V903 K907 N908 Q909 L1000 F1004	D901-E905 WeakPolarHBondContact O-CB 3.22Å; D901-E905 PolarHBondContact O-N 3.44Å; L902-E905 PolarHBondContact O-N 2.83Å; V903-E905 VanDerWaalsContact C-N 3.35Å; V903-E905 PolarHBondContact O-N 2.88Å; E905-K907 PolarHBondContact O-N 3.15Å; E905-N908 WeakPolarHBondContact O-CB 3.33Å; E905-N908 PolarHBondContact O-N 3.12Å; E905-N908 VanDerWaalsContact O-N 3.09Å; E905-N908 PolarHBondContact OE2-ND2 3.39Å; E905-Q909 PolarHBondContact O-N 2.9Å; E905-Q909 VanDerWaalsContact O-N 3.13Å; E905-Q909 PolarHBondContact OE1-NE2 2.89Å; E905-L1000 HydrophobicContact CB-CD2 4.38Å; E905-L1000 HydrophobicContact CG-CB 4.24Å; E905-F1004 HydrophobicContact CB-CD2 4.02Å; E905-F1004 HydrophobicContact CB-CE2 3.71Å; E905-F1004 HydrophobicContact CG-CD2 3.6Å; E905-F1004 HydrophobicContact CG-CE2 3.85Å; E905-F1004 HydrophobicContact CG-CG 4.48Å
906	R	98	Very high	97.5	Very high	18 Å²	18	49.9 Å²	49.9	7%	0.068	24%	0.236	C	C	.	.	H	α-helix	trans	-53.2	-44.5	173.9	-175	174.8	66.4	178.9	-3	111.7	E877 L902 V903 Q909 D910 L911 E912 V915 I917 F1004	E877-R906 IonicContact OE1-NH1 2.79Å; E877-R906 IonicContact OE1-NH2 3.73Å; E877-R906 PolarHBondContact OE1-NH2 3.09Å; E877-R906 IonicContact OE2-CZ 3.83Å; E877-R906 IonicContact OE2-NH1 3.52Å; E877-R906 PolarHBondContact OE2-NH1 3.22Å; E877-R906 IonicContact OE2-NH2 3.93Å; E877-R906 PolarHBondContact OE2-NH2 3.38Å; L902-R906 WeakPolarHBondContact O-CB 3.43Å; L902-R906 PolarHBondContact O-N 2.96Å; V903-R906 PolarHBondContact O-N 3.45Å; R906-Q909 PolarHBondContact O-N 2.91Å; R906-D910 PolarHBondContact O-N 3.03Å; R906-L911 HydrophobicContact CG-CB 4.16Å; R906-L911 PolarHBondContact O-N 2.85Å; R906-L911 VanDerWaalsContact O-N 3.09Å; R906-E912 HydrophobicContact CG-CG 4.38Å; R906-V915 VanDerWaalsContact CD-O 3.22Å; R906-V915 WeakPolarHBondContact CD-O 3.14Å; R906-V915 PolarHBondContact NH1-O 3.19Å; R906-I917 HydrophobicContact CB-CD1 4.22Å; R906-F1004 HydrophobicContact CB-CD1 4.34Å; R906-F1004 HydrophobicContact CB-CE1 3.42Å; R906-F1004 VanDerWaalsContact CB-CE1 3.42Å; R906-F1004 HydrophobicContact CB-CZ 3.64Å; R906-F1004 HydrophobicContact CG-CE1 3.8Å; R906-F1004 HydrophobicContact CG-CZ 4.48Å
907	K	96.5	Very high	97.6	Very high	134 Å²	134	50 Å²	50	58%	0.583	24%	0.236	S	C	*	.	H	α-helix	trans	-68	-40.9	178.6	-173.5	178.1	-177.2	175.3	0	111.9	V903 K904 E905 Q909 D910	V903-K907 WeakPolarHBondContact O-CB 3.41Å; V903-K907 PolarHBondContact O-N 3.18Å; V903-K907 VanDerWaalsContact O-N 3.11Å; K904-K907 PolarHBondContact O-N 3.24Å; E905-K907 PolarHBondContact O-N 3.15Å; K907-Q909 PolarHBondContact O-N 2.83Å; K907-D910 PolarHBondContact O-N 3.12Å
908	N	97.1	Very high	97.6	Very high	102 Å²	102	48.6 Å²	48.6	55%	0.545	23%	0.231	S	C	.	.	H	α-helix	trans	-62.6	-24.7	177.6	-66.4	-23.4	0	0	0	113.1	K904 E905	K904-N908 PolarHBondContact O-N 3.03Å; K904-N908 PolarHBondContact O-ND2 2.8Å; K904-N908 PolarHBondContact O-OD1 3.4Å; E905-N908 WeakPolarHBondContact O-CB 3.33Å; E905-N908 PolarHBondContact O-N 3.12Å; E905-N908 VanDerWaalsContact O-N 3.09Å; E905-N908 PolarHBondContact OE2-ND2 3.39Å
909	Q	96.6	Very high	97.6	Very high	72 Å²	72	49.4 Å²	49.4	34%	0.336	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	5	179.9	-59.9	-166.9	27.7	0	0	113.7	E905 R906 K907 L911	E905-Q909 PolarHBondContact O-N 2.9Å; E905-Q909 VanDerWaalsContact O-N 3.13Å; E905-Q909 PolarHBondContact OE1-NE2 2.89Å; R906-Q909 PolarHBondContact O-N 2.91Å; K907-Q909 PolarHBondContact O-N 2.83Å; Q909-L911 VanDerWaalsContact C-N 3.25Å; Q909-L911 HydrophobicContact CB-CD1 3.87Å; Q909-L911 HydrophobicContact CB-CG 3.92Å; Q909-L911 WeakPolarHBondContact O-CG 3.12Å; Q909-L911 PolarHBondContact O-N 3.44Å
910	D	96.7	Very high	97.6	Very high	134 Å²	134	47.9 Å²	47.9	72%	0.717	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	33.8	-178.5	-59.4	-51.3	0	0	0	114.2	R906 K907	R906-D910 PolarHBondContact O-N 3.03Å; K907-D910 PolarHBondContact O-N 3.12Å
911	L	97.2	Very high	97.7	Very high	19 Å²	19	47 Å²	47	10%	0.099	22%	0.224	C	C	.	.			trans	-98.3	16.4	-174.7	-66.2	177	0	0	0	114.1	R906 Q909 K913 Q914 V915 F1004 L1006	R906-L911 HydrophobicContact CG-CB 4.16Å; R906-L911 PolarHBondContact O-N 2.85Å; R906-L911 VanDerWaalsContact O-N 3.09Å; Q909-L911 VanDerWaalsContact C-N 3.25Å; Q909-L911 HydrophobicContact CB-CD1 3.87Å; Q909-L911 HydrophobicContact CB-CG 3.92Å; Q909-L911 WeakPolarHBondContact O-CG 3.12Å; Q909-L911 PolarHBondContact O-N 3.44Å; L911-K913 PolarHBondContact O-N 3.02Å; L911-K913 VanDerWaalsContact O-N 3.11Å; L911-Q914 PolarHBondContact O-N 2.89Å; L911-V915 HydrophobicContact CB-CG2 4.06Å; L911-V915 HydrophobicContact CD1-CG2 4.38Å; L911-V915 PolarHBondContact O-N 2.74Å; L911-F1004 HydrophobicContact CD1-CB 3.88Å; L911-F1004 HydrophobicContact CD1-CD1 3.85Å; L911-F1004 HydrophobicContact CD1-CG 4.29Å; L911-L1006 HydrophobicContact CD2-CD1 4.42Å
912	E	96.4	Very high	97.7	Very high	66 Å²	66	44.9 Å²	44.9	31%	0.308	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-22	-171.3	-64.2	162	119.8	0	0	114.5	L880 A881 R906	L880-E912 HydrophobicContact CB-CB 4.47Å; L880-E912 HydrophobicContact CD1-CB 4.09Å; A881-E912 VanDerWaalsContact CB-O 3.31Å; A881-E912 WeakPolarHBondContact CB-O 3.48Å; A881-E912 PolarHBondContact N-O 3.03Å; R906-E912 HydrophobicContact CG-CG 4.38Å
913	K	95.8	Very high	97.7	Very high	102 Å²	102	44.9 Å²	44.9	44%	0.443	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-29	173.6	-64.3	-175.4	-179.8	-174.3	0	113.5	L880 V884 E887 V888 L911	L880-K913 HydrophobicContact CB-CG 4.2Å; L880-K913 HydrophobicContact CD1-CG 4.42Å; V884-K913 HydrophobicContact CG2-CB 4.09Å; V884-K913 HydrophobicContact CG2-CG 4.23Å; E887-K913 WeakPolarHBondContact OE2-CD 3.41Å; V888-K913 WeakPolarHBondContact CG2-O 3.34Å; L911-K913 PolarHBondContact O-N 3.02Å; L911-K913 VanDerWaalsContact O-N 3.11Å
914	Q	97.4	Very high	97.7	Very high	68 Å²	68	43.4 Å²	43.4	32%	0.318	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-21	-168.2	-64.7	164.9	18.7	0	0	112.4	V888 R889 R890 L911 L1006	V888-Q914 CarbonylContact C-O 3.25Å; V888-Q914 WeakPolarHBondContact CA-O 3.32Å; R889-Q914 PolarHBondContact N-O 2.88Å; R890-Q914 PolarHBondContact N-O 2.74Å; L911-Q914 PolarHBondContact O-N 2.89Å; Q914-L1006 HydrophobicContact CB-CD1 4.41Å
915	V	98.2	Very high	97.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	114.9	-178	-176.9	0	0	0	0	110.4	R890 I892 R906 L911 I917 F1004 L1006	R890-V915 HydrophobicContact CB-CG2 4.38Å; R890-V915 WeakPolarHBondContact O-CA 3.42Å; I892-V915 HydrophobicContact CD1-CG1 3.57Å; I892-V915 HydrophobicContact CG1-CG1 3.88Å; R906-V915 VanDerWaalsContact CD-O 3.22Å; R906-V915 WeakPolarHBondContact CD-O 3.14Å; R906-V915 PolarHBondContact NH1-O 3.19Å; L911-V915 HydrophobicContact CB-CG2 4.06Å; L911-V915 HydrophobicContact CD1-CG2 4.38Å; L911-V915 PolarHBondContact O-N 2.74Å; V915-I917 HydrophobicContact CG1-CG1 4.5Å; V915-F1004 HydrophobicContact CB-CD1 4.48Å; V915-F1004 HydrophobicContact CB-CE1 4.24Å; V915-F1004 HydrophobicContact CG1-CD1 4.27Å; V915-F1004 HydrophobicContact CG1-CE1 3.79Å; V915-F1004 HydrophobicContact CG2-CD1 4.17Å; V915-F1004 HydrophobicContact CG2-CE1 4.42Å; V915-L1006 HydrophobicContact CG2-CD2 3.94Å
916	A	98.3	Very high	97.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	141.4	169.6	0	0	0	0	0	110.2	E877 A881 V888 R890 V891 I892 Y938	E877-A916 HydrophobicContact CB-CB 3.97Å; E877-A916 HydrophobicContact CG-CB 4.03Å; A881-A916 HydrophobicContact CB-CB 4.09Å; V888-A916 HydrophobicContact CG1-CB 4.02Å; R890-A916 PolarHBondContact O-N 3.37Å; V891-A916 WeakPolarHBondContact CA-O 3.46Å; V891-A916 HydrophobicContact CG1-CB 4.45Å; V891-A916 HydrophobicContact CG2-CB 4.41Å; I892-A916 PolarHBondContact N-O 3.48Å; A916-Y938 HydrophobicContact CB-CE1 4.28Å; A916-Y938 HydrophobicContact CB-CE2 4.07Å
917	I	98.6	Very high	97.6	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	116.3	176	-56.7	168.7	0	0	0	109.1	E877 I892 Y899 L902 V903 R906 V915 F1004	E877-I917 PolarHBondContact OE2-N 3.29Å; I892-I917 HydrophobicContact CB-CG1 4.48Å; I892-I917 WeakPolarHBondContact O-CA 2.95Å; Y899-I917 HydrophobicContact CD2-CG2 3.73Å; Y899-I917 HydrophobicContact CE2-CG2 3.98Å; L902-I917 HydrophobicContact CB-CD1 3.92Å; L902-I917 HydrophobicContact CD1-CG2 4.49Å; V903-I917 HydrophobicContact CG2-CD1 4.04Å; R906-I917 HydrophobicContact CB-CD1 4.22Å; V915-I917 HydrophobicContact CG1-CG1 4.5Å; I917-F1004 HydrophobicContact CD1-CZ 4.4Å
918	T	98.6	Very high	97.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	136.1	-179.9	-54.6	0	0	0	0	109.8	V874 I892 F893 C894 E934	V874-T918 HydrophobicContact CG1-CG2 3.63Å; I892-T918 PolarHBondContact O-N 3.5Å; F893-T918 WeakPolarHBondContact CA-O 3.49Å; F893-T918 HydrophobicContact CD1-CG2 3.97Å; F893-T918 HydrophobicContact CE1-CG2 3.97Å; C894-T918 PolarHBondContact N-O 2.89Å; T918-E934 HydrophobicContact CG2-CG 3.98Å; T918-E934 PolarHBondContact OG1-OE1 3.14Å
919	R	98.6	Very high	97.5	Very high	19 Å²	19	24.5 Å²	24.5	7%	0.072	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	131.4	179.1	-67.4	168.3	-84.5	-179.3	-6.5	111.5	S823 V874 I875 C894 Y899	S823-R919 WeakPolarHBondContact OG-CD 3.34Å; S823-R919 PolarHBondContact OG-NH1 2.64Å; S823-R919 VanDerWaalsContact OG-NH1 3.12Å; V874-R919 CarbonylContact C-O 3.55Å; V874-R919 WeakPolarHBondContact CA-O 3.45Å; I875-R919 HydrophobicContact CB-CB 4.22Å; I875-R919 PolarHBondContact N-O 3.01Å; I875-R919 PolarHBondContact O-N 3.38Å; C894-R919 CarbonylContact O-C 3.6Å; C894-R919 WeakPolarHBondContact O-CA 3.26Å; Y899-R919 VanDerWaalsContact CD2-CD 3.46Å; Y899-R919 HydrophobicContact CD2-CG 3.49Å; Y899-R919 VanDerWaalsContact CD2-CG 3.49Å; Y899-R919 HydrophobicContact CE2-CG 4.02Å; Y899-R919 HydrophobicContact CG-CG 3.86Å
920	L	98.6	Very high	97.5	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	107	169.2	-174	62.5	0	0	0	108.7	V874 C894 T895 Q922 I923 F926 P927 L931 W945 V959	V874-L920 HydrophobicContact CG2-CD1 3.88Å; C894-L920 PolarHBondContact O-N 3.32Å; T895-L920 WeakPolarHBondContact CB-O 3.29Å; T895-L920 PolarHBondContact OG1-O 3.32Å; L920-Q922 WeakPolarHBondContact CD1-O 3.36Å; L920-Q922 WeakPolarHBondContact CG-O 3.48Å; L920-I923 HydrophobicContact CD2-CG1 4.4Å; L920-I923 HydrophobicContact CD2-CG2 4.47Å; L920-I923 HydrophobicContact CG-CG1 4.47Å; L920-F926 HydrophobicContact CD2-CD2 4.37Å; L920-F926 HydrophobicContact CD2-CE2 3.99Å; L920-P927 HydrophobicContact CD1-CG 3.33Å; L920-L931 HydrophobicContact CD1-CD1 4.09Å; L920-W945 HydrophobicContact CB-CH2 4.39Å; L920-W945 HydrophobicContact CB-CZ3 4.4Å; L920-W945 HydrophobicContact CD2-CH2 4.04Å; L920-W945 HydrophobicContact CD2-CZ3 4.06Å; L920-V959 HydrophobicContact CD2-CG1 4.14Å
921	E	98.7	Very high	97.5	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	-93.9	-37.2	-175.7	-60.7	-82.6	122	0	0	111.5	V820 N821 C822 S823 N827 F871 Q872 R873 I875	V820-E921 CarbonylContact C-O 3.5Å; V820-E921 WeakPolarHBondContact CA-O 3.43Å; V820-E921 WeakPolarHBondContact CB-O 3.49Å; N821-E921 PolarHBondContact N-O 2.91Å; C822-E921 WeakPolarHBondContact CA-OE2 3.22Å; S823-E921 WeakPolarHBondContact CB-OE1 3.46Å; S823-E921 VanDerWaalsContact N-CD 3.34Å; S823-E921 PolarHBondContact N-OE1 3.19Å; S823-E921 VanDerWaalsContact N-OE1 3.09Å; S823-E921 PolarHBondContact N-OE2 3.05Å; S823-E921 PolarHBondContact OG-OE1 2.89Å; N827-E921 VanDerWaalsContact ND2-CB 3.25Å; N827-E921 WeakPolarHBondContact ND2-CB 2.95Å; N827-E921 VanDerWaalsContact ND2-CG 3.25Å; N827-E921 WeakPolarHBondContact ND2-CG 3.45Å; N827-E921 PolarHBondContact ND2-OE2 2.82Å; F871-E921 HydrophobicContact CZ-CB 4.2Å; Q872-E921 WeakPolarHBondContact O-CB 3.3Å; R873-E921 PolarHBondContact O-N 3.19Å; I875-E921 HydrophobicContact CD1-CG 3.67Å; I875-E921 HydrophobicContact CG1-CG 3.78Å
922	Q	98.6	Very high	97.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	117	167.3	178.5	178.8	-60.8	0	0	109.3	V820 F871 R873 L920 P925 P927	V820-Q922 HydrophobicContact CG1-CB 4.21Å; V820-Q922 HydrophobicContact CG1-CG 4.36Å; F871-Q922 HydrophobicContact CE1-CB 3.86Å; F871-Q922 HydrophobicContact CZ-CB 4.19Å; R873-Q922 HydrophobicContact CB-CB 4.12Å; R873-Q922 HydrophobicContact CG-CB 4.12Å; R873-Q922 PolarHBondContact O-N 2.76Å; L920-Q922 WeakPolarHBondContact CD1-O 3.36Å; L920-Q922 WeakPolarHBondContact CG-O 3.48Å; Q922-P925 PolarHBondContact NE2-O 3.16Å; Q922-P927 WeakPolarHBondContact O-CD 3.35Å
923	I	98.2	Very high	97.3	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-46.5	-178.8	-54.8	88.7	0	0	0	109.7	L790 V819 N821 L920 F926 Y955 Y958 V959	L790-I923 HydrophobicContact CD1-CG2 3.82Å; L790-I923 HydrophobicContact CD2-CB 4.08Å; L790-I923 HydrophobicContact CD2-CG2 3.52Å; L790-I923 HydrophobicContact CG-CG2 4.33Å; V819-I923 PolarHBondContact O-N 2.93Å; N821-I923 HydrophobicContact CB-CD1 3.75Å; L920-I923 HydrophobicContact CD2-CG1 4.4Å; L920-I923 HydrophobicContact CD2-CG2 4.47Å; L920-I923 HydrophobicContact CG-CG1 4.47Å; I923-F926 WeakPolarHBondContact O-CA 3.35Å; I923-F926 PolarHBondContact O-N 3.03Å; I923-Y955 HydrophobicContact CD1-CE1 4.39Å; I923-Y955 HydrophobicContact CG1-CD1 4.11Å; I923-Y955 HydrophobicContact CG1-CE1 4.27Å; I923-Y955 HydrophobicContact CG2-CD1 4.3Å; I923-Y958 HydrophobicContact CG2-CD1 3.76Å; I923-Y958 HydrophobicContact CG2-CE1 3.78Å; I923-Y958 VanDerWaalsContact O-CE1 3.31Å; I923-Y958 WeakPolarHBondContact O-CE1 3.21Å; I923-V959 HydrophobicContact CG2-CG1 4.31Å
924	S	97.9	Very high	97.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	132.3	176.3	-179.1	0	0	0	0	109.9	S793 I818 V819	S793-S924 WeakPolarHBondContact CB-OG 3.47Å; S793-S924 WeakPolarHBondContact OG-CB 3.36Å; S793-S924 PolarHBondContact OG-OG 3.35Å; I818-S924 CarbonylContact C-O 3.39Å; I818-S924 WeakPolarHBondContact CA-O 3.46Å; V819-S924 PolarHBondContact N-O 2.82Å; V819-S924 PolarHBondContact O-N 2.8Å
925	P	97.2	Very high	97.1	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.013	7%	0.068	C	C	.	.	S	Bend	cis	-67.3	150.2	-10.2	31.4	-36.1	0	0	0	111.3	Q811 L812 C815 Q922	Q811-P925 HydrophobicContact CB-CG 4.45Å; Q811-P925 VanDerWaalsContact CD-CB 3.48Å; Q811-P925 HydrophobicContact CG-CB 3.61Å; Q811-P925 HydrophobicContact CG-CG 3.76Å; L812-P925 HydrophobicContact CD2-CG 3.96Å; C815-P925 HydrophobicContact CB-CB 4.12Å; C815-P925 HydrophobicContact CB-CG 4.23Å; Q922-P925 PolarHBondContact NE2-O 3.16Å
926	F	97.7	Very high	96.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.095	C	C	.	.			trans	-71.6	131	-171.3	-169.4	-105.8	0	0	0	112.3	Q811 L920 I923 F928 L931 Y958 V959 R962 F963 I966	Q811-F926 PolarHBondContact NE2-O 3Å; L920-F926 HydrophobicContact CD2-CD2 4.37Å; L920-F926 HydrophobicContact CD2-CE2 3.99Å; I923-F926 WeakPolarHBondContact O-CA 3.35Å; I923-F926 PolarHBondContact O-N 3.03Å; F926-F928 HydrophobicContact CB-CD2 4.27Å; F926-F928 HydrophobicContact CB-CE2 3.96Å; F926-F928 HydrophobicContact CD1-CD1 4.08Å; F926-F928 AromaticContact CD1-CD2 3.81Å; F926-F928 HydrophobicContact CD1-CD2 3.81Å; F926-F928 HydrophobicContact CD1-CE1 4Å; F926-F928 AromaticContact CD1-CE2 3.74Å; F926-F928 HydrophobicContact CD1-CE2 3.74Å; F926-F928 AromaticContact CD1-CG 3.98Å; F926-F928 HydrophobicContact CD1-CG 3.98Å; F926-F928 AromaticContact CD1-CZ 3.84Å; F926-F928 HydrophobicContact CD1-CZ 3.84Å; F926-F928 HydrophobicContact CE1-CD1 4.36Å; F926-F928 HydrophobicContact CE1-CE1 4.32Å; F926-F928 HydrophobicContact CG-CE2 4.33Å; F926-F928 VanDerWaalsContact O-CD2 3.29Å; F926-F928 WeakPolarHBondContact O-CD2 3.35Å; F926-F928 PolarHBondContact O-N 3.21Å; F926-L931 HydrophobicContact CD1-CD1 4.32Å; F926-L931 HydrophobicContact CD2-CD1 4.42Å; F926-L931 HydrophobicContact CE1-CD1 3.57Å; F926-L931 HydrophobicContact CE2-CD1 3.67Å; F926-L931 HydrophobicContact CZ-CD1 3.19Å; F926-Y958 HydrophobicContact CB-CE1 4.44Å; F926-Y958 HydrophobicContact CD2-CE1 4.2Å; F926-V959 HydrophobicContact CE2-CB 4.13Å; F926-V959 HydrophobicContact CE2-CG1 4.05Å; F926-R962 HydrophobicContact CD1-CB 3.61Å; F926-R962 HydrophobicContact CD1-CG 4.25Å; F926-R962 HydrophobicContact CD2-CB 4.36Å; F926-R962 HydrophobicContact CE1-CB 3.44Å; F926-R962 VanDerWaalsContact CE1-CB 3.44Å; F926-R962 HydrophobicContact CE2-CB 4.24Å; F926-R962 HydrophobicContact CG-CB 4.07Å; F926-R962 HydrophobicContact CG-CG 4.35Å; F926-R962 HydrophobicContact CZ-CB 3.77Å; F926-F963 HydrophobicContact CE2-CD2 4.46Å; F926-F963 HydrophobicContact CE2-CE2 4.23Å; F926-F963 AromaticContact CZ-CD2 3.88Å; F926-F963 HydrophobicContact CZ-CD2 3.88Å; F926-F963 AromaticContact CZ-CE2 3.87Å; F926-F963 HydrophobicContact CZ-CE2 3.87Å; F926-F963 HydrophobicContact CZ-CG 4.38Å; F926-F963 HydrophobicContact CZ-CZ 4.37Å; F926-I966 HydrophobicContact CE1-CD1 3.68Å; F926-I966 HydrophobicContact CZ-CD1 4.41Å
927	P	96.5	Very high	96.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.115	C	C	.	.			trans	-84.1	72.9	-174.5	33.3	-34.6	0	0	0	112.1	R873 V874 L920 Q922 D929 L930 L931	R873-P927 HydrophobicContact CB-CB 4.27Å; V874-P927 HydrophobicContact CG2-CB 3.99Å; V874-P927 HydrophobicContact CG2-CG 3.53Å; L920-P927 HydrophobicContact CD1-CG 3.33Å; Q922-P927 WeakPolarHBondContact O-CD 3.35Å; P927-D929 VanDerWaalsContact C-N 3.29Å; P927-D929 PolarHBondContact O-N 3Å; P927-L930 PolarHBondContact O-N 3.28Å; P927-L931 HydrophobicContact CG-CD1 4.07Å; P927-L931 HydrophobicContact CG-CG 4.24Å; P927-L931 WeakPolarHBondContact O-CB 3.15Å; P927-L931 WeakPolarHBondContact O-CG 3.27Å; P927-L931 PolarHBondContact O-N 2.99Å; P927-L931 VanDerWaalsContact O-N 3.09Å
928	F	96.2	Very high	96.5	Very high	6 Å²	6	25 Å²	25	3%	0.026	12%	0.116	C	C	.	.	H	α-helix	trans	-56.3	-40.2	179.9	-75.4	-88.9	0	0	0	113.5	Y800 P801 F803 F926 K932 R962 T965 I966	Y800-F928 HydrophobicContact CD2-CD1 4.04Å; Y800-F928 HydrophobicContact CE2-CB 4.49Å; Y800-F928 HydrophobicContact CE2-CD1 4.18Å; P801-F928 HydrophobicContact CG-CB 3.82Å; P801-F928 HydrophobicContact CG-CD2 3.77Å; P801-F928 HydrophobicContact CG-CG 3.86Å; F803-F928 HydrophobicContact CE1-CB 4.17Å; F803-F928 HydrophobicContact CZ-CB 4.14Å; F926-F928 HydrophobicContact CB-CD2 4.27Å; F926-F928 HydrophobicContact CB-CE2 3.96Å; F926-F928 HydrophobicContact CD1-CD1 4.08Å; F926-F928 AromaticContact CD1-CD2 3.81Å; F926-F928 HydrophobicContact CD1-CD2 3.81Å; F926-F928 HydrophobicContact CD1-CE1 4Å; F926-F928 AromaticContact CD1-CE2 3.74Å; F926-F928 HydrophobicContact CD1-CE2 3.74Å; F926-F928 AromaticContact CD1-CG 3.98Å; F926-F928 HydrophobicContact CD1-CG 3.98Å; F926-F928 AromaticContact CD1-CZ 3.84Å; F926-F928 HydrophobicContact CD1-CZ 3.84Å; F926-F928 HydrophobicContact CE1-CD1 4.36Å; F926-F928 HydrophobicContact CE1-CE1 4.32Å; F926-F928 HydrophobicContact CG-CE2 4.33Å; F926-F928 VanDerWaalsContact O-CD2 3.29Å; F926-F928 WeakPolarHBondContact O-CD2 3.35Å; F926-F928 PolarHBondContact O-N 3.21Å; F928-K932 WeakPolarHBondContact O-CB 3.46Å; F928-K932 PolarHBondContact O-N 2.97Å; F928-K932 VanDerWaalsContact O-N 3.09Å; F928-R962 HydrophobicContact CE1-CB 4.18Å; F928-R962 HydrophobicContact CZ-CB 4.02Å; F928-R962 HydrophobicContact CZ-CG 4.02Å; F928-T965 HydrophobicContact CE1-CG2 4.35Å; F928-I966 HydrophobicContact CD1-CD1 4.11Å; F928-I966 HydrophobicContact CD1-CG1 3.64Å; F928-I966 HydrophobicContact CE1-CG1 4.22Å
929	D	94.8	Very high	96.1	Very high	24 Å²	24	29.7 Å²	29.7	13%	0.128	15%	0.146	C	C	.	.	H	α-helix	trans	-57.4	-56.9	178.4	54.4	-25.9	0	0	0	111.8	F803 F807 R873 P927 E933	F803-D929 HydrophobicContact CD1-CB 3.93Å; F803-D929 HydrophobicContact CE1-CB 3.56Å; F803-D929 HydrophobicContact CE2-CB 4.25Å; F803-D929 HydrophobicContact CG-CB 4.45Å; F803-D929 HydrophobicContact CZ-CB 3.74Å; F807-D929 HydrophobicContact CD1-CB 4.3Å; F807-D929 HydrophobicContact CE1-CB 4.09Å; R873-D929 IonicContact CZ-OD1 3.72Å; R873-D929 IonicContact CZ-OD2 2.71Å; R873-D929 IonicContact NH1-OD1 2.91Å; R873-D929 PolarHBondContact NH1-OD1 2.77Å; R873-D929 IonicContact NH1-OD2 3.37Å; R873-D929 PolarHBondContact NH1-OD2 2.93Å; R873-D929 IonicContact NH2-OD1 3.62Å; R873-D929 IonicContact NH2-OD2 2.69Å; R873-D929 PolarHBondContact NH2-OD2 3.22Å; P927-D929 VanDerWaalsContact C-N 3.29Å; P927-D929 PolarHBondContact O-N 3Å; D929-E933 PolarHBondContact O-N 3.15Å
930	L	96.7	Very high	95.6	Very high	49 Å²	49	32.4 Å²	32.4	26%	0.257	18%	0.18	S	C	.	.	H	α-helix	trans	-73.5	-35.2	-174.3	-58.7	179.5	0	0	0	112.6	R873 V874 P927 E933 E934	R873-L930 HydrophobicContact CB-CD1 3.86Å; V874-L930 HydrophobicContact CB-CB 4.08Å; V874-L930 HydrophobicContact CB-CD1 4.12Å; V874-L930 HydrophobicContact CG2-CB 3.83Å; V874-L930 HydrophobicContact CG2-CD1 4.14Å; P927-L930 PolarHBondContact O-N 3.28Å; L930-E933 PolarHBondContact O-N 2.95Å; L930-E934 PolarHBondContact O-N 3.28Å; L930-E934 VanDerWaalsContact O-N 3.1Å
931	L	96.4	Very high	95.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-72.4	-32.7	179.4	-73	174.2	0	0	0	112.2	V874 F893 L920 F926 P927 E934 L935 F963 I966	V874-L931 HydrophobicContact CG1-CD2 4.23Å; V874-L931 HydrophobicContact CG2-CD2 4.07Å; V874-L931 HydrophobicContact CG2-CG 4.1Å; F893-L931 HydrophobicContact CD1-CD2 4.06Å; F893-L931 HydrophobicContact CE1-CD2 3.89Å; L920-L931 HydrophobicContact CD1-CD1 4.09Å; F926-L931 HydrophobicContact CD1-CD1 4.32Å; F926-L931 HydrophobicContact CD2-CD1 4.42Å; F926-L931 HydrophobicContact CE1-CD1 3.57Å; F926-L931 HydrophobicContact CE2-CD1 3.67Å; F926-L931 HydrophobicContact CZ-CD1 3.19Å; P927-L931 HydrophobicContact CG-CD1 4.07Å; P927-L931 HydrophobicContact CG-CG 4.24Å; P927-L931 WeakPolarHBondContact O-CB 3.15Å; P927-L931 WeakPolarHBondContact O-CG 3.27Å; P927-L931 PolarHBondContact O-N 2.99Å; P927-L931 VanDerWaalsContact O-N 3.09Å; L931-E934 PolarHBondContact O-N 3.02Å; L931-L935 WeakPolarHBondContact O-CB 3.37Å; L931-L935 WeakPolarHBondContact O-CD1 3.34Å; L931-L935 WeakPolarHBondContact O-CG 3.38Å; L931-L935 PolarHBondContact O-N 3.38Å; L931-F963 HydrophobicContact CD1-CE1 4.29Å; L931-F963 HydrophobicContact CD1-CE2 4.39Å; L931-F963 HydrophobicContact CD1-CZ 3.89Å; L931-F963 HydrophobicContact CD2-CE1 4.32Å; L931-F963 HydrophobicContact CD2-CZ 4.04Å; L931-I966 HydrophobicContact CB-CD1 3.72Å; L931-I966 HydrophobicContact CD1-CD1 4.44Å
932	K	94.9	Very high	95.3	Very high	74 Å²	74	35 Å²	35	32%	0.322	20%	0.195	S	C	.	.	H	α-helix	trans	-61.5	-50.2	171.8	176.1	173.8	169.5	-171.8	0	111.1	Y800 F928 E934 L935 E936 I966	Y800-K932 WeakPolarHBondContact OH-CD 3.43Å; F928-K932 WeakPolarHBondContact O-CB 3.46Å; F928-K932 PolarHBondContact O-N 2.97Å; F928-K932 VanDerWaalsContact O-N 3.09Å; K932-E934 PolarHBondContact O-N 3.29Å; K932-L935 PolarHBondContact O-N 3.28Å; K932-L935 VanDerWaalsContact O-N 3.16Å; K932-E936 WeakPolarHBondContact CE-OE1 3.46Å; K932-E936 HydrophobicContact CG-CG 4.41Å; K932-E936 IonicContact NZ-OE1 3.89Å; K932-E936 WeakPolarHBondContact O-CG 3.46Å; K932-E936 PolarHBondContact O-N 3.26Å; K932-I966 HydrophobicContact CB-CG2 3.84Å; K932-I966 HydrophobicContact CG-CG2 4.27Å
933	E	94.9	Very high	95.2	Very high	115 Å²	115	35.2 Å²	35.2	54%	0.537	20%	0.196	S	C	.	.	H	α-helix	trans	-56.9	-41.1	178.2	-70.1	179.6	-175	0	0	111.8	D929 L930 K937	D929-E933 PolarHBondContact O-N 3.15Å; L930-E933 PolarHBondContact O-N 2.95Å; E933-K937 WeakPolarHBondContact O-CG 3.31Å; E933-K937 PolarHBondContact O-N 3.27Å
934	E	95.5	Very high	95.2	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.009	20%	0.196	C	C	.	.	H	α-helix	trans	-67.2	-42.6	177.6	-171.5	73.1	166.7	0	0	112.6	P876 E877 F893 T918 L930 L931 K932 E936 K937 Y938	P876-E934 WeakPolarHBondContact CB-OE2 3.39Å; E877-E934 PolarHBondContact N-OE1 2.67Å; F893-E934 HydrophobicContact CE1-CG 4.28Å; T918-E934 HydrophobicContact CG2-CG 3.98Å; T918-E934 PolarHBondContact OG1-OE1 3.14Å; L930-E934 PolarHBondContact O-N 3.28Å; L930-E934 VanDerWaalsContact O-N 3.1Å; L931-E934 PolarHBondContact O-N 3.02Å; K932-E934 PolarHBondContact O-N 3.29Å; E934-E936 VanDerWaalsContact C-N 3.3Å; E934-E936 PolarHBondContact O-N 2.88Å; E934-K937 WeakPolarHBondContact O-CB 3.27Å; E934-K937 PolarHBondContact O-N 2.95Å; E934-K937 WeakPolarHBondContact OE2-CD 3.47Å; E934-K937 WeakPolarHBondContact OE2-CE 3.44Å; E934-K937 IonicContact OE2-NZ 3.76Å; E934-K937 PolarHBondContact OE2-NZ 3.4Å; E934-Y938 WeakPolarHBondContact O-CD2 3.31Å
935	L	93.9	Very high	95.2	Very high	8 Å²	8	35.2 Å²	35.2	4%	0.042	20%	0.196	C	C	.	.	H	α-helix	trans	-64.9	-34.4	179.4	-74.6	165.6	0	0	0	112.6	F893 L931 K932 K937 Y938 L943 F963 I966 V967	F893-L935 HydrophobicContact CE2-CD2 3.74Å; F893-L935 HydrophobicContact CZ-CD2 3.52Å; F893-L935 HydrophobicContact CZ-CG 4.01Å; L931-L935 WeakPolarHBondContact O-CB 3.37Å; L931-L935 WeakPolarHBondContact O-CD1 3.34Å; L931-L935 WeakPolarHBondContact O-CG 3.38Å; L931-L935 PolarHBondContact O-N 3.38Å; K932-L935 PolarHBondContact O-N 3.28Å; K932-L935 VanDerWaalsContact O-N 3.16Å; L935-K937 VanDerWaalsContact C-N 3.28Å; L935-K937 PolarHBondContact O-N 3.19Å; L935-Y938 PolarHBondContact O-N 3.29Å; L935-L943 HydrophobicContact CD2-CD1 3.59Å; L935-L943 HydrophobicContact CD2-CD2 3.45Å; L935-L943 VanDerWaalsContact CD2-CD2 3.45Å; L935-L943 HydrophobicContact CD2-CG 4.11Å; L935-F963 HydrophobicContact CD1-CD1 4.01Å; L935-F963 HydrophobicContact CD1-CE1 4.15Å; L935-I966 HydrophobicContact CD1-CB 4.21Å; L935-I966 HydrophobicContact CD1-CD1 4.43Å; L935-I966 HydrophobicContact CD1-CG2 3.58Å; L935-V967 HydrophobicContact CD1-CG1 4.03Å
936	E	93.4	Very high	95.3	Very high	123 Å²	123	35.1 Å²	35.1	58%	0.575	20%	0.195	S	C	*	.	H	α-helix	trans	-69.1	-24.2	178.2	-74.1	177.3	172.2	0	0	112.9	K932 E934 Y938	K932-E936 WeakPolarHBondContact CE-OE1 3.46Å; K932-E936 HydrophobicContact CG-CG 4.41Å; K932-E936 IonicContact NZ-OE1 3.89Å; K932-E936 WeakPolarHBondContact O-CG 3.46Å; K932-E936 PolarHBondContact O-N 3.26Å; E934-E936 VanDerWaalsContact C-N 3.3Å; E934-E936 PolarHBondContact O-N 2.88Å; E936-Y938 PolarHBondContact O-N 2.9Å
937	K	94.8	Very high	95.3	Very high	97 Å²	97	35.1 Å²	35.1	42%	0.422	20%	0.195	S	C	.	.	H	α-helix	trans	-66	-26.1	174.3	-66	170.6	-165.8	167.7	0	113	E933 E934 L935 P939	E933-K937 WeakPolarHBondContact O-CG 3.31Å; E933-K937 PolarHBondContact O-N 3.27Å; E934-K937 WeakPolarHBondContact O-CB 3.27Å; E934-K937 PolarHBondContact O-N 2.95Å; E934-K937 WeakPolarHBondContact OE2-CD 3.47Å; E934-K937 WeakPolarHBondContact OE2-CE 3.44Å; E934-K937 IonicContact OE2-NZ 3.76Å; E934-K937 PolarHBondContact OE2-NZ 3.4Å; L935-K937 VanDerWaalsContact C-N 3.28Å; L935-K937 PolarHBondContact O-N 3.19Å; K937-P939 WeakPolarHBondContact O-CD 3.47Å
938	Y	94.5	Very high	95.4	Very high	5 Å²	5	35.4 Å²	35.4	2%	0.02	20%	0.196	C	C	.	.			trans	-128.4	66.8	-172.8	-48.8	-70.6	0	0	0	112	P885 V888 V891 A916 E934 L935 E936 G940 A941 R971	P885-Y938 HydrophobicContact CB-CD1 3.97Å; P885-Y938 HydrophobicContact CB-CE1 3.79Å; V888-Y938 HydrophobicContact CB-CD1 3.65Å; V888-Y938 HydrophobicContact CB-CE1 4Å; V888-Y938 HydrophobicContact CG1-CD1 3.75Å; V888-Y938 HydrophobicContact CG1-CE1 4.14Å; V888-Y938 HydrophobicContact CG1-CG 4.25Å; V888-Y938 HydrophobicContact CG2-CD1 3.84Å; V888-Y938 HydrophobicContact CG2-CE1 3.63Å; V891-Y938 HydrophobicContact CG1-CD2 4.43Å; V891-Y938 VanDerWaalsContact CG2-CB 3.49Å; V891-Y938 HydrophobicContact CG2-CD1 4.47Å; V891-Y938 HydrophobicContact CG2-CD2 3.43Å; V891-Y938 VanDerWaalsContact CG2-CD2 3.43Å; V891-Y938 HydrophobicContact CG2-CE2 4.24Å; V891-Y938 HydrophobicContact CG2-CG 3.55Å; A916-Y938 HydrophobicContact CB-CE1 4.28Å; A916-Y938 HydrophobicContact CB-CE2 4.07Å; E934-Y938 WeakPolarHBondContact O-CD2 3.31Å; L935-Y938 PolarHBondContact O-N 3.29Å; E936-Y938 PolarHBondContact O-N 2.9Å; Y938-G940 VanDerWaalsContact C-N 3.34Å; Y938-G940 PolarHBondContact O-N 3.34Å; Y938-A941 PolarHBondContact O-N 2.97Å; Y938-R971 PolarHBondContact O-NH2 3.31Å
939	P	89.8	Confident	95.5	Very high	98 Å²	98	35.3 Å²	35.3	64%	0.636	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-29.9	-171.3	26.4	-34.8	0	0	0	113.8	K937 R971	K937-P939 WeakPolarHBondContact O-CD 3.47Å; P939-R971 PolarHBondContact O-NH2 3.14Å
940	G	87.9	Confident	95.7	Very high	76 Å²	76	35.1 Å²	35.1	78%	0.784	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-1.1	-178	0	0	0	0	0	115.4	Y938	Y938-G940 VanDerWaalsContact C-N 3.34Å; Y938-G940 PolarHBondContact O-N 3.34Å
941	A	94.9	Very high	95.7	Very high	6 Å²	6	36.7 Å²	36.7	5%	0.05	20%	0.199	C	C	.	.	S	Bend	trans	-84.9	150	-174.3	0	0	0	0	0	112.8	V888 R889 V891 Y938 R971	V888-A941 HydrophobicContact CG1-CB 4.24Å; R889-A941 CarbonylContact O-C 3.05Å; R889-A941 VanDerWaalsContact O-CA 3.32Å; R889-A941 WeakPolarHBondContact O-CA 3.47Å; V891-A941 HydrophobicContact CG2-CB 3.89Å; Y938-A941 PolarHBondContact O-N 2.97Å; A941-R971 PolarHBondContact O-NH2 3.3Å
942	D	95.6	Very high	95.7	Very high	50 Å²	50	40.1 Å²	40.1	27%	0.267	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	135.2	162.8	-78.9	-23.7	0	0	0	110	R889 R890 V891	R889-D942 PolarHBondContact O-N 3.44Å; R890-D942 WeakPolarHBondContact CA-O 3.31Å; R890-D942 HydrophobicContact CB-CB 4.31Å; R890-D942 HydrophobicContact CG-CB 4.17Å; R890-D942 IonicContact CZ-OD2 3.12Å; R890-D942 IonicContact NE-OD2 3.68Å; R890-D942 IonicContact NH2-OD2 3.81Å; R890-D942 PolarHBondContact NH2-OD2 3.17Å; V891-D942 PolarHBondContact N-O 3.42Å
943	L	97.1	Very high	95.8	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	123.9	173	-52	179.6	0	0	0	109.2	V891 F893 L935 V967 R971 I973 W974	V891-L943 HydrophobicContact CB-CD2 4.39Å; F893-L943 HydrophobicContact CE2-CD2 4.28Å; L935-L943 HydrophobicContact CD2-CD1 3.59Å; L935-L943 HydrophobicContact CD2-CD2 3.45Å; L935-L943 VanDerWaalsContact CD2-CD2 3.45Å; L935-L943 HydrophobicContact CD2-CG 4.11Å; L943-V967 HydrophobicContact CD1-CG1 4.02Å; L943-R971 HydrophobicContact CD1-CB 4.28Å; L943-R971 VanDerWaalsContact CD2-NH2 3.33Å; L943-I973 HydrophobicContact CB-CD1 3.7Å; L943-W974 PolarHBondContact O-N 3.37Å
944	V	98.2	Very high	96	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130.5	-178.8	175.4	0	0	0	0	110.3	R890 V891 I892 F893 C946 W974 V976 F1009	R890-V944 HydrophobicContact CG-CG2 3.96Å; V891-V944 PolarHBondContact O-N 3.26Å; I892-V944 HydrophobicContact CG1-CB 4.35Å; F893-V944 PolarHBondContact N-O 2.91Å; V944-C946 HydrophobicContact CG1-CB 4.4Å; V944-W974 CarbonylContact C-O 3.38Å; V944-W974 WeakPolarHBondContact CA-O 3.45Å; V944-W974 HydrophobicContact CG2-CB 4.31Å; V944-V976 HydrophobicContact CG1-CB 3.93Å; V944-V976 HydrophobicContact CG1-CG2 3.54Å; V944-F1009 HydrophobicContact CG2-CD2 4.46Å; V944-F1009 HydrophobicContact CG2-CE2 3.59Å; V944-F1009 HydrophobicContact CG2-CZ 4.21Å
945	W	98.6	Very high	96.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	113.8	160.6	-179.4	-96.9	0	0	0	108.9	F893 T895 L920 Y955 Y956 V959 F963 I973 W974 V976	F893-W945 HydrophobicContact CB-CE3 3.7Å; F893-W945 HydrophobicContact CB-CZ3 4.01Å; T895-W945 HydrophobicContact CG2-CH2 4.1Å; T895-W945 HydrophobicContact CG2-CZ2 4Å; L920-W945 HydrophobicContact CB-CH2 4.39Å; L920-W945 HydrophobicContact CB-CZ3 4.4Å; L920-W945 HydrophobicContact CD2-CH2 4.04Å; L920-W945 HydrophobicContact CD2-CZ3 4.06Å; W945-Y955 HydrophobicContact CZ2-CD2 4.01Å; W945-Y955 AromaticContact CZ2-CG 3.88Å; W945-Y955 HydrophobicContact CZ2-CG 3.88Å; W945-Y956 HydrophobicContact CB-CD2 4.26Å; W945-Y956 AromaticContact CD1-CD2 3.76Å; W945-Y956 HydrophobicContact CG-CD2 4.2Å; W945-V959 HydrophobicContact CD2-CG2 3.54Å; W945-V959 HydrophobicContact CE3-CB 4.43Å; W945-V959 HydrophobicContact CE3-CG2 3.73Å; W945-V959 HydrophobicContact CG-CG2 3.97Å; W945-V959 HydrophobicContact CH2-CG1 4.06Å; W945-V959 HydrophobicContact CH2-CG2 4.37Å; W945-V959 HydrophobicContact CZ2-CG1 4.35Å; W945-V959 HydrophobicContact CZ2-CG2 4.22Å; W945-V959 HydrophobicContact CZ3-CB 4.44Å; W945-V959 HydrophobicContact CZ3-CG1 4.21Å; W945-V959 HydrophobicContact CZ3-CG2 4.13Å; W945-F963 HydrophobicContact CE3-CE2 4.01Å; W945-F963 HydrophobicContact CZ3-CE2 4.21Å; W945-I973 HydrophobicContact CB-CD1 4.37Å; W945-I973 HydrophobicContact CB-CG1 4.13Å; W945-W974 PolarHBondContact N-O 2.97Å; W945-V976 PolarHBondContact O-N 3.01Å
946	C	98.8	Very high	96.3	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125.1	176.4	-171.1	0	0	0	0	110.7	I892 F893 C894 L902 V944 V976	I892-C946 HydrophobicContact CG2-CB 3.47Å; I892-C946 VanDerWaalsContact CG2-CB 3.47Å; F893-C946 PolarHBondContact O-N 3.34Å; C894-C946 WeakPolarHBondContact CB-O 2.88Å; L902-C946 HydrophobicContact CD1-CB 4.19Å; L902-C946 HydrophobicContact CD2-CB 4.48Å; V944-C946 HydrophobicContact CG1-CB 4.4Å; C946-V976 VanDerWaalsContact CA-O 3.28Å; C946-V976 WeakPolarHBondContact CA-O 3.14Å; C946-V976 HydrophobicContact CB-CB 4.41Å
947	Q	98.5	Very high	96.4	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	157.8	176.8	75.1	176.9	41.1	0	0	111.3	E949 H950 S953 Y955 Y975 V976 G977	Q947-E949 WeakPolarHBondContact CB-OE2 3.32Å; Q947-E949 PolarHBondContact NE2-O 3.4Å; Q947-H950 PolarHBondContact NE2-O 2.77Å; Q947-H950 VanDerWaalsContact NE2-O 3.15Å; Q947-S953 PolarHBondContact NE2-O 2.98Å; Q947-Y955 HydrophobicContact CB-CD2 4.46Å; Q947-Y955 VanDerWaalsContact OE1-N 3.09Å; Q947-Y975 HydrophobicContact CG-CE2 3.95Å; Q947-V976 PolarHBondContact N-O 3.05Å; Q947-G977 VanDerWaalsContact O-CA 3.24Å; Q947-G977 WeakPolarHBondContact O-CA 3.32Å
948	E	97.9	Very high	96.6	Very high	5 Å²	5	27.3 Å²	27.3	2%	0.023	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-24.9	177	63.8	173.5	-174.4	0	0	112.8	G773 M774 K897 V898 R978 F999	G773-E948 VanDerWaalsContact CA-OE1 3.23Å; G773-E948 WeakPolarHBondContact CA-OE1 3.47Å; M774-E948 HydrophobicContact CB-CB 4.22Å; M774-E948 HydrophobicContact CB-CG 4Å; M774-E948 WeakPolarHBondContact CB-OE2 3.46Å; M774-E948 HydrophobicContact CG-CB 4.12Å; M774-E948 HydrophobicContact CG-CG 3.69Å; M774-E948 VanDerWaalsContact N-CD 3.33Å; M774-E948 PolarHBondContact N-OE1 3.29Å; K897-E948 VanDerWaalsContact CE-CD 3.5Å; K897-E948 VanDerWaalsContact CE-OE1 3.22Å; K897-E948 WeakPolarHBondContact CE-OE1 3.34Å; K897-E948 WeakPolarHBondContact CE-OE2 3.33Å; K897-E948 IonicContact NZ-OE1 3.72Å; K897-E948 IonicContact NZ-OE2 3.18Å; K897-E948 PolarHBondContact NZ-OE2 3.13Å; V898-E948 HydrophobicContact CB-CB 4.37Å; V898-E948 HydrophobicContact CG2-CB 4.23Å; E948-R978 VanDerWaalsContact O-CD 3.22Å; E948-R978 WeakPolarHBondContact O-CD 3.42Å; E948-R978 WeakPolarHBondContact O-CG 3.24Å; E948-R978 PolarHBondContact O-NH1 3.36Å; E948-F999 HydrophobicContact CB-CZ 4.35Å
949	E	98.4	Very high	96.7	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.019	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	157	178.5	-56.1	70.1	-151.1	0	0	111.2	H772 M774 Q947 Y955 Y975	H772-E949 IonicContact CE1-OE1 3.69Å; H772-E949 PolarHBondContact CE1-OE1 3.22Å; H772-E949 IonicContact NE2-OE1 2.74Å; H772-E949 PolarHBondContact NE2-OE1 2.9Å; M774-E949 HydrophobicContact CE-CB 4.2Å; M774-E949 HydrophobicContact CE-CG 3.86Å; Q947-E949 WeakPolarHBondContact CB-OE2 3.32Å; Q947-E949 PolarHBondContact NE2-O 3.4Å; E949-Y955 WeakPolarHBondContact OE2-CE2 3.25Å; E949-Y975 PolarHBondContact O-OH 3.45Å
950	H	98	Very high	97	Very high	21 Å²	21	25.1 Å²	25.1	10%	0.097	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	148.1	169.7	-68.4	-81.4	0	0	0	110.7	Q947 N952 S953 R978 E979 A981 A984	Q947-H950 PolarHBondContact NE2-O 2.77Å; Q947-H950 VanDerWaalsContact NE2-O 3.15Å; H950-N952 PolarHBondContact O-N 2.99Å; H950-N952 VanDerWaalsContact O-N 3.12Å; H950-S953 CarbonylContact O-C 3.56Å; H950-S953 WeakPolarHBondContact O-CA 3.41Å; H950-S953 PolarHBondContact O-N 3.37Å; H950-R978 CarbonylContact C-O 3.59Å; H950-E979 WeakPolarHBondContact CB-O 3.33Å; H950-E979 PolarHBondContact ND1-O 3.21Å; H950-A981 HydrophobicContact CB-CB 4.27Å; H950-A981 VanDerWaalsContact CE1-CB 3.44Å; H950-A981 WeakPolarHBondContact CE1-CB 3.29Å; H950-A981 VanDerWaalsContact ND1-CB 3.31Å; H950-A981 WeakPolarHBondContact ND1-CB 3.33Å; H950-A984 PolarHBondContact CD2-O 3.3Å; H950-A984 VanDerWaalsContact CD2-O 3.29Å
951	K	97.8	Very high	97.5	Very high	81 Å²	81	23.1 Å²	23.1	35%	0.352	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-33	-174	-175.2	176.4	179.4	179.3	0	114.9	S953 Y956 Y975 R978 P980	K951-S953 VanDerWaalsContact C-N 3.26Å; K951-Y956 HydrophobicContact CG-CD1 4.15Å; K951-Y956 HydrophobicContact CG-CE1 4.47Å; K951-Y975 VanDerWaalsContact CA-OH 3.25Å; K951-Y975 WeakPolarHBondContact CA-OH 3.23Å; K951-Y975 HydrophobicContact CB-CD1 4.41Å; K951-Y975 HydrophobicContact CB-CE1 3.66Å; K951-Y975 HydrophobicContact CB-CE2 4.12Å; K951-Y975 HydrophobicContact CD-CD1 3.84Å; K951-Y975 HydrophobicContact CD-CE1 3.89Å; K951-Y975 HydrophobicContact CD-CG 4.32Å; K951-Y975 HydrophobicContact CG-CD1 4.01Å; K951-Y975 HydrophobicContact CG-CD2 4.25Å; K951-Y975 HydrophobicContact CG-CE1 3.76Å; K951-Y975 HydrophobicContact CG-CE2 4.01Å; K951-Y975 HydrophobicContact CG-CG 4.24Å; K951-Y975 PolarHBondContact N-OH 2.92Å; K951-R978 PolarHBondContact N-O 3.1Å; K951-P980 HydrophobicContact CB-CG 4.02Å; K951-P980 HydrophobicContact CD-CG 4.33Å
952	N	97.2	Very high	97.6	Very high	72 Å²	72	23.6 Å²	23.6	39%	0.385	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	15.6	176.3	66.6	-51.7	0	0	0	113.3	H950 P980 A981	H950-N952 PolarHBondContact O-N 2.99Å; H950-N952 VanDerWaalsContact O-N 3.12Å; N952-P980 HydrophobicContact CB-CB 4.36Å; N952-P980 WeakPolarHBondContact OD1-CA 3.35Å; N952-A981 PolarHBondContact ND2-O 3.05Å; N952-A981 PolarHBondContact OD1-N 3.28Å; N952-A981 PolarHBondContact OD1-O 3.37Å
953	S	97.1	Very high	97.6	Very high	13 Å²	13	21.3 Å²	21.3	9%	0.091	11%	0.107	C	C	.	.	S	Bend	trans	-141.6	180	179.2	-54.7	0	0	0	0	108.7	Q947 H950 K951 Y955	Q947-S953 PolarHBondContact NE2-O 2.98Å; H950-S953 CarbonylContact O-C 3.56Å; H950-S953 WeakPolarHBondContact O-CA 3.41Å; H950-S953 PolarHBondContact O-N 3.37Å; K951-S953 VanDerWaalsContact C-N 3.26Å; S953-Y955 PolarHBondContact O-N 3.44Å
954	G	97.3	Very high	97.5	Very high	3 Å²	3	24.4 Å²	24.4	3%	0.031	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	-129.2	-179.1	0	0	0	0	0	111.1	E787	E787-G954 VanDerWaalsContact CA-O 3.25Å; E787-G954 WeakPolarHBondContact CA-O 3.49Å; E787-G954 WeakPolarHBondContact CB-O 3.23Å; E787-G954 PolarHBondContact N-O 3.2Å; E787-G954 PolarHBondContact OE2-N 2.93Å
955	Y	98.3	Very high	97.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-19.6	-162.7	-47.8	-82.2	0	0	0	113	H772 P786 L790 N821 L847 T895 I923 W945 Q947 E949 S953 D957 Y958 V959	H772-Y955 PolarHBondContact CD2-OH 3.16Å; H772-Y955 PolarHBondContact NE2-OH 2.99Å; H772-Y955 VanDerWaalsContact NE2-OH 3.15Å; P786-Y955 HydrophobicContact CB-CD1 4.3Å; P786-Y955 HydrophobicContact CB-CE1 3.63Å; P786-Y955 HydrophobicContact CG-CD1 4.44Å; P786-Y955 HydrophobicContact CG-CE1 3.77Å; P786-Y955 HydrophobicContact CG-CE2 4.4Å; L790-Y955 HydrophobicContact CD1-CD1 3.73Å; L790-Y955 HydrophobicContact CD1-CE1 4.46Å; N821-Y955 PolarHBondContact ND2-OH 3.39Å; L847-Y955 HydrophobicContact CD1-CE1 3.78Å; L847-Y955 WeakPolarHBondContact CD1-OH 3.44Å; T895-Y955 HydrophobicContact CG2-CD1 4.03Å; T895-Y955 HydrophobicContact CG2-CD2 3.42Å; T895-Y955 VanDerWaalsContact CG2-CD2 3.42Å; T895-Y955 HydrophobicContact CG2-CE1 3.92Å; T895-Y955 HydrophobicContact CG2-CE2 3.28Å; T895-Y955 HydrophobicContact CG2-CG 3.81Å; I923-Y955 HydrophobicContact CD1-CE1 4.39Å; I923-Y955 HydrophobicContact CG1-CD1 4.11Å; I923-Y955 HydrophobicContact CG1-CE1 4.27Å; I923-Y955 HydrophobicContact CG2-CD1 4.3Å; W945-Y955 HydrophobicContact CZ2-CD2 4.01Å; W945-Y955 AromaticContact CZ2-CG 3.88Å; W945-Y955 HydrophobicContact CZ2-CG 3.88Å; Q947-Y955 HydrophobicContact CB-CD2 4.46Å; Q947-Y955 VanDerWaalsContact OE1-N 3.09Å; E949-Y955 WeakPolarHBondContact OE2-CE2 3.25Å; S953-Y955 PolarHBondContact O-N 3.44Å; Y955-D957 PolarHBondContact O-N 3.18Å; Y955-Y958 WeakPolarHBondContact O-CB 3.47Å; Y955-Y958 PolarHBondContact O-N 2.9Å; Y955-V959 WeakPolarHBondContact O-CG2 3.41Å; Y955-V959 PolarHBondContact O-N 2.86Å
956	Y	97.7	Very high	97.3	Very high	13 Å²	13	26.2 Å²	26.2	5%	0.051	13%	0.128	C	C	.	.	H	α-helix	trans	-54	-48.9	-166.5	179.8	-116.9	0	0	0	113.5	W945 K951 Y958 V959 K960 Y975	W945-Y956 HydrophobicContact CB-CD2 4.26Å; W945-Y956 AromaticContact CD1-CD2 3.76Å; W945-Y956 HydrophobicContact CG-CD2 4.2Å; K951-Y956 HydrophobicContact CG-CD1 4.15Å; K951-Y956 HydrophobicContact CG-CE1 4.47Å; Y956-Y958 PolarHBondContact O-N 3.32Å; Y956-V959 PolarHBondContact O-N 3.02Å; Y956-K960 HydrophobicContact CD2-CB 4.34Å; Y956-K960 HydrophobicContact CE1-CD 3.98Å; Y956-K960 HydrophobicContact CE2-CB 4.08Å; Y956-K960 HydrophobicContact CE2-CD 4.22Å; Y956-K960 HydrophobicContact CE2-CG 4.28Å; Y956-K960 WeakPolarHBondContact O-CB 3.42Å; Y956-K960 PolarHBondContact O-N 3.49Å; Y956-K960 WeakPolarHBondContact OH-CD 3.25Å; Y956-K960 WeakPolarHBondContact OH-CE 3.2Å; Y956-Y975 AromaticContact CD1-CD2 3.79Å; Y956-Y975 HydrophobicContact CD1-CD2 3.79Å; Y956-Y975 HydrophobicContact CD1-CE2 4.35Å; Y956-Y975 HydrophobicContact CD1-CG 4.4Å; Y956-Y975 AromaticContact CD2-CD2 3.54Å; Y956-Y975 HydrophobicContact CD2-CD2 3.54Å; Y956-Y975 HydrophobicContact CD2-CE2 4.4Å; Y956-Y975 HydrophobicContact CD2-CG 4.35Å; Y956-Y975 HydrophobicContact CE1-CD2 4.12Å; Y956-Y975 HydrophobicContact CE1-CG 4.3Å; Y956-Y975 AromaticContact CE2-CD2 3.88Å; Y956-Y975 HydrophobicContact CE2-CD2 3.88Å; Y956-Y975 HydrophobicContact CE2-CG 4.25Å; Y956-Y975 AromaticContact CG-CD2 3.47Å; Y956-Y975 HydrophobicContact CG-CD2 3.47Å; Y956-Y975 VanDerWaalsContact CG-CD2 3.47Å; Y956-Y975 AromaticContact CG-CE2 4Å; Y956-Y975 HydrophobicContact CG-CE2 4Å; Y956-Y975 HydrophobicContact CG-CG 4.41Å
957	D	96.8	Very high	97.1	Very high	105 Å²	105	27 Å²	27	56%	0.561	13%	0.133	S	C	*	.	H	α-helix	trans	-68.5	-24.4	-177.6	-71.4	-26.8	0	0	0	112.8	Y955 P961	Y955-D957 PolarHBondContact O-N 3.18Å; D957-P961 WeakPolarHBondContact O-CD 3.2Å
958	Y	98	Very high	96.8	Very high	17 Å²	17	32.9 Å²	32.9	7%	0.067	17%	0.165	C	C	.	.	H	α-helix	trans	-79.3	-48.7	173.5	178.4	-92.8	0	0	0	112	L790 D795 I923 F926 Y955 Y956 P961 R962	L790-Y958 HydrophobicContact CB-CD1 4.49Å; L790-Y958 HydrophobicContact CB-CD2 3.59Å; L790-Y958 HydrophobicContact CB-CE2 4.21Å; L790-Y958 HydrophobicContact CB-CG 3.74Å; L790-Y958 HydrophobicContact CD1-CD1 4.26Å; L790-Y958 HydrophobicContact CD1-CG 4.1Å; L790-Y958 HydrophobicContact CD2-CD1 4Å; L790-Y958 HydrophobicContact CD2-CD2 4.17Å; L790-Y958 HydrophobicContact CD2-CE1 4Å; L790-Y958 HydrophobicContact CD2-CE2 4.14Å; L790-Y958 HydrophobicContact CD2-CG 4.08Å; L790-Y958 HydrophobicContact CG-CD1 4.47Å; L790-Y958 HydrophobicContact CG-CD2 4.35Å; L790-Y958 HydrophobicContact CG-CG 4.18Å; L790-Y958 WeakPolarHBondContact O-CD2 3.23Å; D795-Y958 PolarHBondContact OD1-OH 2.88Å; D795-Y958 PolarHBondContact OD2-OH 2.75Å; I923-Y958 HydrophobicContact CG2-CD1 3.76Å; I923-Y958 HydrophobicContact CG2-CE1 3.78Å; I923-Y958 VanDerWaalsContact O-CE1 3.31Å; I923-Y958 WeakPolarHBondContact O-CE1 3.21Å; F926-Y958 HydrophobicContact CB-CE1 4.44Å; F926-Y958 HydrophobicContact CD2-CE1 4.2Å; Y955-Y958 WeakPolarHBondContact O-CB 3.47Å; Y955-Y958 PolarHBondContact O-N 2.9Å; Y956-Y958 PolarHBondContact O-N 3.32Å; Y958-P961 WeakPolarHBondContact O-CD 3.43Å; Y958-R962 VanDerWaalsContact CZ-CZ 3.43Å; Y958-R962 VanDerWaalsContact CZ-NE 3.26Å; Y958-R962 WeakPolarHBondContact O-CD 3.45Å; Y958-R962 PolarHBondContact O-NH1 3.26Å; Y958-R962 PolarHBondContact OH-NE 3.36Å
959	V	97.7	Very high	96.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-77.7	-33.7	-173.1	-57.7	0	0	0	0	112.7	L920 I923 F926 W945 Y955 Y956 R962 F963	L920-V959 HydrophobicContact CD2-CG1 4.14Å; I923-V959 HydrophobicContact CG2-CG1 4.31Å; F926-V959 HydrophobicContact CE2-CB 4.13Å; F926-V959 HydrophobicContact CE2-CG1 4.05Å; W945-V959 HydrophobicContact CD2-CG2 3.54Å; W945-V959 HydrophobicContact CE3-CB 4.43Å; W945-V959 HydrophobicContact CE3-CG2 3.73Å; W945-V959 HydrophobicContact CG-CG2 3.97Å; W945-V959 HydrophobicContact CH2-CG1 4.06Å; W945-V959 HydrophobicContact CH2-CG2 4.37Å; W945-V959 HydrophobicContact CZ2-CG1 4.35Å; W945-V959 HydrophobicContact CZ2-CG2 4.22Å; W945-V959 HydrophobicContact CZ3-CB 4.44Å; W945-V959 HydrophobicContact CZ3-CG1 4.21Å; W945-V959 HydrophobicContact CZ3-CG2 4.13Å; Y955-V959 WeakPolarHBondContact O-CG2 3.41Å; Y955-V959 PolarHBondContact O-N 2.86Å; Y956-V959 PolarHBondContact O-N 3.02Å; V959-R962 PolarHBondContact O-N 2.75Å; V959-F963 HydrophobicContact CB-CD2 3.97Å; V959-F963 HydrophobicContact CB-CE2 4.1Å; V959-F963 HydrophobicContact CG2-CD2 4.32Å; V959-F963 HydrophobicContact CG2-CE2 4.46Å; V959-F963 WeakPolarHBondContact O-CD2 3.45Å; V959-F963 PolarHBondContact O-N 3Å
960	K	96.4	Very high	96.2	Very high	57 Å²	57	42.3 Å²	42.3	25%	0.248	22%	0.216	C	C	.	.	H	α-helix	trans	-53.4	-53.3	-176.4	176.6	-167.5	-174.2	174.2	0	113.8	Y956 R962 R964 I973	Y956-K960 HydrophobicContact CD2-CB 4.34Å; Y956-K960 HydrophobicContact CE1-CD 3.98Å; Y956-K960 HydrophobicContact CE2-CB 4.08Å; Y956-K960 HydrophobicContact CE2-CD 4.22Å; Y956-K960 HydrophobicContact CE2-CG 4.28Å; Y956-K960 WeakPolarHBondContact O-CB 3.42Å; Y956-K960 PolarHBondContact O-N 3.49Å; Y956-K960 WeakPolarHBondContact OH-CD 3.25Å; Y956-K960 WeakPolarHBondContact OH-CE 3.2Å; K960-R962 VanDerWaalsContact C-N 3.32Å; K960-R962 PolarHBondContact O-N 3.4Å; K960-R964 WeakPolarHBondContact O-CG 3.29Å; K960-R964 PolarHBondContact O-N 2.86Å; K960-R964 VanDerWaalsContact O-N 3.09Å; K960-I973 HydrophobicContact CB-CG2 4.36Å; K960-I973 HydrophobicContact CG-CG2 3.87Å
961	P	96.8	Very high	95.8	Very high	34 Å²	34	43.8 Å²	43.8	22%	0.221	22%	0.22	C	C	.	.	H	α-helix	trans	-63.9	-38.8	-180	25.9	-35.1	0	0	0	111.6	D957 Y958 F963 R964 T965	D957-P961 WeakPolarHBondContact O-CD 3.2Å; Y958-P961 WeakPolarHBondContact O-CD 3.43Å; P961-F963 PolarHBondContact O-N 3.26Å; P961-R964 WeakPolarHBondContact O-CA 3.42Å; P961-R964 VanDerWaalsContact O-CB 3.31Å; P961-R964 WeakPolarHBondContact O-CB 3.4Å; P961-R964 PolarHBondContact O-N 3.23Å; P961-R964 VanDerWaalsContact O-N 3.08Å; P961-T965 PolarHBondContact O-N 3.41Å; P961-T965 PolarHBondContact O-OG1 3.45Å; P961-T965 VanDerWaalsContact O-OG1 3.06Å
962	R	97.2	Very high	95.6	Very high	15 Å²	15	41.5 Å²	41.5	6%	0.057	21%	0.213	C	C	.	.	H	α-helix	trans	-66.2	-40	179.2	-63.2	166.9	172.8	65.3	9.1	113.1	D795 F926 F928 Y958 V959 K960 R964 T965 I966	D795-R962 PolarHBondContact O-NH2 3.36Å; D795-R962 IonicContact OD1-NH2 3.36Å; D795-R962 PolarHBondContact OD1-NH2 2.61Å; D795-R962 IonicContact OD2-CZ 3.97Å; D795-R962 IonicContact OD2-NE 2.87Å; D795-R962 PolarHBondContact OD2-NE 2.77Å; D795-R962 IonicContact OD2-NH2 3.66Å; D795-R962 PolarHBondContact OD2-NH2 3.24Å; F926-R962 HydrophobicContact CD1-CB 3.61Å; F926-R962 HydrophobicContact CD1-CG 4.25Å; F926-R962 HydrophobicContact CD2-CB 4.36Å; F926-R962 HydrophobicContact CE1-CB 3.44Å; F926-R962 VanDerWaalsContact CE1-CB 3.44Å; F926-R962 HydrophobicContact CE2-CB 4.24Å; F926-R962 HydrophobicContact CG-CB 4.07Å; F926-R962 HydrophobicContact CG-CG 4.35Å; F926-R962 HydrophobicContact CZ-CB 3.77Å; F928-R962 HydrophobicContact CE1-CB 4.18Å; F928-R962 HydrophobicContact CZ-CB 4.02Å; F928-R962 HydrophobicContact CZ-CG 4.02Å; Y958-R962 VanDerWaalsContact CZ-CZ 3.43Å; Y958-R962 VanDerWaalsContact CZ-NE 3.26Å; Y958-R962 WeakPolarHBondContact O-CD 3.45Å; Y958-R962 PolarHBondContact O-NH1 3.26Å; Y958-R962 PolarHBondContact OH-NE 3.36Å; V959-R962 PolarHBondContact O-N 2.75Å; K960-R962 VanDerWaalsContact C-N 3.32Å; K960-R962 PolarHBondContact O-N 3.4Å; R962-R964 VanDerWaalsContact C-N 3.33Å; R962-R964 PolarHBondContact O-N 2.95Å; R962-T965 WeakPolarHBondContact O-CB 3.31Å; R962-T965 PolarHBondContact O-N 3.39Å; R962-I966 WeakPolarHBondContact O-CG1 3.39Å; R962-I966 PolarHBondContact O-N 2.76Å; R962-I966 VanDerWaalsContact O-N 3.07Å
963	F	96.6	Very high	95.5	Very high	3 Å²	3	38.4 Å²	38.4	1%	0.013	20%	0.197	C	C	.	.	H	α-helix	trans	-61.3	-41.5	170.2	-91.4	-75.2	0	0	0	111.8	F893 F926 L931 L935 W945 V959 P961 T965 I966 V967 I973	F893-F963 HydrophobicContact CB-CZ 4.19Å; F893-F963 HydrophobicContact CD1-CE1 4.1Å; F893-F963 AromaticContact CD1-CZ 3.77Å; F893-F963 HydrophobicContact CD1-CZ 3.77Å; F893-F963 HydrophobicContact CD2-CE1 4.04Å; F893-F963 HydrophobicContact CD2-CZ 4.07Å; F893-F963 HydrophobicContact CE1-CE1 4.04Å; F893-F963 HydrophobicContact CE1-CZ 4.15Å; F893-F963 AromaticContact CE2-CE1 3.98Å; F893-F963 HydrophobicContact CE2-CE1 3.98Å; F893-F963 HydrophobicContact CE2-CZ 4.43Å; F893-F963 HydrophobicContact CG-CE1 4.11Å; F893-F963 AromaticContact CG-CZ 3.72Å; F893-F963 HydrophobicContact CG-CZ 3.72Å; F893-F963 AromaticContact CZ-CE1 3.98Å; F893-F963 HydrophobicContact CZ-CE1 3.98Å; F893-F963 HydrophobicContact CZ-CZ 4.47Å; F926-F963 HydrophobicContact CE2-CD2 4.46Å; F926-F963 HydrophobicContact CE2-CE2 4.23Å; F926-F963 AromaticContact CZ-CD2 3.88Å; F926-F963 HydrophobicContact CZ-CD2 3.88Å; F926-F963 AromaticContact CZ-CE2 3.87Å; F926-F963 HydrophobicContact CZ-CE2 3.87Å; F926-F963 HydrophobicContact CZ-CG 4.38Å; F926-F963 HydrophobicContact CZ-CZ 4.37Å; L931-F963 HydrophobicContact CD1-CE1 4.29Å; L931-F963 HydrophobicContact CD1-CE2 4.39Å; L931-F963 HydrophobicContact CD1-CZ 3.89Å; L931-F963 HydrophobicContact CD2-CE1 4.32Å; L931-F963 HydrophobicContact CD2-CZ 4.04Å; L935-F963 HydrophobicContact CD1-CD1 4.01Å; L935-F963 HydrophobicContact CD1-CE1 4.15Å; W945-F963 HydrophobicContact CE3-CE2 4.01Å; W945-F963 HydrophobicContact CZ3-CE2 4.21Å; V959-F963 HydrophobicContact CB-CD2 3.97Å; V959-F963 HydrophobicContact CB-CE2 4.1Å; V959-F963 HydrophobicContact CG2-CD2 4.32Å; V959-F963 HydrophobicContact CG2-CE2 4.46Å; V959-F963 WeakPolarHBondContact O-CD2 3.45Å; V959-F963 PolarHBondContact O-N 3Å; P961-F963 PolarHBondContact O-N 3.26Å; F963-T965 VanDerWaalsContact C-N 3.29Å; F963-T965 PolarHBondContact O-N 3.38Å; F963-I966 PolarHBondContact O-N 2.71Å; F963-V967 WeakPolarHBondContact O-CG2 3.44Å; F963-V967 PolarHBondContact O-N 3.11Å; F963-V967 VanDerWaalsContact O-N 3.1Å; F963-I973 HydrophobicContact CB-CB 4.32Å; F963-I973 HydrophobicContact CB-CG1 4.38Å; F963-I973 HydrophobicContact CB-CG2 4.16Å; F963-I973 HydrophobicContact CG-CG1 4.37Å
964	R	95.2	Very high	95.5	Very high	68 Å²	68	39.8 Å²	39.8	26%	0.257	20%	0.2	S	C	.	.	H	α-helix	trans	-61	-39.6	176	-77.4	175.4	156.9	-172.1	-10.8	111.7	K960 P961 R962 V967 N968 H969 F1014	K960-R964 WeakPolarHBondContact O-CG 3.29Å; K960-R964 PolarHBondContact O-N 2.86Å; K960-R964 VanDerWaalsContact O-N 3.09Å; P961-R964 WeakPolarHBondContact O-CA 3.42Å; P961-R964 VanDerWaalsContact O-CB 3.31Å; P961-R964 WeakPolarHBondContact O-CB 3.4Å; P961-R964 PolarHBondContact O-N 3.23Å; P961-R964 VanDerWaalsContact O-N 3.08Å; R962-R964 VanDerWaalsContact C-N 3.33Å; R962-R964 PolarHBondContact O-N 2.95Å; R964-V967 CarbonylContact O-C 3.53Å; R964-V967 PolarHBondContact O-N 2.71Å; R964-N968 PolarHBondContact O-N 2.85Å; R964-H969 PolarHBondContact O-N 2.9Å; R964-F1014 HydrophobicContact CG-CZ 4.41Å
965	T	95.8	Very high	95.5	Very high	16 Å²	16	41.3 Å²	41.3	10%	0.098	21%	0.205	C	C	.	.	H	α-helix	trans	-61.2	-46.7	174.3	-55	0	0	0	0	111.5	S797 Y800 F928 P961 R962 F963 V967 N968	S797-T965 PolarHBondContact O-OG1 2.75Å; Y800-T965 HydrophobicContact CD2-CG2 4.34Å; F928-T965 HydrophobicContact CE1-CG2 4.35Å; P961-T965 PolarHBondContact O-N 3.41Å; P961-T965 PolarHBondContact O-OG1 3.45Å; P961-T965 VanDerWaalsContact O-OG1 3.06Å; R962-T965 WeakPolarHBondContact O-CB 3.31Å; R962-T965 PolarHBondContact O-N 3.39Å; F963-T965 VanDerWaalsContact C-N 3.29Å; F963-T965 PolarHBondContact O-N 3.38Å; T965-V967 VanDerWaalsContact C-N 3.34Å; T965-V967 PolarHBondContact O-N 3.2Å; T965-N968 PolarHBondContact O-N 2.8Å; T965-N968 VanDerWaalsContact O-N 3.12Å
966	I	95.6	Very high	95.5	Very high	23 Å²	23	41.4 Å²	41.4	12%	0.118	21%	0.206	C	C	.	.	H	α-helix	trans	-58.3	-44.8	176.9	-64.4	167.3	0	0	0	111.7	Y800 F926 F928 L931 K932 L935 R962 F963 N968	Y800-I966 HydrophobicContact CE2-CG1 4.19Å; F926-I966 HydrophobicContact CE1-CD1 3.68Å; F926-I966 HydrophobicContact CZ-CD1 4.41Å; F928-I966 HydrophobicContact CD1-CD1 4.11Å; F928-I966 HydrophobicContact CD1-CG1 3.64Å; F928-I966 HydrophobicContact CE1-CG1 4.22Å; L931-I966 HydrophobicContact CB-CD1 3.72Å; L931-I966 HydrophobicContact CD1-CD1 4.44Å; K932-I966 HydrophobicContact CB-CG2 3.84Å; K932-I966 HydrophobicContact CG-CG2 4.27Å; L935-I966 HydrophobicContact CD1-CB 4.21Å; L935-I966 HydrophobicContact CD1-CD1 4.43Å; L935-I966 HydrophobicContact CD1-CG2 3.58Å; R962-I966 WeakPolarHBondContact O-CG1 3.39Å; R962-I966 PolarHBondContact O-N 2.76Å; R962-I966 VanDerWaalsContact O-N 3.07Å; F963-I966 PolarHBondContact O-N 2.71Å; I966-N968 PolarHBondContact O-N 3.44Å
967	V	93.9	Very high	95.5	Very high	17 Å²	17	41.2 Å²	41.2	10%	0.103	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	10.9	-178.6	-54.8	0	0	0	0	113.3	L935 L943 F963 R964 T965 H969 T970 R971	L935-V967 HydrophobicContact CD1-CG1 4.03Å; L943-V967 HydrophobicContact CD1-CG1 4.02Å; F963-V967 WeakPolarHBondContact O-CG2 3.44Å; F963-V967 PolarHBondContact O-N 3.11Å; F963-V967 VanDerWaalsContact O-N 3.1Å; R964-V967 CarbonylContact O-C 3.53Å; R964-V967 PolarHBondContact O-N 2.71Å; T965-V967 VanDerWaalsContact C-N 3.34Å; T965-V967 PolarHBondContact O-N 3.2Å; V967-H969 PolarHBondContact O-N 2.99Å; V967-H969 VanDerWaalsContact O-N 3.13Å; V967-T970 WeakPolarHBondContact O-CB 3.39Å; V967-T970 PolarHBondContact O-N 3.39Å; V967-T970 PolarHBondContact O-OG1 3.26Å; V967-R971 HydrophobicContact CB-CB 4.44Å; V967-R971 HydrophobicContact CG2-CB 4.26Å; V967-R971 WeakPolarHBondContact CG2-O 3.4Å
968	N	93.4	Very high	95.5	Very high	124 Å²	124	36.5 Å²	36.5	66%	0.663	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.5	40	-177.7	-168.4	30	0	0	0	113.2	R964 T965 I966 T970	R964-N968 PolarHBondContact O-N 2.85Å; T965-N968 PolarHBondContact O-N 2.8Å; T965-N968 VanDerWaalsContact O-N 3.12Å; I966-N968 PolarHBondContact O-N 3.44Å; N968-T970 HydrophobicContact CB-CG2 4.43Å; N968-T970 WeakPolarHBondContact O-CG2 3.36Å; N968-T970 PolarHBondContact O-N 3.47Å
969	H	91.3	Very high	95.5	Very high	104 Å²	104	40.7 Å²	40.7	48%	0.481	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	16.4	-177.4	-54.9	-97.7	0	0	0	115.3	R964 V967	R964-H969 PolarHBondContact O-N 2.9Å; V967-H969 PolarHBondContact O-N 2.99Å; V967-H969 VanDerWaalsContact O-N 3.13Å
970	T	92.4	Very high	95.5	Very high	103 Å²	103	44.2 Å²	44.2	63%	0.632	23%	0.226	S	C	*	.	S	Bend	trans	-82.8	-20.3	-177.2	62.8	0	0	0	0	113.6	V967 N968	V967-T970 WeakPolarHBondContact O-CB 3.39Å; V967-T970 PolarHBondContact O-N 3.39Å; V967-T970 PolarHBondContact O-OG1 3.26Å; N968-T970 HydrophobicContact CB-CG2 4.43Å; N968-T970 WeakPolarHBondContact O-CG2 3.36Å; N968-T970 PolarHBondContact O-N 3.47Å
971	R	90.4	Very high	95.5	Very high	52 Å²	52	43 Å²	43	20%	0.196	23%	0.226	C	C	.	.	S	Bend	trans	-133	142.5	-176.8	-67.6	166.6	69.9	-171.2	7.5	111.1	Y938 P939 A941 L943 V967	Y938-R971 PolarHBondContact O-NH2 3.31Å; P939-R971 PolarHBondContact O-NH2 3.14Å; A941-R971 PolarHBondContact O-NH2 3.3Å; L943-R971 HydrophobicContact CD1-CB 4.28Å; L943-R971 VanDerWaalsContact CD2-NH2 3.33Å; V967-R971 HydrophobicContact CB-CB 4.44Å; V967-R971 HydrophobicContact CG2-CB 4.26Å; V967-R971 WeakPolarHBondContact CG2-O 3.4Å
972	P	92.3	Very high	95.5	Very high	32 Å²	32	46.6 Å²	46.6	21%	0.208	26%	0.258	C	S	.	.			trans	-68.1	146.4	168.7	25.6	-31.6	0	0	0	112.2	W974 F1014	P972-W974 HydrophobicContact CB-CD2 4.14Å; P972-W974 HydrophobicContact CB-CH2 4.44Å; P972-W974 HydrophobicContact CB-CZ2 3.86Å; P972-W974 HydrophobicContact CG-CD2 4.5Å; P972-W974 HydrophobicContact CG-CZ2 3.68Å; P972-F1014 HydrophobicContact CB-CB 3.97Å; P972-F1014 HydrophobicContact CB-CD1 4.48Å; P972-F1014 HydrophobicContact CB-CD2 3.39Å; P972-F1014 HydrophobicContact CB-CE2 3.86Å; P972-F1014 HydrophobicContact CB-CG 3.71Å; P972-F1014 HydrophobicContact CG-CB 4.21Å; P972-F1014 HydrophobicContact CG-CD2 4.44Å; P972-F1014 HydrophobicContact CG-CG 4.3Å
973	I	95	Very high	95.4	Very high	8 Å²	8	48.1 Å²	48.1	4%	0.041	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	107.5	156.8	-176.1	68	0	0	0	107.8	F893 L943 W945 K960 F963	F893-I973 HydrophobicContact CD2-CD1 4.23Å; L943-I973 HydrophobicContact CB-CD1 3.7Å; W945-I973 HydrophobicContact CB-CD1 4.37Å; W945-I973 HydrophobicContact CB-CG1 4.13Å; K960-I973 HydrophobicContact CB-CG2 4.36Å; K960-I973 HydrophobicContact CG-CG2 3.87Å; F963-I973 HydrophobicContact CB-CB 4.32Å; F963-I973 HydrophobicContact CB-CG1 4.38Å; F963-I973 HydrophobicContact CB-CG2 4.16Å; F963-I973 HydrophobicContact CG-CG1 4.37Å
974	W	96.9	Very high	95.4	Very high	42 Å²	42	48.1 Å²	48.1	16%	0.159	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	141.6	-174.9	-63.9	109.6	0	0	0	111.5	L943 V944 W945 P972 F1009 K1012	L943-W974 PolarHBondContact O-N 3.37Å; V944-W974 CarbonylContact C-O 3.38Å; V944-W974 WeakPolarHBondContact CA-O 3.45Å; V944-W974 HydrophobicContact CG2-CB 4.31Å; W945-W974 PolarHBondContact N-O 2.97Å; P972-W974 HydrophobicContact CB-CD2 4.14Å; P972-W974 HydrophobicContact CB-CH2 4.44Å; P972-W974 HydrophobicContact CB-CZ2 3.86Å; P972-W974 HydrophobicContact CG-CD2 4.5Å; P972-W974 HydrophobicContact CG-CZ2 3.68Å; W974-F1009 HydrophobicContact CB-CD1 3.94Å; W974-F1009 HydrophobicContact CB-CD2 4.18Å; W974-F1009 HydrophobicContact CB-CE1 3.58Å; W974-F1009 HydrophobicContact CB-CE2 3.83Å; W974-F1009 HydrophobicContact CB-CG 4.25Å; W974-F1009 HydrophobicContact CB-CZ 3.53Å; W974-F1009 AromaticContact CD1-CD2 3.65Å; W974-F1009 AromaticContact CD1-CG 3.66Å; W974-F1009 HydrophobicContact CD2-CB 4.12Å; W974-F1009 AromaticContact CD2-CD1 3.5Å; W974-F1009 HydrophobicContact CD2-CD1 3.5Å; W974-F1009 VanDerWaalsContact CD2-CD1 3.5Å; W974-F1009 HydrophobicContact CD2-CD2 4.43Å; W974-F1009 HydrophobicContact CD2-CE1 4.04Å; W974-F1009 AromaticContact CD2-CG 3.75Å; W974-F1009 HydrophobicContact CD2-CG 3.75Å; W974-F1009 AromaticContact CE2-CG 3.87Å; W974-F1009 AromaticContact CE3-CD1 3.76Å; W974-F1009 HydrophobicContact CE3-CD1 3.76Å; W974-F1009 HydrophobicContact CE3-CE1 4.21Å; W974-F1009 HydrophobicContact CE3-CG 4.42Å; W974-F1009 HydrophobicContact CG-CB 4.35Å; W974-F1009 AromaticContact CG-CD1 3.59Å; W974-F1009 HydrophobicContact CG-CD1 3.59Å; W974-F1009 AromaticContact CG-CD2 3.84Å; W974-F1009 HydrophobicContact CG-CD2 3.84Å; W974-F1009 AromaticContact CG-CE1 3.79Å; W974-F1009 HydrophobicContact CG-CE1 3.79Å; W974-F1009 HydrophobicContact CG-CE2 4.02Å; W974-F1009 AromaticContact CG-CG 3.63Å; W974-F1009 HydrophobicContact CG-CG 3.63Å; W974-F1009 HydrophobicContact CG-CZ 4Å; W974-F1009 HydrophobicContact CZ2-CB 4.12Å; W974-F1009 HydrophobicContact CZ3-CD1 4.49Å; W974-F1009 AromaticContact NE1-CG 3.76Å; W974-K1012 HydrophobicContact CH2-CB 3.5Å; W974-K1012 VanDerWaalsContact CH2-CB 3.5Å; W974-K1012 HydrophobicContact CH2-CD 4.41Å; W974-K1012 HydrophobicContact CZ2-CB 4.13Å; W974-K1012 HydrophobicContact CZ3-CB 4.08Å; W974-K1012 HydrophobicContact CZ3-CD 4.21Å
975	Y	97.7	Very high	95.5	Very high	34 Å²	34	45.3 Å²	45.3	13%	0.133	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	132	174.9	177.7	-103.6	0	0	0	111	Q947 E949 K951 Y956 G977 R978	Q947-Y975 HydrophobicContact CG-CE2 3.95Å; E949-Y975 PolarHBondContact O-OH 3.45Å; K951-Y975 VanDerWaalsContact CA-OH 3.25Å; K951-Y975 WeakPolarHBondContact CA-OH 3.23Å; K951-Y975 HydrophobicContact CB-CD1 4.41Å; K951-Y975 HydrophobicContact CB-CE1 3.66Å; K951-Y975 HydrophobicContact CB-CE2 4.12Å; K951-Y975 HydrophobicContact CD-CD1 3.84Å; K951-Y975 HydrophobicContact CD-CE1 3.89Å; K951-Y975 HydrophobicContact CD-CG 4.32Å; K951-Y975 HydrophobicContact CG-CD1 4.01Å; K951-Y975 HydrophobicContact CG-CD2 4.25Å; K951-Y975 HydrophobicContact CG-CE1 3.76Å; K951-Y975 HydrophobicContact CG-CE2 4.01Å; K951-Y975 HydrophobicContact CG-CG 4.24Å; K951-Y975 PolarHBondContact N-OH 2.92Å; Y956-Y975 AromaticContact CD1-CD2 3.79Å; Y956-Y975 HydrophobicContact CD1-CD2 3.79Å; Y956-Y975 HydrophobicContact CD1-CE2 4.35Å; Y956-Y975 HydrophobicContact CD1-CG 4.4Å; Y956-Y975 AromaticContact CD2-CD2 3.54Å; Y956-Y975 HydrophobicContact CD2-CD2 3.54Å; Y956-Y975 HydrophobicContact CD2-CE2 4.4Å; Y956-Y975 HydrophobicContact CD2-CG 4.35Å; Y956-Y975 HydrophobicContact CE1-CD2 4.12Å; Y956-Y975 HydrophobicContact CE1-CG 4.3Å; Y956-Y975 AromaticContact CE2-CD2 3.88Å; Y956-Y975 HydrophobicContact CE2-CD2 3.88Å; Y956-Y975 HydrophobicContact CE2-CG 4.25Å; Y956-Y975 AromaticContact CG-CD2 3.47Å; Y956-Y975 HydrophobicContact CG-CD2 3.47Å; Y956-Y975 VanDerWaalsContact CG-CD2 3.47Å; Y956-Y975 AromaticContact CG-CE2 4Å; Y956-Y975 HydrophobicContact CG-CE2 4Å; Y956-Y975 HydrophobicContact CG-CG 4.41Å; Y975-G977 WeakPolarHBondContact OH-CA 3.41Å; Y975-R978 PolarHBondContact OH-N 3.16Å; Y975-R978 VanDerWaalsContact OH-N 3.16Å; Y975-R978 PolarHBondContact OH-O 3.32Å
976	V	98.4	Very high	95.6	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.018	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	125.8	164.8	178.7	0	0	0	0	109	V944 W945 C946 Q947 F999 T1002 A1003 F1009	V944-V976 HydrophobicContact CG1-CB 3.93Å; V944-V976 HydrophobicContact CG1-CG2 3.54Å; W945-V976 PolarHBondContact O-N 3.01Å; C946-V976 VanDerWaalsContact CA-O 3.28Å; C946-V976 WeakPolarHBondContact CA-O 3.14Å; C946-V976 HydrophobicContact CB-CB 4.41Å; Q947-V976 PolarHBondContact N-O 3.05Å; V976-F999 HydrophobicContact CG1-CB 3.96Å; V976-F999 WeakPolarHBondContact CG1-O 3.34Å; V976-T1002 HydrophobicContact CG1-CG2 4.38Å; V976-T1002 HydrophobicContact CG2-CG2 4.08Å; V976-A1003 HydrophobicContact CG1-CB 3.93Å; V976-F1009 HydrophobicContact CG2-CZ 3.77Å
977	G	97.4	Very high	95.6	Very high	9 Å²	9	48.5 Å²	48.5	9%	0.093	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.7	-159.3	-179.3	0	0	0	0	0	112.4	Q947 Y975	Q947-G977 VanDerWaalsContact O-CA 3.24Å; Q947-G977 WeakPolarHBondContact O-CA 3.32Å; Y975-G977 WeakPolarHBondContact OH-CA 3.41Å
978	R	98	Very high	95.7	Very high	5 Å²	5	51.7 Å²	51.7	2%	0.019	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	143.9	178.5	-66	-174.8	169.1	90.3	6.5	111	M774 E948 H950 K951 Y975 H992 F999	M774-R978 VanDerWaalsContact CB-NH1 3.34Å; E948-R978 VanDerWaalsContact O-CD 3.22Å; E948-R978 WeakPolarHBondContact O-CD 3.42Å; E948-R978 WeakPolarHBondContact O-CG 3.24Å; E948-R978 PolarHBondContact O-NH1 3.36Å; H950-R978 CarbonylContact C-O 3.59Å; K951-R978 PolarHBondContact N-O 3.1Å; Y975-R978 PolarHBondContact OH-N 3.16Å; Y975-R978 VanDerWaalsContact OH-N 3.16Å; Y975-R978 PolarHBondContact OH-O 3.32Å; R978-H992 PolarHBondContact NH2-CE1 3.43Å; R978-H992 PolarHBondContact NH2-ND1 3.45Å; R978-H992 VanDerWaalsContact NH2-ND1 3.15Å; R978-H992 PolarHBondContact NH2-O 3.32Å; R978-F999 HydrophobicContact CG-CD1 4.27Å; R978-F999 HydrophobicContact CG-CE1 4.42Å
979	E	96.7	Very high	95.8	Very high	105 Å²	105	52.7 Å²	52.7	49%	0.491	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-58.2	157.7	174.2	-69.2	-55.4	147.3	0	0	111.8	H950	H950-E979 WeakPolarHBondContact CB-O 3.33Å; H950-E979 PolarHBondContact ND1-O 3.21Å
980	P	97.5	Very high	96.1	Very high	75 Å²	75	53 Å²	53	49%	0.487	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-52.3	143.4	176.1	-23.2	30.4	0	0	0	113.4	K951 N952	K951-P980 HydrophobicContact CB-CG 4.02Å; K951-P980 HydrophobicContact CD-CG 4.33Å; N952-P980 HydrophobicContact CB-CB 4.36Å; N952-P980 WeakPolarHBondContact OD1-CA 3.35Å
981	A	96.5	Very high	96.4	Very high	31 Å²	31	51.1 Å²	51.1	26%	0.256	31%	0.309	S	S	.	.			trans	-144.9	156.1	175.1	0	0	0	0	0	112.4	H950 N952	H950-A981 HydrophobicContact CB-CB 4.27Å; H950-A981 VanDerWaalsContact CE1-CB 3.44Å; H950-A981 WeakPolarHBondContact CE1-CB 3.29Å; H950-A981 VanDerWaalsContact ND1-CB 3.31Å; H950-A981 WeakPolarHBondContact ND1-CB 3.33Å; N952-A981 PolarHBondContact ND2-O 3.05Å; N952-A981 PolarHBondContact OD1-N 3.28Å; N952-A981 PolarHBondContact OD1-O 3.37Å
982	A	96.3	Very high	96.7	Very high	109 Å²	109	49.3 Å²	49.3	90%	0.901	30%	0.302	S	S	*	.	S	Bend	trans	-79.9	-32.6	175.5	0	0	0	0	0	112.7
983	A	97.1	Very high	97	Very high	48 Å²	48	51.9 Å²	51.9	40%	0.397	31%	0.314	S	S	.	.	S	Bend	trans	-97.1	153.6	175.6	0	0	0	0	0	110.4	P779 A985	P779-A983 HydrophobicContact CB-CB 4.06Å; A983-A985 VanDerWaalsContact C-N 3.26Å; A983-A985 PolarHBondContact O-N 3.1Å
984	A	96	Very high	97.1	Very high	3 Å²	3	55.3 Å²	55.3	3%	0.025	34%	0.335	C	S	.	.	S	Bend	trans	-65.2	-27.9	-176.8	0	0	0	0	0	113.6	M774 P779 H950	M774-A984 WeakPolarHBondContact CE-O 3.41Å; P779-A984 WeakPolarHBondContact O-CB 3.37Å; H950-A984 PolarHBondContact CD2-O 3.3Å; H950-A984 VanDerWaalsContact CD2-O 3.29Å
985	A	97.6	Very high	97.1	Very high	9 Å²	9	54.3 Å²	54.3	7%	0.074	33%	0.334	C	S	.	.	S	Bend	trans	-155.3	162.5	174.5	0	0	0	0	0	111.6	M774 P779 S782 A983	M774-A985 HydrophobicContact SD-CB 3.84Å; P779-A985 WeakPolarHBondContact CB-O 3.13Å; S782-A985 WeakPolarHBondContact OG-CB 3.39Å; A983-A985 VanDerWaalsContact C-N 3.26Å; A983-A985 PolarHBondContact O-N 3.1Å
986	T	96.3	Very high	97.1	Very high	39 Å²	39	54 Å²	54	24%	0.239	34%	0.335	C	S	.	.			trans	-72	139.1	168.8	-179.6	0	0	0	0	111.9	N988 T991 H992	T986-N988 PolarHBondContact O-N 2.96Å; T986-N988 PolarHBondContact OG1-N 3.33Å; T986-N988 VanDerWaalsContact OG1-N 3.14Å; T986-T991 HydrophobicContact CG2-CG2 4.05Å; T986-H992 HydrophobicContact CG2-CB 3.76Å
987	G	96.3	Very high	97.1	Very high	67 Å²	67	62.1 Å²	62.1	69%	0.691	37%	0.365	S	S	*	.	S	Bend	trans	-77.1	-5.7	170.2	0	0	0	0	0	114.2
988	N	96.9	Very high	97.1	Very high	83 Å²	83	66.8 Å²	66.8	44%	0.444	38%	0.38	S	S	.	.			trans	-102.5	115.4	-179.7	-174.6	-65.9	0	0	0	111.4	T986 N990 T991 H992	T986-N988 PolarHBondContact O-N 2.96Å; T986-N988 PolarHBondContact OG1-N 3.33Å; T986-N988 VanDerWaalsContact OG1-N 3.14Å; N988-N990 VanDerWaalsContact C-N 3.31Å; N988-N990 PolarHBondContact O-N 2.89Å; N988-N990 WeakPolarHBondContact OD1-CA 3.32Å; N988-N990 WeakPolarHBondContact OD1-CB 3.42Å; N988-N990 PolarHBondContact OD1-N 3.43Å; N988-T991 WeakPolarHBondContact O-CB 3.46Å; N988-T991 PolarHBondContact O-N 3.08Å; N988-T991 PolarHBondContact OD1-N 3.1Å; N988-T991 PolarHBondContact OD1-OG1 2.96Å; N988-H992 PolarHBondContact O-N 2.6Å
989	K	95.9	Very high	97.1	Very high	146 Å²	146	66.6 Å²	66.6	64%	0.635	38%	0.38	S	S	*	.	H	α-helix	trans	-58.4	-37.8	-178.8	-172.7	171.9	-176.9	172.9	0	113.8	H992 L993	K989-H992 WeakPolarHBondContact O-CB 3.43Å; K989-H992 PolarHBondContact O-N 3.03Å; K989-L993 HydrophobicContact CG-CD1 4.48Å; K989-L993 WeakPolarHBondContact O-CG 3.29Å; K989-L993 PolarHBondContact O-N 3.31Å; K989-L993 VanDerWaalsContact O-N 3.08Å
990	N	97.4	Very high	97.2	Very high	109 Å²	109	62.3 Å²	62.3	58%	0.583	36%	0.36	S	S	*	.	H	α-helix	trans	-66.6	-45.6	177.5	-175.5	54.7	0	0	0	110.9	N988 H992 L993 V994	N988-N990 VanDerWaalsContact C-N 3.31Å; N988-N990 PolarHBondContact O-N 2.89Å; N988-N990 WeakPolarHBondContact OD1-CA 3.32Å; N988-N990 WeakPolarHBondContact OD1-CB 3.42Å; N988-N990 PolarHBondContact OD1-N 3.43Å; N990-H992 VanDerWaalsContact C-N 3.26Å; N990-H992 PolarHBondContact O-N 3.42Å; N990-L993 PolarHBondContact O-N 2.88Å; N990-L993 VanDerWaalsContact O-N 3.16Å; N990-V994 WeakPolarHBondContact O-CB 3.5Å; N990-V994 WeakPolarHBondContact O-CG2 3.45Å; N990-V994 PolarHBondContact O-N 3.33Å
991	T	97	Very high	97.2	Very high	64 Å²	64	62.6 Å²	62.6	39%	0.393	36%	0.357	S	S	.	.	H	α-helix	trans	-57.9	-40.4	174.4	-55.6	0	0	0	0	111.9	T986 N988 S995	T986-T991 HydrophobicContact CG2-CG2 4.05Å; N988-T991 WeakPolarHBondContact O-CB 3.46Å; N988-T991 PolarHBondContact O-N 3.08Å; N988-T991 PolarHBondContact OD1-N 3.1Å; N988-T991 PolarHBondContact OD1-OG1 2.96Å; T991-S995 WeakPolarHBondContact O-CB 3.45Å; T991-S995 PolarHBondContact O-N 3.39Å; T991-S995 PolarHBondContact O-OG 2.93Å
992	H	97.7	Very high	97.2	Very high	14 Å²	14	63.5 Å²	63.5	7%	0.065	36%	0.36	C	S	.	.	H	α-helix	trans	-58.2	-49.1	174.7	167.7	80.5	0	0	0	112.1	M774 G776 R978 T986 N988 K989 N990 S995 L996	M774-H992 PolarHBondContact O-CE1 3.07Å; G776-H992 PolarHBondContact N-CE1 2.81Å; R978-H992 PolarHBondContact NH2-CE1 3.43Å; R978-H992 PolarHBondContact NH2-ND1 3.45Å; R978-H992 VanDerWaalsContact NH2-ND1 3.15Å; R978-H992 PolarHBondContact NH2-O 3.32Å; T986-H992 HydrophobicContact CG2-CB 3.76Å; N988-H992 PolarHBondContact O-N 2.6Å; K989-H992 WeakPolarHBondContact O-CB 3.43Å; K989-H992 PolarHBondContact O-N 3.03Å; N990-H992 VanDerWaalsContact C-N 3.26Å; N990-H992 PolarHBondContact O-N 3.42Å; H992-S995 PolarHBondContact O-N 2.98Å; H992-L996 PolarHBondContact O-N 2.89Å
993	L	98	Very high	97.3	Very high	86 Å²	86	58.3 Å²	58.3	45%	0.45	32%	0.317	S	S	.	.	H	α-helix	trans	-67.8	-41.2	-179.9	-68.8	174.3	0	0	0	112.7	K989 N990 S995 L996 R997	K989-L993 HydrophobicContact CG-CD1 4.48Å; K989-L993 WeakPolarHBondContact O-CG 3.29Å; K989-L993 PolarHBondContact O-N 3.31Å; K989-L993 VanDerWaalsContact O-N 3.08Å; N990-L993 PolarHBondContact O-N 2.88Å; N990-L993 VanDerWaalsContact O-N 3.16Å; L993-S995 VanDerWaalsContact C-N 3.29Å; L993-S995 PolarHBondContact O-N 3.49Å; L993-L996 PolarHBondContact O-N 3.27Å; L993-R997 PolarHBondContact O-N 2.94Å
994	V	98	Very high	97.3	Very high	81 Å²	81	56.2 Å²	56.2	49%	0.491	30%	0.299	S	S	.	.	H	α-helix	trans	-61.1	-41.8	174.5	169.1	0	0	0	0	110.4	N990 R998	N990-V994 WeakPolarHBondContact O-CB 3.5Å; N990-V994 WeakPolarHBondContact O-CG2 3.45Å; N990-V994 PolarHBondContact O-N 3.33Å; V994-R998 WeakPolarHBondContact O-CB 3.5Å; V994-R998 PolarHBondContact O-N 3.04Å
995	S	96.8	Very high	97.4	Very high	20 Å²	20	59.8 Å²	59.8	14%	0.14	32%	0.317	C	S	.	.	H	α-helix	trans	-67.8	-40.4	178.5	-55.6	0	0	0	0	112	T991 H992 L993 R998 F999	T991-S995 WeakPolarHBondContact O-CB 3.45Å; T991-S995 PolarHBondContact O-N 3.39Å; T991-S995 PolarHBondContact O-OG 2.93Å; H992-S995 PolarHBondContact O-N 2.98Å; L993-S995 VanDerWaalsContact C-N 3.29Å; L993-S995 PolarHBondContact O-N 3.49Å; S995-R998 PolarHBondContact O-N 3.27Å; S995-F999 WeakPolarHBondContact O-CD1 3.34Å; S995-F999 PolarHBondContact O-N 3.38Å
996	L	97.6	Very high	97.3	Very high	27 Å²	27	60.4 Å²	60.4	14%	0.141	32%	0.319	C	S	.	.	H	α-helix	trans	-57.8	-54.4	173.7	173.9	58.5	0	0	0	110.9	H992 L993 R998 F999 L1000	H992-L996 PolarHBondContact O-N 2.89Å; L993-L996 PolarHBondContact O-N 3.27Å; L996-R998 VanDerWaalsContact C-N 3.34Å; L996-R998 PolarHBondContact O-N 3.3Å; L996-F999 HydrophobicContact CB-CE1 4.28Å; L996-F999 HydrophobicContact CD1-CE1 3.66Å; L996-F999 HydrophobicContact CD1-CE2 3.82Å; L996-F999 HydrophobicContact CD1-CZ 3.18Å; L996-F999 HydrophobicContact CG-CZ 4.44Å; L996-F999 PolarHBondContact O-N 3.18Å; L996-L1000 HydrophobicContact CD1-CD1 3.76Å; L996-L1000 HydrophobicContact CD1-CG 4.03Å; L996-L1000 HydrophobicContact CG-CD1 3.97Å; L996-L1000 WeakPolarHBondContact O-CG 3.48Å; L996-L1000 PolarHBondContact O-N 3.49Å
997	R	97.9	Very high	97.2	Very high	174 Å²	174	64.7 Å²	64.7	66%	0.657	34%	0.337	S	S	*	.	H	α-helix	trans	-56.2	-48.3	178.2	-174.5	177.7	-64.1	166.4	0	111.7	L993 F999 L1000 D1001	L993-R997 PolarHBondContact O-N 2.94Å; R997-F999 VanDerWaalsContact C-N 3.35Å; R997-F999 PolarHBondContact O-N 2.88Å; R997-L1000 PolarHBondContact O-N 3.34Å; R997-L1000 VanDerWaalsContact O-N 3.14Å; R997-D1001 PolarHBondContact O-N 3.02Å
998	R	97.8	Very high	97.1	Very high	108 Å²	108	62.3 Å²	62.3	41%	0.408	31%	0.311	S	S	.	.	H	α-helix	trans	-57.3	-43.8	-178.7	-177.4	-177.5	63.5	170.1	0.3	113.1	V994 S995 L996 T1002	V994-R998 WeakPolarHBondContact O-CB 3.5Å; V994-R998 PolarHBondContact O-N 3.04Å; S995-R998 PolarHBondContact O-N 3.27Å; L996-R998 VanDerWaalsContact C-N 3.34Å; L996-R998 PolarHBondContact O-N 3.3Å; R998-T1002 PolarHBondContact O-N 2.95Å; R998-T1002 VanDerWaalsContact O-N 3.15Å; R998-T1002 PolarHBondContact O-OG1 3.11Å
999	F	97.4	Very high	96.9	Very high	1 Å²	1	59.1 Å²	59.1	0%	0.004	29%	0.293	C	S	.	.	H	α-helix	trans	-75.5	-32.3	179.5	78	-118.9	0	0	0	111.8	V898 E948 V976 R978 S995 L996 R997 T1002 A1003	V898-F999 HydrophobicContact CG2-CE2 4.1Å; V898-F999 HydrophobicContact CG2-CZ 4.16Å; E948-F999 HydrophobicContact CB-CZ 4.35Å; V976-F999 HydrophobicContact CG1-CB 3.96Å; V976-F999 WeakPolarHBondContact CG1-O 3.34Å; R978-F999 HydrophobicContact CG-CD1 4.27Å; R978-F999 HydrophobicContact CG-CE1 4.42Å; S995-F999 WeakPolarHBondContact O-CD1 3.34Å; S995-F999 PolarHBondContact O-N 3.38Å; L996-F999 HydrophobicContact CB-CE1 4.28Å; L996-F999 HydrophobicContact CD1-CE1 3.66Å; L996-F999 HydrophobicContact CD1-CE2 3.82Å; L996-F999 HydrophobicContact CD1-CZ 3.18Å; L996-F999 HydrophobicContact CG-CZ 4.44Å; L996-F999 PolarHBondContact O-N 3.18Å; R997-F999 VanDerWaalsContact C-N 3.35Å; R997-F999 PolarHBondContact O-N 2.88Å; F999-T1002 PolarHBondContact O-N 2.97Å; F999-A1003 WeakPolarHBondContact O-CB 3.35Å; F999-A1003 PolarHBondContact O-N 3.38Å
1000	L	98.3	Very high	96.5	Very high	15 Å²	15	57.9 Å²	57.9	8%	0.079	29%	0.289	C	S	.	.	H	α-helix	trans	-63.7	-45.4	172.8	-71.5	176.6	0	0	0	111.4	D901 L902 E905 L996 R997 T1002 A1003 F1004	D901-L1000 HydrophobicContact CB-CD2 4.44Å; L902-L1000 HydrophobicContact CD2-CD2 3.82Å; L902-L1000 HydrophobicContact CG-CD2 4.47Å; E905-L1000 HydrophobicContact CB-CD2 4.38Å; E905-L1000 HydrophobicContact CG-CB 4.24Å; L996-L1000 HydrophobicContact CD1-CD1 3.76Å; L996-L1000 HydrophobicContact CD1-CG 4.03Å; L996-L1000 HydrophobicContact CG-CD1 3.97Å; L996-L1000 WeakPolarHBondContact O-CG 3.48Å; L996-L1000 PolarHBondContact O-N 3.49Å; R997-L1000 PolarHBondContact O-N 3.34Å; R997-L1000 VanDerWaalsContact O-N 3.14Å; L1000-T1002 PolarHBondContact O-N 3.31Å; L1000-A1003 WeakPolarHBondContact O-CB 3.4Å; L1000-A1003 PolarHBondContact O-N 3.17Å; L1000-A1003 VanDerWaalsContact O-N 3.09Å; L1000-F1004 WeakPolarHBondContact O-CD2 3.45Å; L1000-F1004 PolarHBondContact O-N 3.44Å; L1000-F1004 VanDerWaalsContact O-N 3.14Å
1001	D	97.7	Very high	95.9	Very high	80 Å²	80	56.8 Å²	56.8	43%	0.428	30%	0.304	S	S	.	.	H	α-helix	trans	-56.8	-40.4	174.2	-63.5	-19.2	0	0	0	110.8	R997 N1005	R997-D1001 PolarHBondContact O-N 3.02Å; D1001-N1005 VanDerWaalsContact O-CB 3.25Å; D1001-N1005 WeakPolarHBondContact O-CB 3.32Å; D1001-N1005 PolarHBondContact O-N 2.97Å
1002	T	97.6	Very high	95.3	Very high	51 Å²	51	59.3 Å²	59.3	31%	0.313	31%	0.309	S	S	.	.	H	α-helix	trans	-70	-40.1	176.9	-53.1	0	0	0	0	112	R890 V976 R998 F999 L1000 F1004 A1008	R890-T1002 PolarHBondContact NH1-O 2.96Å; V976-T1002 HydrophobicContact CG1-CG2 4.38Å; V976-T1002 HydrophobicContact CG2-CG2 4.08Å; R998-T1002 PolarHBondContact O-N 2.95Å; R998-T1002 VanDerWaalsContact O-N 3.15Å; R998-T1002 PolarHBondContact O-OG1 3.11Å; F999-T1002 PolarHBondContact O-N 2.97Å; L1000-T1002 PolarHBondContact O-N 3.31Å; T1002-F1004 VanDerWaalsContact C-N 3.29Å; T1002-F1004 PolarHBondContact O-N 3.16Å; T1002-A1008 HydrophobicContact CG2-CB 4.33Å
1003	A	97.8	Very high	94	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-60.4	-39.1	-179	0	0	0	0	0	111.9	R890 I892 L902 V976 F999 L1000	R890-A1003 VanDerWaalsContact CD-O 3.32Å; R890-A1003 WeakPolarHBondContact CD-O 3.28Å; R890-A1003 PolarHBondContact NH1-O 2.8Å; I892-A1003 HydrophobicContact CD1-CB 4.13Å; L902-A1003 HydrophobicContact CD2-CB 4.19Å; V976-A1003 HydrophobicContact CG1-CB 3.93Å; F999-A1003 WeakPolarHBondContact O-CB 3.35Å; F999-A1003 PolarHBondContact O-N 3.38Å; L1000-A1003 WeakPolarHBondContact O-CB 3.4Å; L1000-A1003 PolarHBondContact O-N 3.17Å; L1000-A1003 VanDerWaalsContact O-N 3.09Å
1004	F	98	Very high	92.7	Very high	4 Å²	4	67 Å²	67	2%	0.018	35%	0.351	C	S	.	.	H	α-helix	trans	-100.6	-8.6	-175.6	-69.4	-73.9	0	0	0	115	I892 L902 E905 R906 L911 V915 I917 L1000 T1002 L1006	I892-F1004 HydrophobicContact CD1-CE1 4Å; I892-F1004 HydrophobicContact CD1-CZ 4.01Å; L902-F1004 HydrophobicContact CB-CZ 4.36Å; L902-F1004 HydrophobicContact CD2-CE2 3.82Å; L902-F1004 HydrophobicContact CD2-CZ 4.14Å; L902-F1004 WeakPolarHBondContact O-CZ 3.41Å; E905-F1004 HydrophobicContact CB-CD2 4.02Å; E905-F1004 HydrophobicContact CB-CE2 3.71Å; E905-F1004 HydrophobicContact CG-CD2 3.6Å; E905-F1004 HydrophobicContact CG-CE2 3.85Å; E905-F1004 HydrophobicContact CG-CG 4.48Å; R906-F1004 HydrophobicContact CB-CD1 4.34Å; R906-F1004 HydrophobicContact CB-CE1 3.42Å; R906-F1004 VanDerWaalsContact CB-CE1 3.42Å; R906-F1004 HydrophobicContact CB-CZ 3.64Å; R906-F1004 HydrophobicContact CG-CE1 3.8Å; R906-F1004 HydrophobicContact CG-CZ 4.48Å; L911-F1004 HydrophobicContact CD1-CB 3.88Å; L911-F1004 HydrophobicContact CD1-CD1 3.85Å; L911-F1004 HydrophobicContact CD1-CG 4.29Å; V915-F1004 HydrophobicContact CB-CD1 4.48Å; V915-F1004 HydrophobicContact CB-CE1 4.24Å; V915-F1004 HydrophobicContact CG1-CD1 4.27Å; V915-F1004 HydrophobicContact CG1-CE1 3.79Å; V915-F1004 HydrophobicContact CG2-CD1 4.17Å; V915-F1004 HydrophobicContact CG2-CE1 4.42Å; I917-F1004 HydrophobicContact CD1-CZ 4.4Å; L1000-F1004 WeakPolarHBondContact O-CD2 3.45Å; L1000-F1004 PolarHBondContact O-N 3.44Å; L1000-F1004 VanDerWaalsContact O-N 3.14Å; T1002-F1004 VanDerWaalsContact C-N 3.29Å; T1002-F1004 PolarHBondContact O-N 3.16Å; F1004-L1006 PolarHBondContact O-N 3.08Å
1005	N	96.7	Very high	92.4	Very high	77 Å²	77	66.4 Å²	66.4	41%	0.412	34%	0.344	S	S	.	.			trans	-71.2	101.2	168	178.3	-0	0	0	0	110.9	R890 D1001 E1007 A1008	R890-N1005 VanDerWaalsContact CZ-O 3.31Å; R890-N1005 PolarHBondContact NH1-O 3.21Å; R890-N1005 PolarHBondContact NH2-O 2.82Å; D1001-N1005 VanDerWaalsContact O-CB 3.25Å; D1001-N1005 WeakPolarHBondContact O-CB 3.32Å; D1001-N1005 PolarHBondContact O-N 2.97Å; N1005-E1007 PolarHBondContact O-N 3.47Å; N1005-E1007 VanDerWaalsContact O-N 3.09Å; N1005-E1007 PolarHBondContact OD1-N 2.68Å; N1005-A1008 HydrophobicContact CB-CB 4.15Å; N1005-A1008 WeakPolarHBondContact O-CB 3.48Å; N1005-A1008 PolarHBondContact O-N 2.97Å
1006	L	95.4	Very high	92.2	Very high	22 Å²	22	68.8 Å²	68.8	12%	0.115	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-15.5	-178.3	-61.9	-178.2	0	0	0	114.2	R889 R890 L911 Q914 V915 F1004	R889-L1006 HydrophobicContact CB-CD1 4.48Å; R889-L1006 HydrophobicContact CB-CD2 4.36Å; R890-L1006 HydrophobicContact CB-CD2 4.15Å; R890-L1006 PolarHBondContact NH2-O 3.17Å; L911-L1006 HydrophobicContact CD2-CD1 4.42Å; Q914-L1006 HydrophobicContact CB-CD1 4.41Å; V915-L1006 HydrophobicContact CG2-CD2 3.94Å; F1004-L1006 PolarHBondContact O-N 3.08Å
1007	E	95.1	Very high	91.9	Very high	129 Å²	129	71.1 Å²	71.1	60%	0.603	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-2.7	178.2	-59.7	175.5	-177.3	0	0	112.6	N1005 F1009 E1010	N1005-E1007 PolarHBondContact O-N 3.47Å; N1005-E1007 VanDerWaalsContact O-N 3.09Å; N1005-E1007 PolarHBondContact OD1-N 2.68Å; E1007-F1009 PolarHBondContact O-N 2.96Å; E1007-E1010 PolarHBondContact O-N 2.74Å; E1007-E1010 VanDerWaalsContact O-N 3.09Å
1008	A	93.9	Very high	91.5	Very high	18 Å²	18	65.1 Å²	65.1	15%	0.149	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-19.2	-170.3	0	0	0	0	0	115.9	T1002 N1005 K1012	T1002-A1008 HydrophobicContact CG2-CB 4.33Å; N1005-A1008 HydrophobicContact CB-CB 4.15Å; N1005-A1008 WeakPolarHBondContact O-CB 3.48Å; N1005-A1008 PolarHBondContact O-N 2.97Å; A1008-K1012 VanDerWaalsContact O-CE 3.31Å; A1008-K1012 WeakPolarHBondContact O-CE 3.25Å; A1008-K1012 PolarHBondContact O-NZ 2.87Å
1009	F	92.8	Very high	91.1	Very high	15 Å²	15	62.4 Å²	62.4	7%	0.066	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	0.9	-178.7	-50.5	-62.7	0	0	0	113.7	V944 W974 V976 E1007 G1011 K1012	V944-F1009 HydrophobicContact CG2-CD2 4.46Å; V944-F1009 HydrophobicContact CG2-CE2 3.59Å; V944-F1009 HydrophobicContact CG2-CZ 4.21Å; W974-F1009 HydrophobicContact CB-CD1 3.94Å; W974-F1009 HydrophobicContact CB-CD2 4.18Å; W974-F1009 HydrophobicContact CB-CE1 3.58Å; W974-F1009 HydrophobicContact CB-CE2 3.83Å; W974-F1009 HydrophobicContact CB-CG 4.25Å; W974-F1009 HydrophobicContact CB-CZ 3.53Å; W974-F1009 AromaticContact CD1-CD2 3.65Å; W974-F1009 AromaticContact CD1-CG 3.66Å; W974-F1009 HydrophobicContact CD2-CB 4.12Å; W974-F1009 AromaticContact CD2-CD1 3.5Å; W974-F1009 HydrophobicContact CD2-CD1 3.5Å; W974-F1009 VanDerWaalsContact CD2-CD1 3.5Å; W974-F1009 HydrophobicContact CD2-CD2 4.43Å; W974-F1009 HydrophobicContact CD2-CE1 4.04Å; W974-F1009 AromaticContact CD2-CG 3.75Å; W974-F1009 HydrophobicContact CD2-CG 3.75Å; W974-F1009 AromaticContact CE2-CG 3.87Å; W974-F1009 AromaticContact CE3-CD1 3.76Å; W974-F1009 HydrophobicContact CE3-CD1 3.76Å; W974-F1009 HydrophobicContact CE3-CE1 4.21Å; W974-F1009 HydrophobicContact CE3-CG 4.42Å; W974-F1009 HydrophobicContact CG-CB 4.35Å; W974-F1009 AromaticContact CG-CD1 3.59Å; W974-F1009 HydrophobicContact CG-CD1 3.59Å; W974-F1009 AromaticContact CG-CD2 3.84Å; W974-F1009 HydrophobicContact CG-CD2 3.84Å; W974-F1009 AromaticContact CG-CE1 3.79Å; W974-F1009 HydrophobicContact CG-CE1 3.79Å; W974-F1009 HydrophobicContact CG-CE2 4.02Å; W974-F1009 AromaticContact CG-CG 3.63Å; W974-F1009 HydrophobicContact CG-CG 3.63Å; W974-F1009 HydrophobicContact CG-CZ 4Å; W974-F1009 HydrophobicContact CZ2-CB 4.12Å; W974-F1009 HydrophobicContact CZ3-CD1 4.49Å; W974-F1009 AromaticContact NE1-CG 3.76Å; V976-F1009 HydrophobicContact CG2-CZ 3.77Å; E1007-F1009 PolarHBondContact O-N 2.96Å; F1009-G1011 PolarHBondContact O-N 3.34Å; F1009-K1012 HydrophobicContact CD1-CD 4.21Å; F1009-K1012 PolarHBondContact O-N 3.27Å; F1009-K1012 VanDerWaalsContact O-N 3.17Å
1010	E	88.6	Confident	90.7	Very high	121 Å²	121	66.5 Å²	66.5	57%	0.565	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	132.1	177.1	-69.4	-174.9	-178	0	0	110.5	R889 E1007 K1012	R889-E1010 IonicContact NH2-OE1 3.73Å; E1007-E1010 PolarHBondContact O-N 2.74Å; E1007-E1010 VanDerWaalsContact O-N 3.09Å; E1010-K1012 PolarHBondContact O-N 3.29Å
1011	G	83.4	Confident	90.2	Very high	86 Å²	86	70.1 Å²	70.1	89%	0.887	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	2.2	-179.2	0	0	0	0	0	115.9	F1009	F1009-G1011 PolarHBondContact O-N 3.34Å
1012	K	84.4	Confident	89.6	Confident	117 Å²	117	69.4 Å²	69.4	51%	0.509	39%	0.387	S	S	.	.			trans	-81.8	133.5	173.2	-67.1	-173.8	-179.3	159.7	0	111.1	W974 A1008 F1009 E1010	W974-K1012 HydrophobicContact CH2-CB 3.5Å; W974-K1012 VanDerWaalsContact CH2-CB 3.5Å; W974-K1012 HydrophobicContact CH2-CD 4.41Å; W974-K1012 HydrophobicContact CZ2-CB 4.13Å; W974-K1012 HydrophobicContact CZ3-CB 4.08Å; W974-K1012 HydrophobicContact CZ3-CD 4.21Å; A1008-K1012 VanDerWaalsContact O-CE 3.31Å; A1008-K1012 WeakPolarHBondContact O-CE 3.25Å; A1008-K1012 PolarHBondContact O-NZ 2.87Å; F1009-K1012 HydrophobicContact CD1-CD 4.21Å; F1009-K1012 PolarHBondContact O-N 3.27Å; F1009-K1012 VanDerWaalsContact O-N 3.17Å; E1010-K1012 PolarHBondContact O-N 3.29Å
1013	T	71.5	Confident	88.9	Confident	139 Å²	139	70.9 Å²	70.9	85%	0.853	39%	0.393	S	S	*	.			trans	-85.2	135.4	174.6	50.8	0	0	0	0	110.9
1014	F	69.7	Low	88.1	Confident	123 Å²	123	77.4 Å²	77.4	54%	0.539	43%	0.429	S	S	.	.			trans	-92.3	0	177.2	169.9	-118.2	0	0	0	112.5	R964 P972	R964-F1014 HydrophobicContact CG-CZ 4.41Å; P972-F1014 HydrophobicContact CB-CB 3.97Å; P972-F1014 HydrophobicContact CB-CD1 4.48Å; P972-F1014 HydrophobicContact CB-CD2 3.39Å; P972-F1014 HydrophobicContact CB-CE2 3.86Å; P972-F1014 HydrophobicContact CB-CG 3.71Å; P972-F1014 HydrophobicContact CG-CB 4.21Å; P972-F1014 HydrophobicContact CG-CD2 4.44Å; P972-F1014 HydrophobicContact CG-CG 4.3Å

Retrieved 1,014 of 1,014 residues in 1156.3 ms (Link to these results)

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