A0A096NAX7_PAPAN Loading...

Guanylate cyclase

Receptor for the atrial natriuretic peptide NPPA/ANP and the brain natriuretic peptide NPPB/BNP which are potent vasoactive hormones playing a key role in cardiovascular homeostasis. Plays an essential role in the regulation of endothelial cell senescence and vascular aging. Upon activation by ANP or BNP, stimulates the production of cyclic guanosine monophosphate (cGMP) that promotes vascular tone and volume homeostasis by activation of protein kinase cGMP-dependent 1/PRKG1 and subsequently PRKAA1, thereby controlling blood pressure and maintaining cardiovascular homeostasis.

AlphaFold DB , UniProt , Accession A0A096NAX7, Species PAPAN (Papio anubis, Olive baboon), Gene NPR1, Length 1,061 aa.

						>A0A096NAX7_PAPAN|A0A096NAX7|NPR1
MLRPRRPAGSRLRLLLLLLLPPLLLLLRGSHAGNLTVAVVLPLANTSYPWSWARVGPAVELALARVKARPDLLPGWTVRTVLGSSENALGVCSDTAAPLAAVDLKWEHNPAAFLGPGCVYAAAPVGRFTAHWRVPLLTAGAPALGFGVKDEYALTTRAGPSYAKLGDFVAALHRRLGWERQALMLYAYRPGDEEHCFFLVEGLFMRVRDRLNITVDHLEFAEDDLSHYTRLLRTMPRKGRVIYICSSPDAFRTLMLLALEAGLCGEDYVFFHLDIFGQSLQGGQGPAPRRPWERGDGQDVSARQAFQAAKIITYKEPDNPEYLEFLKQLKHLAREQFNFTVEDGLVNTIPASFHDGLLLYIQAVTETLAHGGTVTDGENITQRMWNRSFQGVTGYLKIDSSGDRETDFSLWDMDPETGAFSVVLNYNGTSQELVAVSGRKLNWPLGYPPPDIPKCGFDNEDPACNQDHLSTLEVLALVGSLSLLSILIVSFFIYRKMQLEKELASELWRVRWEDVEPSSLERHLRSAGSRLTLSGRGSNYGSLLTTEGQFQVFAKTAYYKGNLVAVKRVNRKRIELTRKVLFELKHMRDVQNEHLTRFVGACTDPPNICILTEYCPRGSLQDILENESITLDWMFRYSLTNDIVKGMLFLHNGAICSHGNLKSSNCVVDGRFVLKITDYGLESFRDLDPEQGHTLYAKKLWTAPELLRMASPPVRGSQAGDIYSFGIILQEIALRSGVFHVEGLDLSPKEIIERVTRGEQPPFRPSLALQSHLEELGLLMQRCWAEDPQERPPFQQIRLTLRKFNRENSSNILDNLLSRMEQYANNLEELVEERTQAYLEEKRKAEALLYQILPHSVAEQLKRGETVQAEAFDSVTIYFSDIVGFTALSAESTPMQVVTLLNDLYTCFDAVIDNFDVYKVETIGDAYMVVSGLPVRNGRLHACEVARMALALLDAVRSFRIRHRPQEQLRLRIGIHTGPVCAGVVGLKMPRYCLFGDTVNTASRMESNGEALKIHLSSETKAVLEEFGGFELELRGDVEMKGKGKVRTYWLLGERGSSTRG
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.9	Very low	38	Very low	241 Å²	241	176.5 Å²	176.5	100%	1.187	90%	0.9	S	S	*	*				0	93.9	0	-77.8	-176.5	178.5	0	0	109.3
2	L	28.3	Very low	38.2	Very low	179 Å²	179	174.3 Å²	174.3	94%	0.937	89%	0.891	S	S	*	*			trans	-140.1	116.1	175.2	-85.2	160.5	0	0	0	109.2
3	R	35.3	Very low	38.4	Very low	248 Å²	248	178.6 Å²	178.6	94%	0.936	89%	0.889	S	S	*	*			trans	-72.9	152.1	176.2	-72.3	175.2	169.7	175.9	-3.9	110.9
4	P	41.2	Very low	38.7	Very low	129 Å²	129	176.1 Å²	176.1	84%	0.838	88%	0.879	S	S	*	*			trans	-105.5	142.3	159	31.9	-20.4	0	0	0	112.9
5	R	33.7	Very low	38.8	Very low	251 Å²	251	173.1 Å²	173.1	95%	0.947	87%	0.866	S	S	*	*			trans	-94.4	142.2	169.8	-87.6	179.2	167	174.2	-4.1	109.8
6	R	36.9	Very low	38.9	Very low	237 Å²	237	170.9 Å²	170.9	89%	0.894	86%	0.857	S	S	*	*			trans	-72.1	178.5	151.9	-71.4	-177.8	172.8	-178.2	-1.6	109.8
7	P	57.4	Low	39.4	Very low	123 Å²	123	169.2 Å²	169.2	80%	0.799	85%	0.851	S	S	*	*			cis	-136.7	-163	-2.7	24.1	3.1	0	0	0	113.3
8	A	35.1	Very low	39.9	Very low	108 Å²	108	167.3 Å²	167.3	89%	0.893	84%	0.843	S	S	*	*			trans	93.4	123	159.4	0	0	0	0	0	118.9
9	G	32.6	Very low	40.1	Very low	70 Å²	70	165.5 Å²	165.5	72%	0.722	84%	0.835	S	S	*	*			trans	163.7	33.3	172	0	0	0	0	0	117.4	R11	G9-R11 PolarHBondContact O-N 3.1Å; G9-R11 VanDerWaalsContact O-N 3.1Å
10	S	43.2	Very low	40.2	Very low	127 Å²	127	162.9 Å²	162.9	89%	0.888	82%	0.823	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	40.9	177.9	51.8	0	0	0	0	114.4
11	R	40	Very low	40.4	Very low	229 Å²	229	158.9 Å²	158.9	86%	0.864	81%	0.808	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.1	5.1	177.6	-80.6	-165.4	176.8	-171.7	-0.4	117	G9	G9-R11 PolarHBondContact O-N 3.1Å; G9-R11 VanDerWaalsContact O-N 3.1Å
12	L	40.7	Very low	40.8	Very low	150 Å²	150	151 Å²	151	79%	0.785	78%	0.775	S	S	*	*	S	Bend	trans	-105.2	-7.5	-178.3	-137.3	80.5	0	0	0	115.8
13	R	40.6	Very low	41.2	Very low	230 Å²	230	148.7 Å²	148.7	87%	0.868	76%	0.763	S	S	*	*	S	Bend	trans	-94.6	-12.7	-179.5	-80.8	-173	174.7	-175.6	-2	115.3
14	L	43.3	Very low	41.4	Very low	143 Å²	143	142.9 Å²	142.9	75%	0.749	75%	0.75	S	S	*	*	S	Bend	trans	-93.5	-17.3	179.8	-140.3	80.2	0	0	0	113.5
15	L	40.1	Very low	41.3	Very low	131 Å²	131	143.1 Å²	143.1	69%	0.686	74%	0.743	S	S	*	*	S	Bend	trans	-89	-19.4	-178.9	-127.2	91	0	0	0	113.9	L17	L15-L17 VanDerWaalsContact C-N 3.32Å
16	L	40.9	Very low	41.4	Very low	138 Å²	138	138.5 Å²	138.5	72%	0.723	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-11.2	179.2	-131.8	89.9	0	0	0	113.5
17	L	46.3	Very low	41.3	Very low	143 Å²	143	133.8 Å²	133.8	75%	0.749	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-4.1	-176.9	-103.3	140.7	0	0	0	114.1	L15	L15-L17 VanDerWaalsContact C-N 3.32Å
18	L	48.5	Very low	40.4	Very low	134 Å²	134	139.2 Å²	139.2	70%	0.702	73%	0.733	S	S	*	*	S	Bend	trans	-111.3	-3.4	-176.5	-87.8	153.9	0	0	0	114.7
19	L	43	Very low	40.3	Very low	133 Å²	133	136.6 Å²	136.6	70%	0.696	72%	0.717	S	S	*	*	S	Bend	trans	-114.1	1.9	-178.1	-80.7	163.8	0	0	0	115	P21 P22	L19-P21 VanDerWaalsContact C-CD 3.47Å; L19-P22 WeakPolarHBondContact O-CD 3.5Å
20	L	42.9	Very low	40.7	Very low	113 Å²	113	139 Å²	139	59%	0.592	72%	0.722	S	S	*	*	S	Bend	trans	-82.2	-16.8	171.7	-93.4	149.6	0	0	0	116.5
21	P	44.2	Very low	40.7	Very low	80 Å²	80	141.9 Å²	141.9	52%	0.519	72%	0.721	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72	-28.1	-178.6	-16	29.2	0	0	0	117.3	L19	L19-P21 VanDerWaalsContact C-CD 3.47Å
22	P	43.3	Very low	41.6	Very low	74 Å²	74	134.1 Å²	134.1	48%	0.481	71%	0.706	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.8	-13.6	-172.8	33.4	-31.7	0	0	0	114.5	L19	L19-P22 WeakPolarHBondContact O-CD 3.5Å
23	L	36.4	Very low	43.2	Very low	131 Å²	131	127.8 Å²	127.8	69%	0.686	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-22.8	177.7	-127.7	90.4	0	0	0	113.6
24	L	39.3	Very low	45.6	Very low	127 Å²	127	120.1 Å²	120.1	67%	0.665	65%	0.653	S	S	*	*	S	Bend	trans	-80.3	-17	173.3	-94.1	148.6	0	0	0	113
25	L	38.5	Very low	48	Very low	134 Å²	134	113.4 Å²	113.4	70%	0.702	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-14.3	174.2	-95.4	150.1	0	0	0	113.5
26	L	36.1	Very low	50.6	Low	154 Å²	154	108.4 Å²	108.4	81%	0.806	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	2.3	177.1	-83.9	150.5	0	0	0	113.8
27	L	35.9	Very low	53.3	Low	137 Å²	137	102 Å²	102	72%	0.717	56%	0.559	S	S	*	*			trans	-113.6	27.7	176.1	-87.8	159.2	0	0	0	113	G29	L27-G29 PolarHBondContact O-N 2.89Å
28	R	36.7	Very low	55.7	Low	237 Å²	237	95.1 Å²	95.1	89%	0.894	52%	0.524	S	S	*	.			trans	-75.2	59.4	157.8	-89.5	-174.9	174.5	179.9	-1.5	109.7	S30	R28-S30 PolarHBondContact O-N 2.92Å
29	G	33	Very low	58.1	Low	54 Å²	54	88.8 Å²	88.8	56%	0.557	49%	0.49	S	S	*	.			trans	-64.5	126.3	156.2	0	0	0	0	0	107.6	L27 H31	L27-G29 PolarHBondContact O-N 2.89Å; G29-H31 PolarHBondContact O-N 3.48Å
30	S	42	Very low	60.7	Low	119 Å²	119	82.4 Å²	82.4	83%	0.832	46%	0.457	S	S	*	.			trans	-56.1	94.8	175.6	53.6	0	0	0	0	111.2	R28 A32	R28-S30 PolarHBondContact O-N 2.92Å; S30-A32 PolarHBondContact O-N 2.73Å
31	H	42	Very low	63.3	Low	188 Å²	188	77 Å²	77	87%	0.87	43%	0.429	S	S	*	.			trans	-76.3	101	159.1	-80.1	-58.4	0	0	0	107.4	G29 G33	G29-H31 PolarHBondContact O-N 3.48Å; H31-G33 PolarHBondContact O-N 2.9Å
32	A	59	Low	65.7	Low	67 Å²	67	73.2 Å²	73.2	55%	0.554	40%	0.404	S	S	*	.			trans	-64.8	112	171	0	0	0	0	0	108.7	S30 G75	S30-A32 PolarHBondContact O-N 2.73Å; A32-G75 CarbonylContact C-O 3.45Å; A32-G75 VanDerWaalsContact CA-O 3.31Å; A32-G75 WeakPolarHBondContact CA-O 3.32Å
33	G	76.1	Confident	68.1	Low	16 Å²	16	72.7 Å²	72.7	17%	0.165	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	149.5	175.4	0	0	0	0	0	111.3	H31 G75 W76 T77	H31-G33 PolarHBondContact O-N 2.9Å; G33-G75 PolarHBondContact N-O 3.34Å; G33-W76 CarbonylContact O-C 3.59Å; G33-W76 VanDerWaalsContact O-CA 3.24Å; G33-W76 WeakPolarHBondContact O-CA 3.3Å; G33-T77 PolarHBondContact O-N 3.13Å
34	N	89.4	Confident	70.7	Confident	70 Å²	70	70 Å²	70	37%	0.374	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	125	172.2	-68.3	-28.9	0	0	0	109.4	W76 T77 R79	N34-W76 WeakPolarHBondContact O-CZ3 3.31Å; N34-T77 CarbonylContact C-O 3.49Å; N34-T77 WeakPolarHBondContact CA-O 3.48Å; N34-T77 PolarHBondContact OD1-OG1 2.94Å; N34-R79 PolarHBondContact ND2-NE 2.79Å; N34-R79 PolarHBondContact OD1-NE 3.41Å
35	L	93.6	Very high	73.2	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.005	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	102.3	169.7	-170.8	162	0	0	0	107.8	V37 L73 W76 T77 V78 R79 A111 Y360 V364 V374	L35-V37 HydrophobicContact CD2-CG2 3.54Å; L35-L73 HydrophobicContact CD1-CD1 4.31Å; L35-L73 HydrophobicContact CD1-CD2 4.13Å; L35-W76 HydrophobicContact CB-CE3 4.36Å; L35-T77 PolarHBondContact N-O 3.05Å; L35-V78 HydrophobicContact CD2-CG1 4.33Å; L35-V78 CarbonylContact O-C 3.34Å; L35-V78 WeakPolarHBondContact O-CA 3.31Å; L35-R79 PolarHBondContact O-N 3.28Å; L35-A111 HydrophobicContact CD2-CB 4.35Å; L35-A111 HydrophobicContact CG-CB 4.25Å; L35-Y360 HydrophobicContact CD1-CE1 4.34Å; L35-Y360 HydrophobicContact CD2-CE1 4.04Å; L35-V364 HydrophobicContact CD1-CG1 3.95Å; L35-V364 HydrophobicContact CD1-CG2 4.42Å; L35-V374 HydrophobicContact CD1-CB 4.38Å; L35-V374 HydrophobicContact CD1-CG1 4.18Å
36	T	95.9	Very high	75.8	Confident	27 Å²	27	62.4 Å²	62.4	17%	0.166	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	125.9	-179.9	-52.1	0	0	0	0	110.8	R79 V81 H108 P110 A111	T36-R79 CarbonylContact C-O 3.58Å; T36-R79 WeakPolarHBondContact CA-O 3.47Å; T36-V81 HydrophobicContact CG2-CG1 3.99Å; T36-V81 HydrophobicContact CG2-CG2 3.88Å; T36-H108 HydrophobicContact CG2-CB 4.27Å; T36-P110 HydrophobicContact CG2-CB 4.37Å; T36-A111 PolarHBondContact O-N 3.47Å
37	V	96.9	Very high	78.3	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.012	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	120.1	173.2	-179.5	0	0	0	0	108.6	L35 V78 R79 T80 V81 A112 L114	L35-V37 HydrophobicContact CD2-CG2 3.54Å; V37-V78 HydrophobicContact CG2-CG1 3.95Å; V37-R79 PolarHBondContact N-O 3.2Å; V37-T80 WeakPolarHBondContact O-CA 3.41Å; V37-V81 PolarHBondContact O-N 3.02Å; V37-A112 WeakPolarHBondContact CA-O 3.35Å; V37-L114 HydrophobicContact CG1-CB 3.91Å
38	A	97.8	Very high	80.8	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	118.7	176.3	0	0	0	0	0	110.4	V81 L104 P110 A112 F113 L114	A38-V81 HydrophobicContact CB-CG2 3.95Å; A38-L104 HydrophobicContact CB-CB 4.26Å; A38-L104 HydrophobicContact CB-CD1 4Å; A38-P110 HydrophobicContact CB-CB 3.57Å; A38-P110 HydrophobicContact CB-CG 3.6Å; A38-A112 PolarHBondContact N-O 2.94Å; A38-F113 HydrophobicContact CB-CD1 3.67Å; A38-F113 HydrophobicContact CB-CE1 3.59Å; A38-F113 HydrophobicContact CB-CG 4.26Å; A38-F113 HydrophobicContact CB-CZ 4.11Å; A38-F113 CarbonylContact O-C 3.26Å; A38-F113 VanDerWaalsContact O-CA 3.25Å; A38-F113 WeakPolarHBondContact O-CA 3.38Å; A38-L114 PolarHBondContact O-N 3.18Å
39	V	97.9	Very high	83.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	127.2	177.3	-174.7	0	0	0	0	108.8	L41 W52 T80 V81 L82 G83 L114	V39-L41 HydrophobicContact CG1-CB 4.21Å; V39-L41 HydrophobicContact CG1-CD1 3.82Å; V39-L41 HydrophobicContact CG1-CG 3.97Å; V39-W52 HydrophobicContact CB-CZ3 4.34Å; V39-W52 HydrophobicContact CG1-CE3 3.85Å; V39-W52 HydrophobicContact CG1-CH2 4.36Å; V39-W52 HydrophobicContact CG1-CZ3 3.58Å; V39-W52 HydrophobicContact CG2-CH2 4.18Å; V39-W52 HydrophobicContact CG2-CZ3 4.1Å; V39-T80 HydrophobicContact CG2-CG2 4.44Å; V39-V81 PolarHBondContact N-O 3.41Å; V39-L82 HydrophobicContact CB-CD2 3.77Å; V39-L82 HydrophobicContact CG1-CD2 4.36Å; V39-L82 HydrophobicContact CG2-CD2 3.84Å; V39-G83 PolarHBondContact O-N 3.22Å; V39-L114 WeakPolarHBondContact CA-O 3.22Å; V39-L114 HydrophobicContact CG2-CB 4.27Å; V39-L114 HydrophobicContact CG2-CD2 4.27Å
40	V	97.8	Very high	86.4	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	97	172.9	-175.9	0	0	0	0	108.2	G83 A97 A101 L104 F113 L114 P116	V40-G83 WeakPolarHBondContact CA-O 3.38Å; V40-A97 HydrophobicContact CG1-CB 4.14Å; V40-A101 HydrophobicContact CG2-CB 4.25Å; V40-L104 HydrophobicContact CG2-CD1 3.92Å; V40-F113 HydrophobicContact CG2-CD1 4.07Å; V40-F113 HydrophobicContact CG2-CE1 4.24Å; V40-L114 PolarHBondContact N-O 3.29Å; V40-P116 HydrophobicContact CB-CG 4.24Å; V40-P116 HydrophobicContact CG1-CG 3.98Å; V40-P116 WeakPolarHBondContact O-CA 3.48Å
41	L	96.9	Very high	89	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	168.7	-175.2	-74.7	177.2	0	0	0	111	V39 L43 W50 W52 V55 G83 S84 S85 F353	V39-L41 HydrophobicContact CG1-CB 4.21Å; V39-L41 HydrophobicContact CG1-CD1 3.82Å; V39-L41 HydrophobicContact CG1-CG 3.97Å; L41-L43 PolarHBondContact O-N 3.48Å; L41-L43 VanDerWaalsContact O-N 3.1Å; L41-W50 HydrophobicContact CD2-CB 4.32Å; L41-W52 HydrophobicContact CD1-CE3 4.21Å; L41-V55 HydrophobicContact CD1-CB 4Å; L41-V55 HydrophobicContact CD1-CG1 3.71Å; L41-V55 HydrophobicContact CD1-CG2 4.26Å; L41-G83 PolarHBondContact N-O 2.82Å; L41-S84 WeakPolarHBondContact O-CA 3.46Å; L41-S85 PolarHBondContact O-N 3.33Å; L41-F353 HydrophobicContact CD2-CZ 4.23Å
42	P	95.5	Very high	91.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	18%	0.175	C	C	.	.			trans	-65.1	109.6	170.9	-19.3	32.3	0	0	0	110.2	N45 Y48 W52 S85 E86	P42-N45 HydrophobicContact CB-CB 4.47Å; P42-Y48 HydrophobicContact CB-CD2 4Å; P42-Y48 HydrophobicContact CG-CD2 3.81Å; P42-Y48 HydrophobicContact CG-CE2 4.35Å; P42-Y48 HydrophobicContact CG-CG 4.35Å; P42-W52 VanDerWaalsContact O-CB 3.3Å; P42-W52 WeakPolarHBondContact O-CB 3.43Å; P42-W52 PolarHBondContact O-N 2.69Å; P42-S85 VanDerWaalsContact CD-OG 3.31Å; P42-S85 WeakPolarHBondContact CD-OG 3.45Å; P42-S85 VanDerWaalsContact N-OG 3.1Å; P42-E86 WeakPolarHBondContact CA-OE1 3.35Å; P42-E86 HydrophobicContact CB-CG 3.99Å; P42-E86 VanDerWaalsContact CB-OE1 3.24Å; P42-E86 WeakPolarHBondContact CB-OE1 3.33Å
43	L	94	Very high	93.2	Very high	62 Å²	62	24.5 Å²	24.5	33%	0.325	15%	0.153	S	C	.	.	S	Bend	trans	-85.1	-32.6	-177.6	-60.5	-174.6	0	0	0	112.7	L41 W52 L82 E86	L41-L43 PolarHBondContact O-N 3.48Å; L41-L43 VanDerWaalsContact O-N 3.1Å; L43-W52 HydrophobicContact CD2-CB 3.77Å; L43-W52 HydrophobicContact CD2-CD2 4.23Å; L43-W52 HydrophobicContact CD2-CG 3.71Å; L43-L82 HydrophobicContact CD1-CB 4.29Å; L43-L82 HydrophobicContact CD2-CB 4.47Å; L43-E86 PolarHBondContact N-OE1 2.81Å
44	A	91.2	Very high	94.1	Very high	76 Å²	76	25.3 Å²	25.3	63%	0.628	15%	0.151	S	C	*	.	S	Bend	trans	-105.4	-40.1	-176.2	0	0	0	0	0	112	T46 E86	A44-T46 PolarHBondContact O-N 3.19Å; A44-E86 PolarHBondContact N-OE1 3.42Å
45	N	91.9	Very high	94.5	Very high	39 Å²	39	22 Å²	22	21%	0.209	13%	0.133	C	C	.	.			trans	-77.1	115.8	-179	-170.4	-20.7	0	0	0	111.7	P42 S47 Y48 S51 E86 G90	P42-N45 HydrophobicContact CB-CB 4.47Å; N45-S47 WeakPolarHBondContact OD1-CB 3.42Å; N45-S47 PolarHBondContact OD1-N 2.89Å; N45-S47 PolarHBondContact OD1-OG 2.98Å; N45-Y48 HydrophobicContact CB-CD2 4.28Å; N45-Y48 HydrophobicContact CB-CE2 4.17Å; N45-Y48 WeakPolarHBondContact ND2-CE2 3.49Å; N45-S51 WeakPolarHBondContact O-CB 3.37Å; N45-E86 PolarHBondContact N-OE1 3.34Å; N45-E86 PolarHBondContact N-OE2 3.03Å; N45-G90 VanDerWaalsContact CB-O 3.25Å; N45-G90 WeakPolarHBondContact CB-O 3.45Å; N45-G90 PolarHBondContact ND2-O 2.9Å
46	T	91.3	Very high	94.6	Very high	61 Å²	61	22 Å²	22	37%	0.374	13%	0.133	S	C	.	.			trans	-95.1	4.5	-177	61.7	0	0	0	0	114.1	A44 A53 R54 F339	A44-T46 PolarHBondContact O-N 3.19Å; T46-A53 HydrophobicContact CG2-CB 3.72Å; T46-R54 PolarHBondContact O-NH1 3.08Å; T46-R54 PolarHBondContact O-NH2 3.22Å; T46-F339 HydrophobicContact CG2-CD2 3.98Å; T46-F339 HydrophobicContact CG2-CE2 4.23Å
47	S	88.3	Confident	94.6	Very high	79 Å²	79	20.7 Å²	20.7	55%	0.552	13%	0.125	S	C	*	.	S	Bend	trans	-71.9	-35.4	178.7	61.7	0	0	0	0	112.9	N45	N45-S47 WeakPolarHBondContact OD1-CB 3.42Å; N45-S47 PolarHBondContact OD1-N 2.89Å; N45-S47 PolarHBondContact OD1-OG 2.98Å
48	Y	90.4	Very high	94.6	Very high	18 Å²	18	20.6 Å²	20.6	7%	0.071	13%	0.125	C	C	.	.	S	Bend	trans	-71.4	144.7	-173.4	-62.1	-74.8	0	0	0	114.4	P42 N45 W50 S51 R54 E193	P42-Y48 HydrophobicContact CB-CD2 4Å; P42-Y48 HydrophobicContact CG-CD2 3.81Å; P42-Y48 HydrophobicContact CG-CE2 4.35Å; P42-Y48 HydrophobicContact CG-CG 4.35Å; N45-Y48 HydrophobicContact CB-CD2 4.28Å; N45-Y48 HydrophobicContact CB-CE2 4.17Å; N45-Y48 WeakPolarHBondContact ND2-CE2 3.49Å; Y48-W50 HydrophobicContact CD1-CZ2 4.15Å; Y48-W50 AromaticContact CD1-NE1 3.96Å; Y48-W50 AromaticContact CG-NE1 3.9Å; Y48-W50 PolarHBondContact O-N 3.09Å; Y48-W50 VanDerWaalsContact O-N 3.15Å; Y48-S51 WeakPolarHBondContact O-CB 3.41Å; Y48-S51 PolarHBondContact O-N 3.47Å; Y48-S51 PolarHBondContact O-OG 3.32Å; Y48-S51 VanDerWaalsContact O-OG 3.12Å; Y48-R54 PolarHBondContact O-NH1 2.89Å; Y48-E193 WeakPolarHBondContact CD1-OE1 3.46Å; Y48-E193 WeakPolarHBondContact CE1-OE1 3.46Å
49	P	91.9	Very high	94.5	Very high	17 Å²	17	20.6 Å²	20.6	11%	0.11	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-32	172.3	-27	35.7	0	0	0	114.1	F276 V346 I349	P49-F276 HydrophobicContact CB-CZ 4.44Å; P49-F276 HydrophobicContact CG-CE2 4.23Å; P49-F276 HydrophobicContact CG-CZ 4.05Å; P49-V346 HydrophobicContact CB-CG1 3.71Å; P49-V346 HydrophobicContact CG-CG1 4.01Å; P49-I349 HydrophobicContact CB-CB 4.08Å; P49-I349 HydrophobicContact CB-CG1 3.78Å; P49-I349 HydrophobicContact CB-CG2 4.24Å
50	W	94.9	Very high	94.4	Very high	6 Å²	6	24 Å²	24	2%	0.023	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	19.4	179.8	49.5	74.2	0	0	0	113.3	L41 Y48 V55 G117 C118 E193 H195 I349 F353	L41-W50 HydrophobicContact CD2-CB 4.32Å; Y48-W50 HydrophobicContact CD1-CZ2 4.15Å; Y48-W50 AromaticContact CD1-NE1 3.96Å; Y48-W50 AromaticContact CG-NE1 3.9Å; Y48-W50 PolarHBondContact O-N 3.09Å; Y48-W50 VanDerWaalsContact O-N 3.15Å; W50-V55 HydrophobicContact CB-CG2 4.35Å; W50-G117 VanDerWaalsContact CE2-C 3.46Å; W50-C118 HydrophobicContact CZ2-CB 4.36Å; W50-C118 PolarHBondContact NE1-SG 3.34Å; W50-E193 WeakPolarHBondContact CZ2-OE1 3.42Å; W50-E193 WeakPolarHBondContact CZ2-OE2 3.32Å; W50-H195 AromaticContact CH2-CE1 3.7Å; W50-I349 HydrophobicContact CB-CG2 4.08Å; W50-I349 HydrophobicContact CE3-CG2 4.35Å; W50-F353 HydrophobicContact CB-CE2 3.77Å; W50-F353 HydrophobicContact CB-CZ 4.33Å
51	S	95.1	Very high	94.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.148	C	C	.	.			trans	-60.3	147.4	173.4	65.6	0	0	0	0	111.2	N45 Y48 A53 R54 V55	N45-S51 WeakPolarHBondContact O-CB 3.37Å; Y48-S51 WeakPolarHBondContact O-CB 3.41Å; Y48-S51 PolarHBondContact O-N 3.47Å; Y48-S51 PolarHBondContact O-OG 3.32Å; Y48-S51 VanDerWaalsContact O-OG 3.12Å; S51-A53 PolarHBondContact O-N 3.37Å; S51-R54 PolarHBondContact O-N 3.25Å; S51-R54 PolarHBondContact OG-NH1 2.6Å; S51-V55 WeakPolarHBondContact O-CG2 3.44Å; S51-V55 PolarHBondContact O-N 3.21Å
52	W	96.1	Very high	94.2	Very high	30 Å²	30	25.4 Å²	25.4	11%	0.114	15%	0.148	C	C	.	.	H	α-helix	trans	-61.8	-30.3	-179.5	-173.8	-116.6	0	0	0	112.8	V39 L41 P42 L43 R54 V55 G56 V59 L82 F337	V39-W52 HydrophobicContact CB-CZ3 4.34Å; V39-W52 HydrophobicContact CG1-CE3 3.85Å; V39-W52 HydrophobicContact CG1-CH2 4.36Å; V39-W52 HydrophobicContact CG1-CZ3 3.58Å; V39-W52 HydrophobicContact CG2-CH2 4.18Å; V39-W52 HydrophobicContact CG2-CZ3 4.1Å; L41-W52 HydrophobicContact CD1-CE3 4.21Å; P42-W52 VanDerWaalsContact O-CB 3.3Å; P42-W52 WeakPolarHBondContact O-CB 3.43Å; P42-W52 PolarHBondContact O-N 2.69Å; L43-W52 HydrophobicContact CD2-CB 3.77Å; L43-W52 HydrophobicContact CD2-CD2 4.23Å; L43-W52 HydrophobicContact CD2-CG 3.71Å; W52-R54 PolarHBondContact O-N 2.81Å; W52-R54 VanDerWaalsContact O-N 3.16Å; W52-V55 HydrophobicContact CE3-CB 4.45Å; W52-V55 HydrophobicContact CE3-CG1 4.48Å; W52-V55 HydrophobicContact CZ3-CG1 4.41Å; W52-V55 PolarHBondContact O-N 3.18Å; W52-G56 WeakPolarHBondContact O-CA 3.21Å; W52-G56 PolarHBondContact O-N 3.26Å; W52-V59 HydrophobicContact CZ3-CG2 4.46Å; W52-L82 HydrophobicContact CH2-CD2 3.68Å; W52-L82 HydrophobicContact CZ2-CD1 4.02Å; W52-L82 HydrophobicContact CZ2-CD2 3.47Å; W52-L82 VanDerWaalsContact CZ2-CD2 3.47Å; W52-L82 HydrophobicContact CZ2-CG 4.42Å; W52-L82 HydrophobicContact CZ3-CD2 4.31Å; W52-F337 AromaticContact NE1-CE1 3.67Å
53	A	94.7	Very high	94.2	Very high	10 Å²	10	27.1 Å²	27.1	8%	0.083	16%	0.157	C	C	.	.	H	α-helix	trans	-59.8	-24.8	173.6	0	0	0	0	0	113.6	T46 S51 P57 F339	T46-A53 HydrophobicContact CG2-CB 3.72Å; S51-A53 PolarHBondContact O-N 3.37Å; A53-P57 WeakPolarHBondContact O-CG 3.37Å; A53-F339 HydrophobicContact CB-CB 3.85Å; A53-F339 HydrophobicContact CB-CD1 4.06Å; A53-F339 HydrophobicContact CB-CD2 4.17Å; A53-F339 HydrophobicContact CB-CG 3.74Å
54	R	94.9	Very high	94.2	Very high	34 Å²	34	27 Å²	27	13%	0.128	17%	0.165	C	C	.	.	H	α-helix	trans	-98.3	-43.2	172.7	-65.2	-173.6	-175.9	82.1	0.9	112.4	T46 Y48 S51 W52 F339 P350	T46-R54 PolarHBondContact O-NH1 3.08Å; T46-R54 PolarHBondContact O-NH2 3.22Å; Y48-R54 PolarHBondContact O-NH1 2.89Å; S51-R54 PolarHBondContact O-N 3.25Å; S51-R54 PolarHBondContact OG-NH1 2.6Å; W52-R54 PolarHBondContact O-N 2.81Å; W52-R54 VanDerWaalsContact O-N 3.16Å; R54-F339 HydrophobicContact CG-CD1 4.22Å; R54-F339 HydrophobicContact CG-CE1 3.65Å; R54-F339 HydrophobicContact CG-CZ 4.44Å; R54-P350 HydrophobicContact CB-CB 4.29Å; R54-P350 HydrophobicContact CB-CG 4.24Å; R54-P350 WeakPolarHBondContact O-CB 3.43Å
55	V	96.8	Very high	94.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-77.9	-37.2	-173.7	178	0	0	0	0	112.4	L41 W50 S51 W52 A58 V59 P350 F353	L41-V55 HydrophobicContact CD1-CB 4Å; L41-V55 HydrophobicContact CD1-CG1 3.71Å; L41-V55 HydrophobicContact CD1-CG2 4.26Å; W50-V55 HydrophobicContact CB-CG2 4.35Å; S51-V55 WeakPolarHBondContact O-CG2 3.44Å; S51-V55 PolarHBondContact O-N 3.21Å; W52-V55 HydrophobicContact CE3-CB 4.45Å; W52-V55 HydrophobicContact CE3-CG1 4.48Å; W52-V55 HydrophobicContact CZ3-CG1 4.41Å; W52-V55 PolarHBondContact O-N 3.18Å; V55-A58 WeakPolarHBondContact O-CB 3.24Å; V55-A58 PolarHBondContact O-N 2.85Å; V55-A58 VanDerWaalsContact O-N 3.15Å; V55-V59 HydrophobicContact CG1-CG2 3.95Å; V55-V59 WeakPolarHBondContact O-CG2 3.45Å; V55-V59 PolarHBondContact O-N 3.05Å; V55-P350 HydrophobicContact CG2-CB 4.32Å; V55-F353 HydrophobicContact CB-CD2 4.49Å; V55-F353 HydrophobicContact CG1-CB 3.84Å; V55-F353 HydrophobicContact CG1-CD1 4.16Å; V55-F353 HydrophobicContact CG1-CD2 3.92Å; V55-F353 HydrophobicContact CG1-CG 3.72Å; V55-F353 HydrophobicContact CG2-CD2 3.67Å; V55-F353 HydrophobicContact CG2-CE2 3.99Å; V55-F353 HydrophobicContact CG2-CG 4.33Å
56	G	95.9	Very high	94.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-53.5	-55	177.8	0	0	0	0	0	113.3	W52 A58 V59 E60	W52-G56 WeakPolarHBondContact O-CA 3.21Å; W52-G56 PolarHBondContact O-N 3.26Å; G56-A58 VanDerWaalsContact C-N 3.28Å; G56-A58 PolarHBondContact O-N 3.2Å; G56-V59 PolarHBondContact O-N 3.43Å; G56-V59 VanDerWaalsContact O-N 3.14Å; G56-E60 PolarHBondContact O-N 2.99Å
57	P	96.5	Very high	94.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.5	-37	176.3	-5.2	7.1	0	0	0	112.6	A53 V59 E60 L61 L329 L332 A333 F337	A53-P57 WeakPolarHBondContact O-CG 3.37Å; P57-V59 PolarHBondContact O-N 3.03Å; P57-E60 PolarHBondContact O-N 3.08Å; P57-L61 VanDerWaalsContact O-CG 3.32Å; P57-L61 WeakPolarHBondContact O-CG 3.34Å; P57-L61 PolarHBondContact O-N 3.36Å; P57-L329 HydrophobicContact CB-CD1 4.11Å; P57-L332 HydrophobicContact CB-CB 4Å; P57-L332 HydrophobicContact CB-CD2 3.77Å; P57-L332 HydrophobicContact CB-CG 3.9Å; P57-L332 WeakPolarHBondContact O-CD2 3.33Å; P57-A333 HydrophobicContact CB-CB 4.45Å; P57-A333 HydrophobicContact CG-CB 3.78Å; P57-F337 HydrophobicContact CB-CD2 4.07Å; P57-F337 HydrophobicContact CB-CE2 3.97Å; P57-F337 HydrophobicContact CG-CD2 3.52Å; P57-F337 HydrophobicContact CG-CE2 3.77Å; P57-F337 HydrophobicContact CG-CG 3.95Å; P57-F337 HydrophobicContact CG-CZ 4.38Å
58	A	96.7	Very high	94.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.7	-39.8	176.2	0	0	0	0	0	112.5	V55 G56 L61 A62 F325 L329 P350 H354	V55-A58 WeakPolarHBondContact O-CB 3.24Å; V55-A58 PolarHBondContact O-N 2.85Å; V55-A58 VanDerWaalsContact O-N 3.15Å; G56-A58 VanDerWaalsContact C-N 3.28Å; G56-A58 PolarHBondContact O-N 3.2Å; A58-L61 PolarHBondContact O-N 3.15Å; A58-A62 PolarHBondContact O-N 2.84Å; A58-A62 VanDerWaalsContact O-N 3.12Å; A58-F325 HydrophobicContact CB-CE2 4.22Å; A58-F325 HydrophobicContact CB-CZ 3.87Å; A58-L329 HydrophobicContact CB-CD1 3.84Å; A58-P350 HydrophobicContact CB-CB 3.91Å; A58-P350 WeakPolarHBondContact CB-O 3.43Å; A58-H354 HydrophobicContact CB-CB 4.25Å; A58-H354 PolarHBondContact O-CD2 3.37Å
59	V	96.3	Very high	94.5	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-65.1	-43.2	174.6	168.7	0	0	0	0	110.5	W52 V55 G56 P57 L61 A62 L63 T80 L114 L357	W52-V59 HydrophobicContact CZ3-CG2 4.46Å; V55-V59 HydrophobicContact CG1-CG2 3.95Å; V55-V59 WeakPolarHBondContact O-CG2 3.45Å; V55-V59 PolarHBondContact O-N 3.05Å; G56-V59 PolarHBondContact O-N 3.43Å; G56-V59 VanDerWaalsContact O-N 3.14Å; P57-V59 PolarHBondContact O-N 3.03Å; V59-L61 VanDerWaalsContact C-N 3.34Å; V59-L61 PolarHBondContact O-N 3.42Å; V59-A62 WeakPolarHBondContact O-CB 3.32Å; V59-A62 PolarHBondContact O-N 2.74Å; V59-A62 VanDerWaalsContact O-N 3.15Å; V59-L63 HydrophobicContact CG1-CD1 4.03Å; V59-L63 HydrophobicContact CG1-CG 4.27Å; V59-L63 VanDerWaalsContact O-CG 3.31Å; V59-L63 WeakPolarHBondContact O-CG 3.46Å; V59-L63 PolarHBondContact O-N 3.42Å; V59-T80 HydrophobicContact CG1-CG2 4.23Å; V59-L114 HydrophobicContact CG2-CD2 3.59Å; V59-L357 HydrophobicContact CG1-CD2 3.88Å
60	E	95.6	Very high	94.1	Very high	70 Å²	70	43.5 Å²	43.5	33%	0.327	23%	0.225	S	C	.	.	H	α-helix	trans	-62.1	-40.1	176.8	-74	-174.3	171	0	0	112.8	G56 P57 A62 L63 A64 L332 Q336	G56-E60 PolarHBondContact O-N 2.99Å; P57-E60 PolarHBondContact O-N 3.08Å; E60-A62 VanDerWaalsContact C-N 3.33Å; E60-A62 PolarHBondContact O-N 3.02Å; E60-L63 PolarHBondContact O-N 2.86Å; E60-A64 VanDerWaalsContact O-CB 3.32Å; E60-A64 WeakPolarHBondContact O-CB 3.45Å; E60-A64 PolarHBondContact O-N 3.06Å; E60-L332 HydrophobicContact CB-CD2 4.01Å; E60-Q336 PolarHBondContact OE2-OE1 2.76Å
61	L	95.8	Very high	93.8	Very high	31 Å²	31	47.7 Å²	47.7	16%	0.162	25%	0.248	C	C	.	.	H	α-helix	trans	-61.2	-41.6	173.3	-69.7	172.6	0	0	0	111.6	P57 A58 V59 A64 R65 F325 Q328 L332	P57-L61 VanDerWaalsContact O-CG 3.32Å; P57-L61 WeakPolarHBondContact O-CG 3.34Å; P57-L61 PolarHBondContact O-N 3.36Å; A58-L61 PolarHBondContact O-N 3.15Å; V59-L61 VanDerWaalsContact C-N 3.34Å; V59-L61 PolarHBondContact O-N 3.42Å; L61-A64 PolarHBondContact O-N 2.96Å; L61-R65 WeakPolarHBondContact O-CB 3.46Å; L61-R65 PolarHBondContact O-N 3.45Å; L61-F325 HydrophobicContact CD1-CD2 4.06Å; L61-F325 HydrophobicContact CD1-CE2 3.91Å; L61-Q328 HydrophobicContact CD1-CB 3.88Å; L61-Q328 HydrophobicContact CD2-CB 4.08Å; L61-L332 HydrophobicContact CD2-CD2 4.16Å; L61-L332 HydrophobicContact CG-CD2 3.97Å
62	A	95.4	Very high	93.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.2	-45.8	175.4	0	0	0	0	0	111.3	A58 V59 E60 R65 V66 H354 L357 L358	A58-A62 PolarHBondContact O-N 2.84Å; A58-A62 VanDerWaalsContact O-N 3.12Å; V59-A62 WeakPolarHBondContact O-CB 3.32Å; V59-A62 PolarHBondContact O-N 2.74Å; V59-A62 VanDerWaalsContact O-N 3.15Å; E60-A62 VanDerWaalsContact C-N 3.33Å; E60-A62 PolarHBondContact O-N 3.02Å; A62-R65 WeakPolarHBondContact O-CB 3.3Å; A62-R65 PolarHBondContact O-N 2.87Å; A62-V66 VanDerWaalsContact O-CG2 3.22Å; A62-V66 WeakPolarHBondContact O-CG2 3.48Å; A62-V66 PolarHBondContact O-N 3.2Å; A62-H354 HydrophobicContact CB-CB 4.48Å; A62-H354 VanDerWaalsContact CB-CD2 3.49Å; A62-H354 WeakPolarHBondContact CB-CD2 3.19Å; A62-H354 PolarHBondContact N-CD2 3.37Å; A62-L357 HydrophobicContact CB-CD2 4.11Å; A62-L358 HydrophobicContact CB-CD2 4.2Å; A62-L358 HydrophobicContact CB-CG 4.24Å
63	L	94.4	Very high	93.2	Very high	35 Å²	35	47.2 Å²	47.2	18%	0.183	25%	0.248	C	C	.	.	H	α-helix	trans	-66.3	-38.4	179.4	-66.7	-178.9	0	0	0	112.5	V59 E60 R65 V66 K67 V78 T80 L357	V59-L63 HydrophobicContact CG1-CD1 4.03Å; V59-L63 HydrophobicContact CG1-CG 4.27Å; V59-L63 VanDerWaalsContact O-CG 3.31Å; V59-L63 WeakPolarHBondContact O-CG 3.46Å; V59-L63 PolarHBondContact O-N 3.42Å; E60-L63 PolarHBondContact O-N 2.86Å; L63-R65 VanDerWaalsContact C-N 3.3Å; L63-R65 PolarHBondContact O-N 2.99Å; L63-V66 PolarHBondContact O-N 2.75Å; L63-K67 WeakPolarHBondContact O-CB 3.34Å; L63-K67 PolarHBondContact O-N 3.07Å; L63-V78 HydrophobicContact CD2-CB 3.74Å; L63-V78 HydrophobicContact CD2-CG1 3.57Å; L63-V78 HydrophobicContact CD2-CG2 4.29Å; L63-T80 HydrophobicContact CD1-CG2 4.09Å; L63-L357 HydrophobicContact CD2-CD2 4.01Å; L63-L357 HydrophobicContact CG-CD2 4.31Å
64	A	93.6	Very high	92.7	Very high	59 Å²	59	50.7 Å²	50.7	49%	0.488	27%	0.269	S	S	.	.	H	α-helix	trans	-61.4	-41.4	173.6	0	0	0	0	0	111.1	E60 L61 K67 A68	E60-A64 VanDerWaalsContact O-CB 3.32Å; E60-A64 WeakPolarHBondContact O-CB 3.45Å; E60-A64 PolarHBondContact O-N 3.06Å; L61-A64 PolarHBondContact O-N 2.96Å; A64-K67 PolarHBondContact O-N 3.29Å; A64-A68 PolarHBondContact O-N 3.49Å; A64-A68 VanDerWaalsContact O-N 3.08Å
65	R	93.3	Very high	92.2	Very high	127 Å²	127	51.5 Å²	51.5	48%	0.479	29%	0.289	S	S	.	.	H	α-helix	trans	-63.6	-41.3	175.3	-165.7	175.3	-153.7	166.7	5.1	112.4	L61 A62 L63 A68 R69	L61-R65 WeakPolarHBondContact O-CB 3.46Å; L61-R65 PolarHBondContact O-N 3.45Å; A62-R65 WeakPolarHBondContact O-CB 3.3Å; A62-R65 PolarHBondContact O-N 2.87Å; L63-R65 VanDerWaalsContact C-N 3.3Å; L63-R65 PolarHBondContact O-N 2.99Å; R65-A68 PolarHBondContact O-N 2.99Å; R65-R69 WeakPolarHBondContact O-CG 3.39Å; R65-R69 PolarHBondContact O-N 3.08Å
66	V	92.8	Very high	91.8	Very high	13 Å²	13	55.6 Å²	55.6	8%	0.079	30%	0.304	C	S	.	.	H	α-helix	trans	-66.1	-43.6	177.4	173.4	0	0	0	0	110.6	A62 L63 A68 R69 L72 L73 L358 I361	A62-V66 VanDerWaalsContact O-CG2 3.22Å; A62-V66 WeakPolarHBondContact O-CG2 3.48Å; A62-V66 PolarHBondContact O-N 3.2Å; L63-V66 PolarHBondContact O-N 2.75Å; V66-A68 PolarHBondContact O-N 3.4Å; V66-R69 PolarHBondContact O-N 3.14Å; V66-L72 HydrophobicContact CG1-CB 4.28Å; V66-L72 HydrophobicContact CG2-CD1 4.22Å; V66-L73 HydrophobicContact CG1-CD1 4.36Å; V66-L358 HydrophobicContact CG2-CD2 3.56Å; V66-I361 HydrophobicContact CB-CD1 4.38Å; V66-I361 HydrophobicContact CG1-CD1 4.25Å; V66-I361 HydrophobicContact CG1-CG2 4.07Å; V66-I361 HydrophobicContact CG2-CD1 3.51Å; V66-I361 HydrophobicContact CG2-CG2 4.09Å
67	K	90.9	Very high	91.5	Very high	191 Å²	191	58.9 Å²	58.9	83%	0.83	32%	0.324	S	S	*	.	H	α-helix	trans	-62.4	-31.2	177.2	-171.2	177.7	179.7	-178.4	0	112.8	L63 A64 R69	L63-K67 WeakPolarHBondContact O-CB 3.34Å; L63-K67 PolarHBondContact O-N 3.07Å; A64-K67 PolarHBondContact O-N 3.29Å; K67-R69 VanDerWaalsContact C-N 3.25Å; K67-R69 PolarHBondContact O-N 3.31Å
68	A	91.3	Very high	91.4	Very high	79 Å²	79	60.3 Å²	60.3	65%	0.653	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-8.5	175.9	0	0	0	0	0	113.9	A64 R65 V66 P70	A64-A68 PolarHBondContact O-N 3.49Å; A64-A68 VanDerWaalsContact O-N 3.08Å; R65-A68 PolarHBondContact O-N 2.99Å; V66-A68 PolarHBondContact O-N 3.4Å; A68-P70 WeakPolarHBondContact O-CD 3.49Å
69	R	90.7	Very high	91.2	Very high	110 Å²	110	67.2 Å²	67.2	42%	0.415	36%	0.359	S	S	.	.			trans	-116	93.1	-175.8	-77.2	-121.1	-60.5	-155.1	3.8	111	R65 V66 K67 D71 L72	R65-R69 WeakPolarHBondContact O-CG 3.39Å; R65-R69 PolarHBondContact O-N 3.08Å; V66-R69 PolarHBondContact O-N 3.14Å; K67-R69 VanDerWaalsContact C-N 3.25Å; K67-R69 PolarHBondContact O-N 3.31Å; R69-D71 WeakPolarHBondContact CA-OD1 3.46Å; R69-D71 VanDerWaalsContact CB-OD1 3.28Å; R69-D71 WeakPolarHBondContact CB-OD1 3.45Å; R69-D71 IonicContact CZ-OD2 3.03Å; R69-D71 IonicContact NE-OD1 3.56Å; R69-D71 IonicContact NE-OD2 3.4Å; R69-D71 PolarHBondContact NE-OD2 2.99Å; R69-D71 IonicContact NH2-OD2 2.92Å; R69-D71 PolarHBondContact O-N 3.15Å; R69-D71 VanDerWaalsContact O-N 3.13Å; R69-L72 HydrophobicContact CB-CB 4.39Å; R69-L72 HydrophobicContact CB-CD1 3.94Å; R69-L72 HydrophobicContact CB-CG 4.04Å; R69-L72 PolarHBondContact O-N 3.37Å
70	P	84.8	Confident	91.1	Very high	117 Å²	117	69.9 Å²	69.9	76%	0.76	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-17.1	-178.5	-19.7	31.8	0	0	0	114.3	A68 L72	A68-P70 WeakPolarHBondContact O-CD 3.49Å; P70-L72 VanDerWaalsContact C-N 3.3Å
71	D	88.9	Confident	91.2	Very high	94 Å²	94	67.8 Å²	67.8	50%	0.503	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-24.1	174.1	56.3	-62.1	0	0	0	113.1	R69	R69-D71 WeakPolarHBondContact CA-OD1 3.46Å; R69-D71 VanDerWaalsContact CB-OD1 3.28Å; R69-D71 WeakPolarHBondContact CB-OD1 3.45Å; R69-D71 IonicContact CZ-OD2 3.03Å; R69-D71 IonicContact NE-OD1 3.56Å; R69-D71 IonicContact NE-OD2 3.4Å; R69-D71 PolarHBondContact NE-OD2 2.99Å; R69-D71 IonicContact NH2-OD2 2.92Å; R69-D71 PolarHBondContact O-N 3.15Å; R69-D71 VanDerWaalsContact O-N 3.13Å
72	L	88.4	Confident	91.2	Very high	15 Å²	15	70.1 Å²	70.1	8%	0.079	38%	0.379	C	S	.	.	S	Bend	trans	-91.2	131.6	178.8	-64.9	-179	0	0	0	110.8	V66 R69 P70 I361	V66-L72 HydrophobicContact CG1-CB 4.28Å; V66-L72 HydrophobicContact CG2-CD1 4.22Å; R69-L72 HydrophobicContact CB-CB 4.39Å; R69-L72 HydrophobicContact CB-CD1 3.94Å; R69-L72 HydrophobicContact CB-CG 4.04Å; R69-L72 PolarHBondContact O-N 3.37Å; P70-L72 VanDerWaalsContact C-N 3.3Å; L72-I361 HydrophobicContact CB-CG2 4.31Å; L72-I361 HydrophobicContact CD1-CG2 4.34Å
73	L	88.8	Confident	91.2	Very high	5 Å²	5	70.5 Å²	70.5	3%	0.026	38%	0.383	C	S	.	.	S	Bend	trans	52.9	60.6	177.3	-65.1	174.7	0	0	0	114.3	L35 V66 G75 W76 V78 I361 V364 T365 L368	L35-L73 HydrophobicContact CD1-CD1 4.31Å; L35-L73 HydrophobicContact CD1-CD2 4.13Å; V66-L73 HydrophobicContact CG1-CD1 4.36Å; L73-G75 PolarHBondContact O-N 3.01Å; L73-W76 HydrophobicContact CB-CB 4.16Å; L73-W76 PolarHBondContact O-N 2.97Å; L73-V78 HydrophobicContact CD1-CG2 3.49Å; L73-V78 VanDerWaalsContact CD1-CG2 3.49Å; L73-I361 HydrophobicContact CD1-CB 4.46Å; L73-I361 HydrophobicContact CD1-CG1 4.18Å; L73-I361 HydrophobicContact CD1-CG2 3.72Å; L73-I361 HydrophobicContact CG-CG2 3.84Å; L73-V364 HydrophobicContact CD2-CB 3.95Å; L73-V364 HydrophobicContact CD2-CG1 3.5Å; L73-V364 VanDerWaalsContact CD2-CG1 3.5Å; L73-T365 PolarHBondContact N-OG1 3Å; L73-L368 HydrophobicContact CD2-CD1 4.17Å
74	P	85.2	Confident	91.3	Very high	83 Å²	83	70.8 Å²	70.8	54%	0.539	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	116.8	-177.8	24.8	-34	0	0	0	111.4
75	G	83.8	Confident	91.4	Very high	52 Å²	52	68 Å²	68	54%	0.536	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	11.2	-180	0	0	0	0	0	115.2	A32 G33 L73	A32-G75 CarbonylContact C-O 3.45Å; A32-G75 VanDerWaalsContact CA-O 3.31Å; A32-G75 WeakPolarHBondContact CA-O 3.32Å; G33-G75 PolarHBondContact N-O 3.34Å; L73-G75 PolarHBondContact O-N 3.01Å
76	W	89	Confident	91.4	Very high	86 Å²	86	63.1 Å²	63.1	33%	0.326	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	147	177	-67.8	81.3	0	0	0	112	G33 N34 L35 L73 V374	G33-W76 CarbonylContact O-C 3.59Å; G33-W76 VanDerWaalsContact O-CA 3.24Å; G33-W76 WeakPolarHBondContact O-CA 3.3Å; N34-W76 WeakPolarHBondContact O-CZ3 3.31Å; L35-W76 HydrophobicContact CB-CE3 4.36Å; L73-W76 HydrophobicContact CB-CB 4.16Å; L73-W76 PolarHBondContact O-N 2.97Å; W76-V374 HydrophobicContact CD2-CG1 3.88Å; W76-V374 HydrophobicContact CE3-CG1 3.95Å; W76-V374 HydrophobicContact CE3-CG2 4.33Å; W76-V374 HydrophobicContact CH2-CG1 4.09Å; W76-V374 HydrophobicContact CH2-CG2 3.67Å; W76-V374 HydrophobicContact CZ2-CG1 4Å; W76-V374 HydrophobicContact CZ2-CG2 4.32Å; W76-V374 HydrophobicContact CZ3-CG1 4.06Å; W76-V374 HydrophobicContact CZ3-CG2 3.68Å
77	T	90.1	Very high	91.3	Very high	68 Å²	68	65 Å²	65	42%	0.417	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	134.4	173.1	61	0	0	0	0	110.5	G33 N34 L35	G33-T77 PolarHBondContact O-N 3.13Å; N34-T77 CarbonylContact C-O 3.49Å; N34-T77 WeakPolarHBondContact CA-O 3.48Å; N34-T77 PolarHBondContact OD1-OG1 2.94Å; L35-T77 PolarHBondContact N-O 3.05Å
78	V	92.9	Very high	91.2	Very high	31 Å²	31	61.3 Å²	61.3	19%	0.188	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	132.5	179.8	-174.8	0	0	0	0	109.7	L35 V37 L63 L73 I361	L35-V78 HydrophobicContact CD2-CG1 4.33Å; L35-V78 CarbonylContact O-C 3.34Å; L35-V78 WeakPolarHBondContact O-CA 3.31Å; V37-V78 HydrophobicContact CG2-CG1 3.95Å; L63-V78 HydrophobicContact CD2-CB 3.74Å; L63-V78 HydrophobicContact CD2-CG1 3.57Å; L63-V78 HydrophobicContact CD2-CG2 4.29Å; L73-V78 HydrophobicContact CD1-CG2 3.49Å; L73-V78 VanDerWaalsContact CD1-CG2 3.49Å; V78-I361 HydrophobicContact CG2-CD1 4.26Å
79	R	93.5	Very high	91	Very high	145 Å²	145	64.7 Å²	64.7	55%	0.547	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136.6	173.2	-67.1	-169.9	179.1	-160.3	-2.6	109.7	N34 L35 T36 V37	N34-R79 PolarHBondContact ND2-NE 2.79Å; N34-R79 PolarHBondContact OD1-NE 3.41Å; L35-R79 PolarHBondContact O-N 3.28Å; T36-R79 CarbonylContact C-O 3.58Å; T36-R79 WeakPolarHBondContact CA-O 3.47Å; V37-R79 PolarHBondContact N-O 3.2Å
80	T	94.8	Very high	90.8	Very high	56 Å²	56	60.5 Å²	60.5	34%	0.344	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	138	175.5	47.4	0	0	0	0	110.3	V37 V39 V59 L63	V37-T80 WeakPolarHBondContact O-CA 3.41Å; V39-T80 HydrophobicContact CG2-CG2 4.44Å; V59-T80 HydrophobicContact CG1-CG2 4.23Å; L63-T80 HydrophobicContact CD1-CG2 4.09Å
81	V	96.6	Very high	91	Very high	26 Å²	26	57.3 Å²	57.3	16%	0.158	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	139.3	169.9	-64.8	0	0	0	0	108	T36 V37 A38 V39 L104 H108	T36-V81 HydrophobicContact CG2-CG1 3.99Å; T36-V81 HydrophobicContact CG2-CG2 3.88Å; V37-V81 PolarHBondContact O-N 3.02Å; A38-V81 HydrophobicContact CB-CG2 3.95Å; V39-V81 PolarHBondContact N-O 3.41Å; V81-L104 HydrophobicContact CB-CD2 4.27Å; V81-L104 HydrophobicContact CG2-CD2 4.06Å; V81-H108 HydrophobicContact CG1-CB 4.43Å; V81-H108 HydrophobicContact CG2-CB 4.27Å
82	L	97	Very high	91	Very high	80 Å²	80	53.6 Å²	53.6	42%	0.419	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	134.3	-167	-52.3	-179.1	0	0	0	110.9	V39 L43 W52	V39-L82 HydrophobicContact CB-CD2 3.77Å; V39-L82 HydrophobicContact CG1-CD2 4.36Å; V39-L82 HydrophobicContact CG2-CD2 3.84Å; L43-L82 HydrophobicContact CD1-CB 4.29Å; L43-L82 HydrophobicContact CD2-CB 4.47Å; W52-L82 HydrophobicContact CH2-CD2 3.68Å; W52-L82 HydrophobicContact CZ2-CD1 4.02Å; W52-L82 HydrophobicContact CZ2-CD2 3.47Å; W52-L82 VanDerWaalsContact CZ2-CD2 3.47Å; W52-L82 HydrophobicContact CZ2-CG 4.42Å; W52-L82 HydrophobicContact CZ3-CD2 4.31Å
83	G	95.4	Very high	91.2	Very high	8 Å²	8	53.5 Å²	53.5	8%	0.082	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	145.5	168.7	0	0	0	0	0	110	V39 V40 L41	V39-G83 PolarHBondContact O-N 3.22Å; V40-G83 WeakPolarHBondContact CA-O 3.38Å; L41-G83 PolarHBondContact N-O 2.82Å
84	S	96.6	Very high	91.3	Very high	41 Å²	41	57.5 Å²	57.5	29%	0.287	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	136.2	178.6	-170	0	0	0	0	111	L41 E86 A100	L41-S84 WeakPolarHBondContact O-CA 3.46Å; S84-E86 VanDerWaalsContact C-N 3.28Å; S84-E86 WeakPolarHBondContact OG-CB 3.34Å; S84-E86 PolarHBondContact OG-N 2.81Å; S84-E86 VanDerWaalsContact OG-N 3.14Å; S84-A100 WeakPolarHBondContact O-CB 3.25Å
85	S	94.8	Very high	91.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	34%	0.34	C	S	.	.			trans	-85.4	-0.8	167.4	63.9	0	0	0	0	113.3	L41 P42 C92 S93	L41-S85 PolarHBondContact O-N 3.33Å; P42-S85 VanDerWaalsContact CD-OG 3.31Å; P42-S85 WeakPolarHBondContact CD-OG 3.45Å; P42-S85 VanDerWaalsContact N-OG 3.1Å; S85-C92 WeakPolarHBondContact O-CA 3.49Å; S85-S93 PolarHBondContact O-N 3.45Å
86	E	93.7	Very high	92.2	Very high	25 Å²	25	56.1 Å²	56.1	12%	0.117	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-88.7	143.6	-171.8	-62.9	168	-140.7	0	0	112.8	P42 L43 A44 N45 S84 V91 A96	P42-E86 WeakPolarHBondContact CA-OE1 3.35Å; P42-E86 HydrophobicContact CB-CG 3.99Å; P42-E86 VanDerWaalsContact CB-OE1 3.24Å; P42-E86 WeakPolarHBondContact CB-OE1 3.33Å; L43-E86 PolarHBondContact N-OE1 2.81Å; A44-E86 PolarHBondContact N-OE1 3.42Å; N45-E86 PolarHBondContact N-OE1 3.34Å; N45-E86 PolarHBondContact N-OE2 3.03Å; S84-E86 VanDerWaalsContact C-N 3.28Å; S84-E86 WeakPolarHBondContact OG-CB 3.34Å; S84-E86 PolarHBondContact OG-N 2.81Å; S84-E86 VanDerWaalsContact OG-N 3.14Å; E86-V91 VanDerWaalsContact CA-O 3.3Å; E86-V91 WeakPolarHBondContact CA-O 3.45Å; E86-A96 WeakPolarHBondContact O-CB 3.26Å
87	N	91.1	Very high	92.6	Very high	53 Å²	53	52 Å²	52	28%	0.283	31%	0.308	S	S	.	.			trans	-83.3	-176.1	167.1	65.6	13.3	0	0	0	111.7	L89 G90 V91 A96	N87-L89 PolarHBondContact O-N 3.19Å; N87-L89 VanDerWaalsContact O-N 3.09Å; N87-L89 WeakPolarHBondContact OD1-CA 3.5Å; N87-L89 WeakPolarHBondContact OD1-CB 3.45Å; N87-L89 PolarHBondContact OD1-N 3.47Å; N87-G90 PolarHBondContact O-N 3.13Å; N87-G90 PolarHBondContact OD1-N 2.88Å; N87-V91 PolarHBondContact N-O 2.96Å; N87-V91 WeakPolarHBondContact ND2-CG2 3.13Å; N87-V91 WeakPolarHBondContact OD1-CG2 3.41Å; N87-V91 PolarHBondContact OD1-N 3.36Å; N87-V91 PolarHBondContact OD1-O 3.47Å; N87-A96 HydrophobicContact CB-CB 4.47Å
88	A	88.4	Confident	92.9	Very high	113 Å²	113	49.4 Å²	49.4	93%	0.934	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-16.7	178.4	0	0	0	0	0	114.6
89	L	86.1	Confident	93.1	Very high	151 Å²	151	53 Å²	53	79%	0.791	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-0.6	176.6	-60.5	173.4	0	0	0	112.7	N87 V91	N87-L89 PolarHBondContact O-N 3.19Å; N87-L89 VanDerWaalsContact O-N 3.09Å; N87-L89 WeakPolarHBondContact OD1-CA 3.5Å; N87-L89 WeakPolarHBondContact OD1-CB 3.45Å; N87-L89 PolarHBondContact OD1-N 3.47Å; L89-V91 VanDerWaalsContact C-N 3.31Å; L89-V91 HydrophobicContact CB-CG2 4.37Å; L89-V91 PolarHBondContact O-N 3.24Å
90	G	86.5	Confident	93.2	Very high	21 Å²	21	46.8 Å²	46.8	22%	0.216	29%	0.289	C	S	.	.	S	Bend	trans	75	16.8	-179.7	0	0	0	0	0	114.1	N45 N87	N45-G90 VanDerWaalsContact CB-O 3.25Å; N45-G90 WeakPolarHBondContact CB-O 3.45Å; N45-G90 PolarHBondContact ND2-O 2.9Å; N87-G90 PolarHBondContact O-N 3.13Å; N87-G90 PolarHBondContact OD1-N 2.88Å
91	V	89.8	Confident	93.3	Very high	50 Å²	50	44.1 Å²	44.1	30%	0.303	27%	0.273	S	S	.	.	S	Bend	trans	-107.7	149.5	173.4	-63.4	0	0	0	0	109.7	E86 N87 L89 S93	E86-V91 VanDerWaalsContact CA-O 3.3Å; E86-V91 WeakPolarHBondContact CA-O 3.45Å; N87-V91 PolarHBondContact N-O 2.96Å; N87-V91 WeakPolarHBondContact ND2-CG2 3.13Å; N87-V91 WeakPolarHBondContact OD1-CG2 3.41Å; N87-V91 PolarHBondContact OD1-N 3.36Å; N87-V91 PolarHBondContact OD1-O 3.47Å; L89-V91 VanDerWaalsContact C-N 3.31Å; L89-V91 HydrophobicContact CB-CG2 4.37Å; L89-V91 PolarHBondContact O-N 3.24Å; V91-S93 PolarHBondContact O-N 3.13Å
92	C	89.6	Confident	93.4	Very high	16 Å²	16	44 Å²	44	11%	0.108	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-67.3	136.4	177.7	56.1	0	0	0	0	111.3	S85 C118 E193	S85-C92 WeakPolarHBondContact O-CA 3.49Å; C92-C118 HydrophobicContact CB-CB 3.86Å; C92-C118 WeakPolarHBondContact CB-SG 3.28Å; C92-C118 WeakPolarHBondContact SG-CB 3.45Å; C92-C118 CovalentContact SG-SG 2.03Å; C92-C118 PolarHBondContact SG-SG 3.18Å; C92-E193 PolarHBondContact SG-OE1 3.32Å
93	S	91	Very high	93.4	Very high	14 Å²	14	44.6 Å²	44.6	10%	0.098	28%	0.276	C	S	.	.			trans	-128	142.4	-170.4	166.7	0	0	0	0	111.4	S85 V91 T95 A96 A97	S85-S93 PolarHBondContact O-N 3.45Å; V91-S93 PolarHBondContact O-N 3.13Å; S93-T95 PolarHBondContact O-N 2.95Å; S93-T95 PolarHBondContact OG-N 3.5Å; S93-A96 PolarHBondContact OG-N 3Å; S93-A97 WeakPolarHBondContact O-CB 3.48Å; S93-A97 PolarHBondContact O-N 3.48Å
94	D	91.9	Very high	93.5	Very high	89 Å²	89	44.8 Å²	44.8	48%	0.476	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-17.1	168	62.5	-12.3	0	0	0	114.1	P98 Y120 P124	D94-P98 WeakPolarHBondContact O-CD 3.39Å; D94-P98 WeakPolarHBondContact O-CG 3.37Å; D94-Y120 WeakPolarHBondContact CA-O 3.25Å; D94-Y120 WeakPolarHBondContact CB-O 3.42Å; D94-P124 WeakPolarHBondContact O-CG 3.46Å
95	T	93.5	Very high	93.5	Very high	83 Å²	83	44.3 Å²	44.3	51%	0.509	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-46.1	-177.9	-54.2	0	0	0	0	111.6	S93 A97 P98 L99	S93-T95 PolarHBondContact O-N 2.95Å; S93-T95 PolarHBondContact OG-N 3.5Å; T95-A97 PolarHBondContact O-N 2.93Å; T95-P98 VanDerWaalsContact O-CD 3.28Å; T95-P98 WeakPolarHBondContact O-CD 3.08Å; T95-P98 WeakPolarHBondContact O-CG 3.46Å; T95-L99 HydrophobicContact CG2-CD1 4.09Å; T95-L99 VanDerWaalsContact O-CG 3.25Å; T95-L99 WeakPolarHBondContact O-CG 3.37Å; T95-L99 PolarHBondContact O-N 2.91Å
96	A	94.3	Very high	93.5	Very high	22 Å²	22	54 Å²	54	18%	0.182	30%	0.304	C	S	.	.	H	α-helix	trans	-65.7	-41.2	-178.5	0	0	0	0	0	112.6	E86 N87 S93 L99 A100	E86-A96 WeakPolarHBondContact O-CB 3.26Å; N87-A96 HydrophobicContact CB-CB 4.47Å; S93-A96 PolarHBondContact OG-N 3Å; A96-L99 PolarHBondContact O-N 2.93Å; A96-A100 PolarHBondContact O-N 3.13Å
97	A	96.1	Very high	93.6	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-61.9	-49.3	-178.8	0	0	0	0	0	114.4	V40 S93 T95 A100 A101 P116 A121 V125	V40-A97 HydrophobicContact CG1-CB 4.14Å; S93-A97 WeakPolarHBondContact O-CB 3.48Å; S93-A97 PolarHBondContact O-N 3.48Å; T95-A97 PolarHBondContact O-N 2.93Å; A97-A100 PolarHBondContact O-N 3.09Å; A97-A101 WeakPolarHBondContact O-CB 3.14Å; A97-A101 PolarHBondContact O-N 2.86Å; A97-P116 HydrophobicContact CB-CG 4.31Å; A97-A121 HydrophobicContact CB-CB 3.62Å; A97-V125 HydrophobicContact CB-CG2 4.07Å
98	P	97.2	Very high	93.7	Very high	13 Å²	13	60.3 Å²	60.3	8%	0.084	33%	0.332	C	S	.	.	H	α-helix	trans	-67.2	-33.5	176.5	25.2	-34.4	0	0	0	113.3	D94 T95 A101 V102 P124 V125 F128	D94-P98 WeakPolarHBondContact O-CD 3.39Å; D94-P98 WeakPolarHBondContact O-CG 3.37Å; T95-P98 VanDerWaalsContact O-CD 3.28Å; T95-P98 WeakPolarHBondContact O-CD 3.08Å; T95-P98 WeakPolarHBondContact O-CG 3.46Å; P98-A101 PolarHBondContact O-N 3.37Å; P98-V102 VanDerWaalsContact O-CG2 3.26Å; P98-V102 WeakPolarHBondContact O-CG2 3.08Å; P98-V102 PolarHBondContact O-N 3.43Å; P98-P124 HydrophobicContact CB-CB 3.99Å; P98-P124 HydrophobicContact CB-CG 4.26Å; P98-P124 HydrophobicContact CG-CB 3.92Å; P98-P124 HydrophobicContact CG-CG 3.83Å; P98-V125 HydrophobicContact CB-CG2 4.29Å; P98-F128 HydrophobicContact CB-CD2 4Å; P98-F128 HydrophobicContact CB-CE2 3.79Å
99	L	96.6	Very high	94	Very high	106 Å²	106	60 Å²	60	56%	0.555	32%	0.315	S	S	*	.	H	α-helix	trans	-60.9	-49.6	174.1	-68.6	174.6	0	0	0	110.8	T95 A96 A101 V102 D103	T95-L99 HydrophobicContact CG2-CD1 4.09Å; T95-L99 VanDerWaalsContact O-CG 3.25Å; T95-L99 WeakPolarHBondContact O-CG 3.37Å; T95-L99 PolarHBondContact O-N 2.91Å; A96-L99 PolarHBondContact O-N 2.93Å; L99-A101 VanDerWaalsContact C-N 3.29Å; L99-A101 PolarHBondContact O-N 3.49Å; L99-V102 PolarHBondContact O-N 2.84Å; L99-D103 PolarHBondContact O-N 3.2Å
100	A	96.6	Very high	94.5	Very high	16 Å²	16	53 Å²	53	13%	0.132	28%	0.278	C	S	.	.	H	α-helix	trans	-60.2	-39	174.9	0	0	0	0	0	112.2	S84 A96 A97 D103 L104	S84-A100 WeakPolarHBondContact O-CB 3.25Å; A96-A100 PolarHBondContact O-N 3.13Å; A97-A100 PolarHBondContact O-N 3.09Å; A100-D103 PolarHBondContact O-N 3.42Å; A100-L104 WeakPolarHBondContact O-CB 3.43Å; A100-L104 VanDerWaalsContact O-CG 3.24Å; A100-L104 WeakPolarHBondContact O-CG 3.35Å; A100-L104 PolarHBondContact O-N 3.01Å
101	A	97.3	Very high	94.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.9	-39.6	177.3	0	0	0	0	0	112.7	V40 A97 P98 L99 K105 F113 V125	V40-A101 HydrophobicContact CG2-CB 4.25Å; A97-A101 WeakPolarHBondContact O-CB 3.14Å; A97-A101 PolarHBondContact O-N 2.86Å; P98-A101 PolarHBondContact O-N 3.37Å; L99-A101 VanDerWaalsContact C-N 3.29Å; L99-A101 PolarHBondContact O-N 3.49Å; A101-K105 VanDerWaalsContact O-CB 3.3Å; A101-K105 WeakPolarHBondContact O-CB 3.12Å; A101-K105 PolarHBondContact O-N 2.94Å; A101-F113 HydrophobicContact CB-CE1 3.96Å; A101-V125 HydrophobicContact CB-CG1 3.92Å; A101-V125 HydrophobicContact CB-CG2 3.99Å
102	V	97.8	Very high	95.3	Very high	22 Å²	22	50 Å²	50	13%	0.133	26%	0.257	C	S	.	.	H	α-helix	trans	-65.8	-45.8	175.6	171	0	0	0	0	110.8	P98 L99 K105 W106 F128 W132	P98-V102 VanDerWaalsContact O-CG2 3.26Å; P98-V102 WeakPolarHBondContact O-CG2 3.08Å; P98-V102 PolarHBondContact O-N 3.43Å; L99-V102 PolarHBondContact O-N 2.84Å; V102-K105 WeakPolarHBondContact O-CB 2.98Å; V102-K105 PolarHBondContact O-N 3.23Å; V102-K105 VanDerWaalsContact O-N 3.13Å; V102-W106 HydrophobicContact CG1-CD2 3.94Å; V102-W106 HydrophobicContact CG1-CE3 3.68Å; V102-W106 HydrophobicContact CG1-CH2 3.76Å; V102-W106 HydrophobicContact CG1-CZ2 4Å; V102-W106 HydrophobicContact CG1-CZ3 3.59Å; V102-W106 PolarHBondContact O-N 3.26Å; V102-F128 HydrophobicContact CG2-CE1 4.36Å; V102-F128 HydrophobicContact CG2-CZ 4.4Å; V102-W132 HydrophobicContact CB-CH2 4.38Å; V102-W132 HydrophobicContact CG2-CH2 3.74Å; V102-W132 HydrophobicContact CG2-CZ2 3.97Å
103	D	96.9	Very high	95.7	Very high	94 Å²	94	49.2 Å²	49.2	50%	0.503	25%	0.251	S	S	.	.	H	α-helix	trans	-60.6	-48.8	178.4	-69.4	-21.8	0	0	0	111.1	L99 A100 K105 W106 E107	L99-D103 PolarHBondContact O-N 3.2Å; A100-D103 PolarHBondContact O-N 3.42Å; D103-K105 VanDerWaalsContact C-N 3.27Å; D103-K105 PolarHBondContact O-N 2.85Å; D103-W106 PolarHBondContact O-N 2.75Å; D103-E107 WeakPolarHBondContact O-CB 3.35Å; D103-E107 PolarHBondContact O-N 3.2Å
104	L	96.8	Very high	96	Very high	12 Å²	12	48.7 Å²	48.7	6%	0.063	25%	0.247	C	C	.	.	H	α-helix	trans	-61.3	-36	175.3	-70.2	176.9	0	0	0	112.2	A38 V40 V81 A100 H108 P110	A38-L104 HydrophobicContact CB-CB 4.26Å; A38-L104 HydrophobicContact CB-CD1 4Å; V40-L104 HydrophobicContact CG2-CD1 3.92Å; V81-L104 HydrophobicContact CB-CD2 4.27Å; V81-L104 HydrophobicContact CG2-CD2 4.06Å; A100-L104 WeakPolarHBondContact O-CB 3.43Å; A100-L104 VanDerWaalsContact O-CG 3.24Å; A100-L104 WeakPolarHBondContact O-CG 3.35Å; A100-L104 PolarHBondContact O-N 3.01Å; L104-H108 PolarHBondContact O-N 3Å; L104-H108 VanDerWaalsContact O-N 3.09Å; L104-P110 WeakPolarHBondContact O-CD 3.47Å
105	K	96.8	Very high	96.2	Very high	30 Å²	30	44.4 Å²	44.4	13%	0.13	23%	0.225	C	C	.	.	H	α-helix	trans	-65.4	-43.9	178.1	-174.7	51.8	170.3	168	0	111.4	A101 V102 D103 N109 P110 F113 W132	A101-K105 VanDerWaalsContact O-CB 3.3Å; A101-K105 WeakPolarHBondContact O-CB 3.12Å; A101-K105 PolarHBondContact O-N 2.94Å; V102-K105 WeakPolarHBondContact O-CB 2.98Å; V102-K105 PolarHBondContact O-N 3.23Å; V102-K105 VanDerWaalsContact O-N 3.13Å; D103-K105 VanDerWaalsContact C-N 3.27Å; D103-K105 PolarHBondContact O-N 2.85Å; K105-N109 PolarHBondContact NZ-OD1 3.1Å; K105-N109 WeakPolarHBondContact O-CA 3.25Å; K105-N109 PolarHBondContact O-N 2.81Å; K105-P110 HydrophobicContact CD-CG 4.22Å; K105-P110 PolarHBondContact NZ-O 3.26Å; K105-F113 HydrophobicContact CB-CZ 4.27Å; K105-W132 HydrophobicContact CB-CE3 4.24Å; K105-W132 HydrophobicContact CB-CH2 3.91Å; K105-W132 HydrophobicContact CB-CZ2 4.4Å; K105-W132 HydrophobicContact CB-CZ3 3.82Å; K105-W132 HydrophobicContact CD-CE3 4.25Å; K105-W132 HydrophobicContact CG-CD2 3.92Å; K105-W132 HydrophobicContact CG-CE3 3.8Å; K105-W132 HydrophobicContact CG-CH2 4.13Å; K105-W132 HydrophobicContact CG-CZ2 4.25Å; K105-W132 HydrophobicContact CG-CZ3 3.91Å
106	W	95.1	Very high	96.3	Very high	204 Å²	204	40.5 Å²	40.5	77%	0.773	20%	0.2	S	C	*	.	H	α-helix	trans	-72.7	-40.3	179.2	-75.9	-24.9	0	0	0	113.3	V102 D103	V102-W106 HydrophobicContact CG1-CD2 3.94Å; V102-W106 HydrophobicContact CG1-CE3 3.68Å; V102-W106 HydrophobicContact CG1-CH2 3.76Å; V102-W106 HydrophobicContact CG1-CZ2 4Å; V102-W106 HydrophobicContact CG1-CZ3 3.59Å; V102-W106 PolarHBondContact O-N 3.26Å; D103-W106 PolarHBondContact O-N 2.75Å
107	E	95.9	Very high	96.2	Very high	142 Å²	142	39.4 Å²	39.4	66%	0.664	19%	0.192	S	C	*	.	H	α-helix	trans	-76.8	-40.1	-174.9	-166.3	-179.6	167.6	0	0	113	D103	D103-E107 WeakPolarHBondContact O-CB 3.35Å; D103-E107 PolarHBondContact O-N 3.2Å
108	H	93.7	Very high	96.1	Very high	69 Å²	69	39.5 Å²	39.5	32%	0.319	19%	0.192	S	C	.	.	H	α-helix	trans	-120.3	-9.1	-167.4	-59.7	-46.5	0	0	0	114.9	T36 V81 L104	T36-H108 HydrophobicContact CG2-CB 4.27Å; V81-H108 HydrophobicContact CG1-CB 4.43Å; V81-H108 HydrophobicContact CG2-CB 4.27Å; L104-H108 PolarHBondContact O-N 3Å; L104-H108 VanDerWaalsContact O-N 3.09Å
109	N	94.3	Very high	96	Very high	107 Å²	107	39.3 Å²	39.3	57%	0.572	19%	0.191	S	C	*	.			trans	41.3	62.1	-175.8	-169.1	30	0	0	0	113.4	K105	K105-N109 PolarHBondContact NZ-OD1 3.1Å; K105-N109 WeakPolarHBondContact O-CA 3.25Å; K105-N109 PolarHBondContact O-N 2.81Å
110	P	96.5	Very high	95.8	Very high	3 Å²	3	39 Å²	39	2%	0.019	18%	0.183	C	C	.	.			trans	-63.1	149	-175	29.4	-37.8	0	0	0	112.5	T36 A38 L104 K105 F113	T36-P110 HydrophobicContact CG2-CB 4.37Å; A38-P110 HydrophobicContact CB-CB 3.57Å; A38-P110 HydrophobicContact CB-CG 3.6Å; L104-P110 WeakPolarHBondContact O-CD 3.47Å; K105-P110 HydrophobicContact CD-CG 4.22Å; K105-P110 PolarHBondContact NZ-O 3.26Å; P110-F113 HydrophobicContact CG-CD2 4.4Å; P110-F113 HydrophobicContact CG-CE1 4.47Å; P110-F113 HydrophobicContact CG-CE2 3.68Å; P110-F113 HydrophobicContact CG-CZ 3.72Å
111	A	96	Very high	95.7	Very high	8 Å²	8	38.3 Å²	38.3	7%	0.066	18%	0.177	C	C	.	.	S	Bend	trans	-81	-27.1	175.6	0	0	0	0	0	112.5	L35 T36 P135	L35-A111 HydrophobicContact CD2-CB 4.35Å; L35-A111 HydrophobicContact CG-CB 4.25Å; T36-A111 PolarHBondContact O-N 3.47Å; A111-P135 WeakPolarHBondContact O-CD 3.42Å
112	A	97.3	Very high	95.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	157.3	173.6	0	0	0	0	0	111.3	V37 A38 P135 Y360	V37-A112 WeakPolarHBondContact CA-O 3.35Å; A38-A112 PolarHBondContact N-O 2.94Å; A112-P135 WeakPolarHBondContact CA-O 3.25Å; A112-P135 HydrophobicContact CB-CB 4.44Å; A112-Y360 HydrophobicContact CB-CE1 4.04Å; A112-Y360 HydrophobicContact CB-CE2 3.8Å; A112-Y360 VanDerWaalsContact CB-CZ 3.49Å; A112-Y360 WeakPolarHBondContact CB-OH 3.43Å
113	F	98.1	Very high	95.5	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	143.2	170.1	-78.6	-95.9	0	0	0	111.3	A38 V40 A101 K105 P110 T129 W132 V134 P135 L136 L137	A38-F113 HydrophobicContact CB-CD1 3.67Å; A38-F113 HydrophobicContact CB-CE1 3.59Å; A38-F113 HydrophobicContact CB-CG 4.26Å; A38-F113 HydrophobicContact CB-CZ 4.11Å; A38-F113 CarbonylContact O-C 3.26Å; A38-F113 VanDerWaalsContact O-CA 3.25Å; A38-F113 WeakPolarHBondContact O-CA 3.38Å; V40-F113 HydrophobicContact CG2-CD1 4.07Å; V40-F113 HydrophobicContact CG2-CE1 4.24Å; A101-F113 HydrophobicContact CB-CE1 3.96Å; K105-F113 HydrophobicContact CB-CZ 4.27Å; P110-F113 HydrophobicContact CG-CD2 4.4Å; P110-F113 HydrophobicContact CG-CE1 4.47Å; P110-F113 HydrophobicContact CG-CE2 3.68Å; P110-F113 HydrophobicContact CG-CZ 3.72Å; F113-T129 HydrophobicContact CB-CG2 4.2Å; F113-T129 HydrophobicContact CD2-CG2 3.44Å; F113-T129 VanDerWaalsContact CD2-CG2 3.44Å; F113-T129 HydrophobicContact CE2-CG2 3.89Å; F113-T129 HydrophobicContact CG-CG2 3.82Å; F113-W132 HydrophobicContact CE2-CE3 4.34Å; F113-W132 HydrophobicContact CE2-CZ3 4.31Å; F113-W132 HydrophobicContact CZ-CZ3 4.13Å; F113-V134 HydrophobicContact CD2-CB 4.45Å; F113-V134 HydrophobicContact CD2-CG1 3.74Å; F113-V134 HydrophobicContact CE2-CG1 4.09Å; F113-P135 PolarHBondContact N-O 3.21Å; F113-L136 HydrophobicContact CB-CB 4.5Å; F113-L136 HydrophobicContact CB-CD1 4.49Å; F113-L136 HydrophobicContact CB-CG 4.3Å; F113-L137 PolarHBondContact O-N 3.49Å
114	L	97.9	Very high	95.5	Very high	2 Å²	2	35 Å²	35	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	119.1	174.1	-167.2	72.5	0	0	0	109.6	V37 A38 V39 V40 V59 L137 F353	V37-L114 HydrophobicContact CG1-CB 3.91Å; A38-L114 PolarHBondContact O-N 3.18Å; V39-L114 WeakPolarHBondContact CA-O 3.22Å; V39-L114 HydrophobicContact CG2-CB 4.27Å; V39-L114 HydrophobicContact CG2-CD2 4.27Å; V40-L114 PolarHBondContact N-O 3.29Å; V59-L114 HydrophobicContact CG2-CD2 3.59Å; L114-L137 CarbonylContact C-O 3.52Å; L114-L137 WeakPolarHBondContact CA-O 3.35Å; L114-L137 HydrophobicContact CD1-CB 3.92Å; L114-F353 HydrophobicContact CD1-CD1 3.76Å; L114-F353 HydrophobicContact CD1-CE1 4.21Å; L114-F353 HydrophobicContact CD2-CD1 4.38Å; L114-F353 HydrophobicContact CG-CD1 3.91Å; L114-F353 HydrophobicContact CG-CE1 4.14Å
115	G	94.7	Very high	95.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.159	C	C	.	.			trans	81.3	-176.7	-164.5	0	0	0	0	0	112	L137	G115-L137 PolarHBondContact N-O 3.39Å
116	P	97.1	Very high	95.5	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.153	C	C	.	.			cis	-71	161	1.1	-18.7	32.7	0	0	0	115.3	V40 A97 A121 A122 V125 T138	V40-P116 HydrophobicContact CB-CG 4.24Å; V40-P116 HydrophobicContact CG1-CG 3.98Å; V40-P116 WeakPolarHBondContact O-CA 3.48Å; A97-P116 HydrophobicContact CB-CG 4.31Å; P116-A121 HydrophobicContact CB-CB 3.77Å; P116-A121 HydrophobicContact CG-CB 4.24Å; P116-A122 HydrophobicContact CB-CB 4.13Å; P116-A122 HydrophobicContact CG-CB 4.44Å; P116-V125 HydrophobicContact CG-CB 4.02Å; P116-V125 HydrophobicContact CG-CG1 4.3Å; P116-V125 HydrophobicContact CG-CG2 3.79Å; P116-T138 PolarHBondContact O-OG1 2.87Å
117	G	92.3	Very high	95.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.138	C	C	.	.			trans	-90.7	-35.9	175.8	0	0	0	0	0	113.9	W50 A141	W50-G117 VanDerWaalsContact CE2-C 3.46Å; G117-A141 PolarHBondContact O-N 2.9Å
118	C	93.4	Very high	95.7	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.007	12%	0.124	C	C	.	.	S	Bend	trans	-72.4	144.9	179.3	-47.9	0	0	0	0	111.6	W50 C92 A121 A122 E193	W50-C118 HydrophobicContact CZ2-CB 4.36Å; W50-C118 PolarHBondContact NE1-SG 3.34Å; C92-C118 HydrophobicContact CB-CB 3.86Å; C92-C118 WeakPolarHBondContact CB-SG 3.28Å; C92-C118 WeakPolarHBondContact SG-CB 3.45Å; C92-C118 CovalentContact SG-SG 2.03Å; C92-C118 PolarHBondContact SG-SG 3.18Å; C118-A121 HydrophobicContact CB-CB 3.96Å; C118-A121 PolarHBondContact O-N 2.72Å; C118-A122 WeakPolarHBondContact O-CB 3.26Å; C118-A122 PolarHBondContact O-N 3.04Å; C118-E193 WeakPolarHBondContact CA-OE2 3.12Å; C118-E193 WeakPolarHBondContact CB-OE1 3.21Å; C118-E193 WeakPolarHBondContact CB-OE2 3.34Å; C118-E193 PolarHBondContact SG-OE1 2.96Å
119	V	93.8	Very high	95.8	Very high	10 Å²	10	22.9 Å²	22.9	6%	0.061	11%	0.108	C	C	.	.	H	α-helix	trans	-61.2	-52.3	-179.1	171.5	0	0	0	0	111.3	A121 A122 A123 P142 A143 F146 F198	V119-A121 VanDerWaalsContact C-N 3.33Å; V119-A121 PolarHBondContact O-N 3.37Å; V119-A122 PolarHBondContact O-N 2.77Å; V119-A123 PolarHBondContact O-N 2.92Å; V119-A123 VanDerWaalsContact O-N 3.12Å; V119-P142 HydrophobicContact CG2-CG 4.43Å; V119-A143 HydrophobicContact CB-CB 4.36Å; V119-A143 HydrophobicContact CG1-CB 3.62Å; V119-A143 HydrophobicContact CG2-CB 3.76Å; V119-F146 HydrophobicContact CB-CE2 4.48Å; V119-F146 HydrophobicContact CG1-CE2 4.05Å; V119-F198 HydrophobicContact CB-CD2 4.24Å; V119-F198 HydrophobicContact CB-CE2 3.97Å; V119-F198 HydrophobicContact CB-CZ 4.3Å; V119-F198 HydrophobicContact CG1-CD1 4.26Å; V119-F198 HydrophobicContact CG1-CD2 4.16Å; V119-F198 HydrophobicContact CG1-CE1 3.82Å; V119-F198 HydrophobicContact CG1-CE2 3.71Å; V119-F198 HydrophobicContact CG1-CG 4.42Å; V119-F198 HydrophobicContact CG1-CZ 3.53Å; V119-F198 HydrophobicContact CG2-CD2 4.08Å; V119-F198 HydrophobicContact CG2-CE2 4.33Å; V119-F198 HydrophobicContact CG2-CG 4.42Å
120	Y	92.8	Very high	95.9	Very high	100 Å²	100	18.7 Å²	18.7	39%	0.392	9%	0.089	S	C	.	.	H	α-helix	trans	-63.9	-35.2	-178.5	-71.3	-61.5	0	0	0	113.2	D94 P124 E194 F198	D94-Y120 WeakPolarHBondContact CA-O 3.25Å; D94-Y120 WeakPolarHBondContact CB-O 3.42Å; Y120-P124 WeakPolarHBondContact O-CD 3.27Å; Y120-E194 PolarHBondContact OH-OE2 3.48Å; Y120-F198 HydrophobicContact CE1-CZ 4.11Å; Y120-F198 AromaticContact CE2-CE2 3.85Å; Y120-F198 HydrophobicContact CE2-CE2 3.85Å; Y120-F198 HydrophobicContact CE2-CZ 4.08Å; Y120-F198 AromaticContact CZ-CE2 3.94Å; Y120-F198 AromaticContact CZ-CZ 3.69Å
121	A	94.3	Very high	95.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-73.7	-40	175.8	0	0	0	0	0	112.6	A97 P116 C118 V119 P124 V125	A97-A121 HydrophobicContact CB-CB 3.62Å; P116-A121 HydrophobicContact CB-CB 3.77Å; P116-A121 HydrophobicContact CG-CB 4.24Å; C118-A121 HydrophobicContact CB-CB 3.96Å; C118-A121 PolarHBondContact O-N 2.72Å; V119-A121 VanDerWaalsContact C-N 3.33Å; V119-A121 PolarHBondContact O-N 3.37Å; A121-P124 WeakPolarHBondContact O-CD 3.47Å; A121-V125 WeakPolarHBondContact O-CG2 3.24Å
122	A	96.1	Very high	95.9	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.008	13%	0.129	C	C	.	.	H	α-helix	trans	-74.4	-28	-175.6	0	0	0	0	0	113.2	P116 C118 V119 V125 G126 A141 F146	P116-A122 HydrophobicContact CB-CB 4.13Å; P116-A122 HydrophobicContact CG-CB 4.44Å; C118-A122 WeakPolarHBondContact O-CB 3.26Å; C118-A122 PolarHBondContact O-N 3.04Å; V119-A122 PolarHBondContact O-N 2.77Å; A122-V125 PolarHBondContact O-N 3.45Å; A122-G126 PolarHBondContact O-N 3.13Å; A122-A141 HydrophobicContact CB-CB 3.73Å; A122-F146 HydrophobicContact CB-CE1 3.92Å; A122-F146 HydrophobicContact CB-CE2 4.45Å; A122-F146 HydrophobicContact CB-CZ 3.59Å
123	A	95.8	Very high	95.9	Very high	16 Å²	16	35.8 Å²	35.8	13%	0.132	16%	0.157	C	C	.	.	H	α-helix	trans	-61.3	-51.3	-178.2	0	0	0	0	0	113.8	V119 R127 F146 Y152	V119-A123 PolarHBondContact O-N 2.92Å; V119-A123 VanDerWaalsContact O-N 3.12Å; A123-R127 PolarHBondContact O-N 3.09Å; A123-R127 PolarHBondContact O-NE 2.87Å; A123-F146 HydrophobicContact CB-CE1 4.34Å; A123-F146 HydrophobicContact CB-CZ 3.99Å; A123-Y152 WeakPolarHBondContact O-CE1 3.48Å
124	P	97	Very high	95.8	Very high	29 Å²	29	36.2 Å²	36.2	19%	0.188	16%	0.16	C	C	.	.	H	α-helix	trans	-69.4	-40.7	175.8	26.6	-33.7	0	0	0	112	D94 P98 Y120 A121 G126 R127 F128	D94-P124 WeakPolarHBondContact O-CG 3.46Å; P98-P124 HydrophobicContact CB-CB 3.99Å; P98-P124 HydrophobicContact CB-CG 4.26Å; P98-P124 HydrophobicContact CG-CB 3.92Å; P98-P124 HydrophobicContact CG-CG 3.83Å; Y120-P124 WeakPolarHBondContact O-CD 3.27Å; A121-P124 WeakPolarHBondContact O-CD 3.47Å; P124-G126 PolarHBondContact O-N 3.46Å; P124-R127 PolarHBondContact O-N 3.29Å; P124-F128 WeakPolarHBondContact O-CD2 3.2Å; P124-F128 PolarHBondContact O-N 3.42Å; P124-F128 VanDerWaalsContact O-N 3.08Å
125	V	97.5	Very high	95.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.2	-43.9	179.6	179.6	0	0	0	0	111.3	A97 P98 A101 P116 A121 A122 R127 F128 T129 L136	A97-V125 HydrophobicContact CB-CG2 4.07Å; P98-V125 HydrophobicContact CB-CG2 4.29Å; A101-V125 HydrophobicContact CB-CG1 3.92Å; A101-V125 HydrophobicContact CB-CG2 3.99Å; P116-V125 HydrophobicContact CG-CB 4.02Å; P116-V125 HydrophobicContact CG-CG1 4.3Å; P116-V125 HydrophobicContact CG-CG2 3.79Å; A121-V125 WeakPolarHBondContact O-CG2 3.24Å; A122-V125 PolarHBondContact O-N 3.45Å; V125-R127 VanDerWaalsContact C-N 3.29Å; V125-R127 PolarHBondContact O-N 3.3Å; V125-F128 PolarHBondContact O-N 3.46Å; V125-F128 VanDerWaalsContact O-N 3.14Å; V125-T129 HydrophobicContact CG1-CG2 4.23Å; V125-T129 WeakPolarHBondContact O-CG2 3.42Å; V125-T129 PolarHBondContact O-N 3.27Å; V125-T129 PolarHBondContact O-OG1 3.05Å; V125-L136 HydrophobicContact CG1-CD1 3.83Å
126	G	96.8	Very high	96	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58.9	-38.2	177.5	0	0	0	0	0	113.2	A122 P124 T129 A130	A122-G126 PolarHBondContact O-N 3.13Å; P124-G126 PolarHBondContact O-N 3.46Å; G126-T129 WeakPolarHBondContact CA-OG1 3.41Å; G126-T129 PolarHBondContact O-OG1 2.63Å; G126-A130 VanDerWaalsContact O-CB 3.27Å; G126-A130 WeakPolarHBondContact O-CB 3.28Å; G126-A130 PolarHBondContact O-N 2.97Å
127	R	97.1	Very high	96	Very high	123 Å²	123	36.4 Å²	36.4	46%	0.464	16%	0.161	S	C	.	.	H	α-helix	trans	-69.2	-39.5	175.1	-73.4	-173.5	-98	-129.6	8.2	112.3	A123 P124 V125 H131 E151 Y152	A123-R127 PolarHBondContact O-N 3.09Å; A123-R127 PolarHBondContact O-NE 2.87Å; P124-R127 PolarHBondContact O-N 3.29Å; V125-R127 VanDerWaalsContact C-N 3.29Å; V125-R127 PolarHBondContact O-N 3.3Å; R127-H131 WeakPolarHBondContact O-CB 3.41Å; R127-H131 PolarHBondContact O-N 3.45Å; R127-E151 IonicContact NH1-OE2 3.19Å; R127-E151 PolarHBondContact NH1-OE2 3.2Å; R127-E151 VanDerWaalsContact NH1-OE2 3.17Å; R127-Y152 HydrophobicContact CG-CD1 4.46Å; R127-Y152 HydrophobicContact CG-CE1 3.94Å
128	F	97.3	Very high	96.3	Very high	81 Å²	81	36.5 Å²	36.5	36%	0.355	16%	0.161	S	C	.	.	H	α-helix	trans	-64	-46	173.2	-81.3	-66.8	0	0	0	112.2	P98 V102 P124 V125 A130 H131 W132	P98-F128 HydrophobicContact CB-CD2 4Å; P98-F128 HydrophobicContact CB-CE2 3.79Å; V102-F128 HydrophobicContact CG2-CE1 4.36Å; V102-F128 HydrophobicContact CG2-CZ 4.4Å; P124-F128 WeakPolarHBondContact O-CD2 3.2Å; P124-F128 PolarHBondContact O-N 3.42Å; P124-F128 VanDerWaalsContact O-N 3.08Å; V125-F128 PolarHBondContact O-N 3.46Å; V125-F128 VanDerWaalsContact O-N 3.14Å; F128-A130 VanDerWaalsContact C-N 3.34Å; F128-A130 PolarHBondContact O-N 3.42Å; F128-H131 WeakPolarHBondContact O-CB 3.38Å; F128-H131 PolarHBondContact O-N 2.88Å; F128-W132 HydrophobicContact CB-CD2 4.38Å; F128-W132 HydrophobicContact CB-CE3 4.08Å; F128-W132 HydrophobicContact CB-CH2 3.67Å; F128-W132 HydrophobicContact CB-CZ2 3.98Å; F128-W132 HydrophobicContact CB-CZ3 3.72Å; F128-W132 HydrophobicContact CD1-CH2 4.04Å; F128-W132 AromaticContact CD1-CZ2 3.65Å; F128-W132 HydrophobicContact CD1-CZ2 3.65Å; F128-W132 HydrophobicContact CE1-CZ2 4.48Å; F128-W132 AromaticContact CG-CH2 3.99Å; F128-W132 HydrophobicContact CG-CH2 3.99Å; F128-W132 HydrophobicContact CG-CZ2 4.08Å; F128-W132 VanDerWaalsContact O-CD2 3.23Å; F128-W132 VanDerWaalsContact O-CG 3.27Å; F128-W132 PolarHBondContact O-N 3.06Å
129	T	96.6	Very high	96.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66.1	-37.4	179.8	53.4	0	0	0	0	112.2	F113 V125 G126 W132 R133 V134 L136	F113-T129 HydrophobicContact CB-CG2 4.2Å; F113-T129 HydrophobicContact CD2-CG2 3.44Å; F113-T129 VanDerWaalsContact CD2-CG2 3.44Å; F113-T129 HydrophobicContact CE2-CG2 3.89Å; F113-T129 HydrophobicContact CG-CG2 3.82Å; V125-T129 HydrophobicContact CG1-CG2 4.23Å; V125-T129 WeakPolarHBondContact O-CG2 3.42Å; V125-T129 PolarHBondContact O-N 3.27Å; V125-T129 PolarHBondContact O-OG1 3.05Å; G126-T129 WeakPolarHBondContact CA-OG1 3.41Å; G126-T129 PolarHBondContact O-OG1 2.63Å; T129-W132 HydrophobicContact CG2-CE3 4.44Å; T129-W132 CarbonylContact O-C 3.26Å; T129-W132 PolarHBondContact O-N 3.38Å; T129-R133 PolarHBondContact O-N 3.36Å; T129-V134 WeakPolarHBondContact CB-O 3.43Å; T129-V134 PolarHBondContact O-N 3.15Å; T129-L136 HydrophobicContact CG2-CB 4.44Å; T129-L136 HydrophobicContact CG2-CD1 4.06Å
130	A	96.1	Very high	96.3	Very high	19 Å²	19	36.1 Å²	36.1	16%	0.157	16%	0.159	C	C	.	.	H	α-helix	trans	-59.8	-46.7	171.4	0	0	0	0	0	111.2	G126 F128 W132 R133 E151 A153	G126-A130 VanDerWaalsContact O-CB 3.27Å; G126-A130 WeakPolarHBondContact O-CB 3.28Å; G126-A130 PolarHBondContact O-N 2.97Å; F128-A130 VanDerWaalsContact C-N 3.34Å; F128-A130 PolarHBondContact O-N 3.42Å; A130-W132 PolarHBondContact O-N 2.87Å; A130-R133 PolarHBondContact O-N 3.36Å; A130-R133 VanDerWaalsContact O-N 3.13Å; A130-E151 WeakPolarHBondContact CB-O 3.26Å; A130-A153 HydrophobicContact CB-CB 4.03Å
131	H	96.2	Very high	96.4	Very high	147 Å²	147	31.4 Å²	31.4	68%	0.681	14%	0.141	S	C	*	.	H	α-helix	trans	-61.8	-42	176.7	-179.3	72.6	0	0	0	112.8	R127 F128 R133	R127-H131 WeakPolarHBondContact O-CB 3.41Å; R127-H131 PolarHBondContact O-N 3.45Å; F128-H131 WeakPolarHBondContact O-CB 3.38Å; F128-H131 PolarHBondContact O-N 2.88Å; H131-R133 PolarHBondContact O-N 2.85Å
132	W	96.1	Very high	96.3	Very high	67 Å²	67	31.7 Å²	31.7	25%	0.254	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-4.3	177.2	-59.5	-34.8	0	0	0	114.1	V102 K105 F113 F128 T129 A130 V134	V102-W132 HydrophobicContact CB-CH2 4.38Å; V102-W132 HydrophobicContact CG2-CH2 3.74Å; V102-W132 HydrophobicContact CG2-CZ2 3.97Å; K105-W132 HydrophobicContact CB-CE3 4.24Å; K105-W132 HydrophobicContact CB-CH2 3.91Å; K105-W132 HydrophobicContact CB-CZ2 4.4Å; K105-W132 HydrophobicContact CB-CZ3 3.82Å; K105-W132 HydrophobicContact CD-CE3 4.25Å; K105-W132 HydrophobicContact CG-CD2 3.92Å; K105-W132 HydrophobicContact CG-CE3 3.8Å; K105-W132 HydrophobicContact CG-CH2 4.13Å; K105-W132 HydrophobicContact CG-CZ2 4.25Å; K105-W132 HydrophobicContact CG-CZ3 3.91Å; F113-W132 HydrophobicContact CE2-CE3 4.34Å; F113-W132 HydrophobicContact CE2-CZ3 4.31Å; F113-W132 HydrophobicContact CZ-CZ3 4.13Å; F128-W132 HydrophobicContact CB-CD2 4.38Å; F128-W132 HydrophobicContact CB-CE3 4.08Å; F128-W132 HydrophobicContact CB-CH2 3.67Å; F128-W132 HydrophobicContact CB-CZ2 3.98Å; F128-W132 HydrophobicContact CB-CZ3 3.72Å; F128-W132 HydrophobicContact CD1-CH2 4.04Å; F128-W132 AromaticContact CD1-CZ2 3.65Å; F128-W132 HydrophobicContact CD1-CZ2 3.65Å; F128-W132 HydrophobicContact CE1-CZ2 4.48Å; F128-W132 AromaticContact CG-CH2 3.99Å; F128-W132 HydrophobicContact CG-CH2 3.99Å; F128-W132 HydrophobicContact CG-CZ2 4.08Å; F128-W132 VanDerWaalsContact O-CD2 3.23Å; F128-W132 VanDerWaalsContact O-CG 3.27Å; F128-W132 PolarHBondContact O-N 3.06Å; T129-W132 HydrophobicContact CG2-CE3 4.44Å; T129-W132 CarbonylContact O-C 3.26Å; T129-W132 PolarHBondContact O-N 3.38Å; A130-W132 PolarHBondContact O-N 2.87Å; W132-V134 HydrophobicContact CB-CG2 3.85Å; W132-V134 PolarHBondContact O-N 3.07Å
133	R	96.4	Very high	96.3	Very high	156 Å²	156	31.8 Å²	31.8	59%	0.589	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	37.7	-173.9	-52	177.7	93.1	119.2	-6.5	112.8	T129 A130 H131 L154 E378	T129-R133 PolarHBondContact O-N 3.36Å; A130-R133 PolarHBondContact O-N 3.36Å; A130-R133 VanDerWaalsContact O-N 3.13Å; H131-R133 PolarHBondContact O-N 2.85Å; R133-L154 HydrophobicContact CB-CD1 4.22Å; R133-L154 WeakPolarHBondContact O-CD1 3.22Å; R133-E378 IonicContact CZ-OE1 2.98Å; R133-E378 IonicContact NE-OE1 3.03Å; R133-E378 PolarHBondContact NE-OE1 3.06Å; R133-E378 VanDerWaalsContact NH2-CD 3.31Å; R133-E378 IonicContact NH2-OE1 3.88Å; R133-E378 PolarHBondContact NH2-OE1 3.45Å; R133-E378 IonicContact NH2-OE2 3.21Å; R133-E378 PolarHBondContact NH2-OE2 2.62Å
134	V	97.4	Very high	96.1	Very high	9 Å²	9	33.3 Å²	33.3	6%	0.055	15%	0.149	C	C	.	.			trans	-105.5	129.9	178.1	-178.2	0	0	0	0	109	F113 T129 W132 L136	F113-V134 HydrophobicContact CD2-CB 4.45Å; F113-V134 HydrophobicContact CD2-CG1 3.74Å; F113-V134 HydrophobicContact CE2-CG1 4.09Å; T129-V134 WeakPolarHBondContact CB-O 3.43Å; T129-V134 PolarHBondContact O-N 3.15Å; W132-V134 HydrophobicContact CB-CG2 3.85Å; W132-V134 PolarHBondContact O-N 3.07Å; V134-L136 PolarHBondContact O-N 2.87Å
135	P	97.9	Very high	95.8	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.013	16%	0.159	C	C	.	.			trans	-59.7	136.4	175.2	-24.6	35.1	0	0	0	112.7	A111 A112 F113 Y360	A111-P135 WeakPolarHBondContact O-CD 3.42Å; A112-P135 WeakPolarHBondContact CA-O 3.25Å; A112-P135 HydrophobicContact CB-CB 4.44Å; F113-P135 PolarHBondContact N-O 3.21Å; P135-Y360 HydrophobicContact CB-CE2 4.35Å; P135-Y360 HydrophobicContact CG-CE2 4.43Å
136	L	97.9	Very high	95.6	Very high	2 Å²	2	34 Å²	34	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126.2	171.3	-174.6	150.8	0	0	0	109.4	F113 V125 T129 V134 T138 L154 T155 T156	F113-L136 HydrophobicContact CB-CB 4.5Å; F113-L136 HydrophobicContact CB-CD1 4.49Å; F113-L136 HydrophobicContact CB-CG 4.3Å; V125-L136 HydrophobicContact CG1-CD1 3.83Å; T129-L136 HydrophobicContact CG2-CB 4.44Å; T129-L136 HydrophobicContact CG2-CD1 4.06Å; V134-L136 PolarHBondContact O-N 2.87Å; L136-T138 HydrophobicContact CD2-CG2 3.9Å; L136-L154 PolarHBondContact N-O 3.42Å; L136-T155 HydrophobicContact CD2-CG2 3.74Å; L136-T155 CarbonylContact O-C 3.57Å; L136-T155 WeakPolarHBondContact O-CA 3.32Å; L136-T156 PolarHBondContact O-N 3.32Å
137	L	97.8	Very high	95.2	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.1	179	-66.2	154.9	0	0	0	109.1	F113 L114 G115 T156 Y360 M384	F113-L137 PolarHBondContact O-N 3.49Å; L114-L137 CarbonylContact C-O 3.52Å; L114-L137 WeakPolarHBondContact CA-O 3.35Å; L114-L137 HydrophobicContact CD1-CB 3.92Å; G115-L137 PolarHBondContact N-O 3.39Å; L137-T156 HydrophobicContact CD2-CG2 4.42Å; L137-Y360 VanDerWaalsContact CD1-CB 3.42Å; L137-Y360 HydrophobicContact CD1-CD1 4.06Å; L137-Y360 HydrophobicContact CD1-CD2 3.69Å; L137-Y360 HydrophobicContact CD1-CE2 4.46Å; L137-Y360 HydrophobicContact CD1-CG 3.45Å; L137-Y360 VanDerWaalsContact CD1-CG 3.45Å; L137-M384 HydrophobicContact CD2-CE 3.99Å; L137-M384 HydrophobicContact CD2-SD 3.77Å
138	T	97.4	Very high	95	Very high	1 Å²	1	33 Å²	33	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	146.1	175.8	-173.9	0	0	0	0	111.5	P116 L136 G140 A141 T156 R157 A158	P116-T138 PolarHBondContact O-OG1 2.87Å; L136-T138 HydrophobicContact CD2-CG2 3.9Å; T138-G140 PolarHBondContact OG1-N 3.11Å; T138-A141 HydrophobicContact CG2-CB 3.89Å; T138-T156 PolarHBondContact N-O 3.47Å; T138-T156 VanDerWaalsContact N-O 3.14Å; T138-R157 HydrophobicContact CG2-CG 4.15Å; T138-R157 CarbonylContact O-C 3.58Å; T138-R157 VanDerWaalsContact O-CA 3.3Å; T138-R157 WeakPolarHBondContact O-CA 3.43Å; T138-A158 PolarHBondContact O-N 3.01Å
139	A	95.9	Very high	94.7	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.008	16%	0.163	C	C	.	.	S	Bend	trans	-102.1	8.1	166.4	0	0	0	0	0	113.2	I349 F353	A139-I349 HydrophobicContact CB-CG2 4.37Å; A139-F353 HydrophobicContact CB-CD1 4.36Å; A139-F353 HydrophobicContact CB-CD2 3.56Å; A139-F353 HydrophobicContact CB-CE1 4.47Å; A139-F353 HydrophobicContact CB-CE2 3.66Å; A139-F353 HydrophobicContact CB-CG 3.92Å; A139-F353 HydrophobicContact CB-CZ 4.14Å; A139-F353 VanDerWaalsContact N-CZ 3.33Å
140	G	92	Very high	94.4	Very high	2 Å²	2	38 Å²	38	2%	0.021	20%	0.203	C	C	.	.			trans	-108.2	-138.3	167.2	0	0	0	0	0	111	T138 P142	T138-G140 PolarHBondContact OG1-N 3.11Å; G140-P142 VanDerWaalsContact C-CD 3.42Å; G140-P142 VanDerWaalsContact C-N 3.35Å
141	A	94.1	Very high	94.2	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.008	22%	0.219	C	C	.	.			trans	46.4	50.8	-176.3	0	0	0	0	0	113.3	G117 A122 T138 A143 F146 R157	G117-A141 PolarHBondContact O-N 2.9Å; A122-A141 HydrophobicContact CB-CB 3.73Å; T138-A141 HydrophobicContact CG2-CB 3.89Å; A141-A143 PolarHBondContact O-N 2.97Å; A141-F146 HydrophobicContact CB-CD1 4.43Å; A141-F146 HydrophobicContact CB-CD2 3.79Å; A141-F146 HydrophobicContact CB-CE1 4.32Å; A141-F146 HydrophobicContact CB-CE2 3.66Å; A141-F146 HydrophobicContact CB-CG 4.18Å; A141-F146 HydrophobicContact CB-CZ 3.95Å; A141-F146 VanDerWaalsContact O-CD2 3.27Å; A141-F146 WeakPolarHBondContact O-CD2 3.5Å; A141-R157 WeakPolarHBondContact O-CD 3.1Å; A141-R157 PolarHBondContact O-NH1 3.44Å
142	P	94	Very high	94.1	Very high	6 Å²	6	35.7 Å²	35.7	4%	0.039	19%	0.189	C	C	.	.			trans	-74.9	-9.9	-170.3	31.6	-38.7	0	0	0	114.4	V119 G140 R157 Y162	V119-P142 HydrophobicContact CG2-CG 4.43Å; G140-P142 VanDerWaalsContact C-CD 3.42Å; G140-P142 VanDerWaalsContact C-N 3.35Å; P142-R157 PolarHBondContact O-NH1 3.45Å; P142-Y162 HydrophobicContact CB-CD1 3.91Å; P142-Y162 HydrophobicContact CB-CD2 3.79Å; P142-Y162 HydrophobicContact CB-CE1 3.84Å; P142-Y162 HydrophobicContact CB-CE2 3.75Å; P142-Y162 HydrophobicContact CB-CG 3.89Å; P142-Y162 HydrophobicContact CG-CD1 4.4Å; P142-Y162 HydrophobicContact CG-CD2 3.85Å; P142-Y162 HydrophobicContact CG-CE1 3.89Å; P142-Y162 HydrophobicContact CG-CE2 3.3Å; P142-Y162 HydrophobicContact CG-CG 4.38Å; P142-Y162 PolarHBondContact O-N 3.38Å
143	A	94.1	Very high	94	Very high	4 Å²	4	34.2 Å²	34.2	3%	0.033	19%	0.191	C	C	.	.	S	Bend	trans	-57.8	155.7	-175.8	0	0	0	0	0	113.6	V119 A141 G145 F146 R157 F198	V119-A143 HydrophobicContact CB-CB 4.36Å; V119-A143 HydrophobicContact CG1-CB 3.62Å; V119-A143 HydrophobicContact CG2-CB 3.76Å; A141-A143 PolarHBondContact O-N 2.97Å; A143-G145 VanDerWaalsContact C-N 3.33Å; A143-G145 PolarHBondContact O-N 2.77Å; A143-F146 HydrophobicContact CB-CD2 4.06Å; A143-F146 HydrophobicContact CB-CE2 4.21Å; A143-F146 PolarHBondContact O-N 3.18Å; A143-R157 PolarHBondContact O-NH1 2.95Å; A143-F198 HydrophobicContact CB-CB 4.33Å; A143-F198 HydrophobicContact CB-CD1 3.75Å; A143-F198 HydrophobicContact CB-CE1 4.31Å; A143-F198 HydrophobicContact CB-CG 4.1Å
144	L	92.6	Very high	94	Very high	47 Å²	47	27.4 Å²	27.4	25%	0.246	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-61.3	-40.1	-176.5	-178.7	66.2	0	0	0	112.3	F146 G147 A163 M205	L144-F146 PolarHBondContact O-N 3.22Å; L144-F146 VanDerWaalsContact O-N 3.14Å; L144-G147 PolarHBondContact O-N 3.25Å; L144-A163 HydrophobicContact CD1-CB 4.07Å; L144-M205 HydrophobicContact CD2-CB 3.61Å; L144-M205 HydrophobicContact CD2-CG 3.5Å; L144-M205 VanDerWaalsContact CD2-CG 3.5Å
145	G	90.9	Very high	94	Very high	37 Å²	37	27.1 Å²	27.1	38%	0.381	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-56.1	-31.8	-176.2	0	0	0	0	0	114.8	A143 G147 V148 Y152	A143-G145 VanDerWaalsContact C-N 3.33Å; A143-G145 PolarHBondContact O-N 2.77Å; G145-G147 PolarHBondContact O-N 2.74Å; G145-V148 WeakPolarHBondContact O-CB 3.45Å; G145-V148 PolarHBondContact O-N 2.85Å; G145-Y152 WeakPolarHBondContact O-CD2 3.22Å; G145-Y152 WeakPolarHBondContact O-CE2 3.44Å
146	F	93.1	Very high	94	Very high	6 Å²	6	27 Å²	27	3%	0.026	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-70.7	-7.9	176.8	-64.8	-74.1	0	0	0	114.3	V119 A122 A123 A141 A143 L144 V148 K149 Y152	V119-F146 HydrophobicContact CB-CE2 4.48Å; V119-F146 HydrophobicContact CG1-CE2 4.05Å; A122-F146 HydrophobicContact CB-CE1 3.92Å; A122-F146 HydrophobicContact CB-CE2 4.45Å; A122-F146 HydrophobicContact CB-CZ 3.59Å; A123-F146 HydrophobicContact CB-CE1 4.34Å; A123-F146 HydrophobicContact CB-CZ 3.99Å; A141-F146 HydrophobicContact CB-CD1 4.43Å; A141-F146 HydrophobicContact CB-CD2 3.79Å; A141-F146 HydrophobicContact CB-CE1 4.32Å; A141-F146 HydrophobicContact CB-CE2 3.66Å; A141-F146 HydrophobicContact CB-CG 4.18Å; A141-F146 HydrophobicContact CB-CZ 3.95Å; A141-F146 VanDerWaalsContact O-CD2 3.27Å; A141-F146 WeakPolarHBondContact O-CD2 3.5Å; A143-F146 HydrophobicContact CB-CD2 4.06Å; A143-F146 HydrophobicContact CB-CE2 4.21Å; A143-F146 PolarHBondContact O-N 3.18Å; L144-F146 PolarHBondContact O-N 3.22Å; L144-F146 VanDerWaalsContact O-N 3.14Å; F146-V148 VanDerWaalsContact C-N 3.27Å; F146-K149 WeakPolarHBondContact O-CD 3.43Å; F146-K149 WeakPolarHBondContact O-CE 3.45Å; F146-K149 PolarHBondContact O-NZ 3.05Å; F146-Y152 AromaticContact CD1-CD1 3.75Å; F146-Y152 HydrophobicContact CD1-CD1 3.75Å; F146-Y152 HydrophobicContact CD1-CD2 4.2Å; F146-Y152 AromaticContact CD1-CE1 3.81Å; F146-Y152 HydrophobicContact CD1-CE1 3.81Å; F146-Y152 HydrophobicContact CD1-CE2 4.27Å; F146-Y152 AromaticContact CD1-CG 3.95Å; F146-Y152 HydrophobicContact CD1-CG 3.95Å; F146-Y152 AromaticContact CE1-CD1 3.97Å; F146-Y152 HydrophobicContact CE1-CD1 3.97Å; F146-Y152 AromaticContact CE1-CE1 3.66Å; F146-Y152 HydrophobicContact CE1-CE1 3.66Å
147	G	88.6	Confident	93.9	Very high	32 Å²	32	27 Å²	27	33%	0.33	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-73.2	-18.4	168.9	0	0	0	0	0	113	L144 G145 K149	L144-G147 PolarHBondContact O-N 3.25Å; G145-G147 PolarHBondContact O-N 2.74Å; G147-K149 PolarHBondContact O-N 3.31Å
148	V	92.3	Very high	93.8	Very high	72 Å²	72	27.2 Å²	27.2	44%	0.436	17%	0.165	S	C	.	.			trans	-81.7	84.5	176.3	-173.3	0	0	0	0	109.4	G145 F146 D150 E151 Y152	G145-V148 WeakPolarHBondContact O-CB 3.45Å; G145-V148 PolarHBondContact O-N 2.85Å; F146-V148 VanDerWaalsContact C-N 3.27Å; V148-D150 HydrophobicContact CG1-CB 4.39Å; V148-D150 PolarHBondContact O-N 2.77Å; V148-E151 PolarHBondContact O-N 2.64Å; V148-Y152 WeakPolarHBondContact O-CD2 3.41Å; V148-Y152 PolarHBondContact O-N 3.18Å; V148-Y152 VanDerWaalsContact O-N 3.1Å
149	K	90.7	Very high	93.6	Very high	26 Å²	26	27.1 Å²	27.1	11%	0.113	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-5.5	-176.3	-59.2	-51.5	-171.6	-171.1	0	114.9	F146 G147 Y152 A153 T155 W385 S401 D403	F146-K149 WeakPolarHBondContact O-CD 3.43Å; F146-K149 WeakPolarHBondContact O-CE 3.45Å; F146-K149 PolarHBondContact O-NZ 3.05Å; G147-K149 PolarHBondContact O-N 3.31Å; K149-Y152 CarbonylContact O-C 3.56Å; K149-A153 WeakPolarHBondContact O-CA 3.34Å; K149-A153 PolarHBondContact O-N 2.97Å; K149-A153 VanDerWaalsContact O-N 3.08Å; K149-T155 WeakPolarHBondContact CE-O 3.34Å; K149-T155 PolarHBondContact NZ-O 2.93Å; K149-W385 HydrophobicContact CB-CH2 3.87Å; K149-W385 HydrophobicContact CB-CZ3 4.39Å; K149-W385 HydrophobicContact CD-CH2 4.12Å; K149-W385 HydrophobicContact CD-CZ2 4.36Å; K149-W385 HydrophobicContact CG-CH2 3.72Å; K149-W385 HydrophobicContact CG-CZ2 4.4Å; K149-W385 HydrophobicContact CG-CZ3 4.28Å; K149-S401 WeakPolarHBondContact CE-O 3.28Å; K149-S401 VanDerWaalsContact CG-O 3.27Å; K149-S401 WeakPolarHBondContact CG-O 3.47Å; K149-D403 WeakPolarHBondContact CE-OD1 3.42Å; K149-D403 IonicContact NZ-OD1 3.34Å; K149-D403 PolarHBondContact NZ-OD1 2.88Å; K149-D403 IonicContact NZ-OD2 3.2Å
150	D	90.6	Very high	93.5	Very high	160 Å²	160	27.8 Å²	27.8	86%	0.856	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-39.4	169.3	-65.5	-29.5	0	0	0	111.2	V148	V148-D150 HydrophobicContact CG1-CB 4.39Å; V148-D150 PolarHBondContact O-N 2.77Å
151	E	91.6	Very high	93.6	Very high	104 Å²	104	27.7 Å²	27.7	49%	0.486	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-43.2	172.7	-71.1	-170.8	-164.8	0	0	111.8	R127 A130 V148 A153	R127-E151 IonicContact NH1-OE2 3.19Å; R127-E151 PolarHBondContact NH1-OE2 3.2Å; R127-E151 VanDerWaalsContact NH1-OE2 3.17Å; A130-E151 WeakPolarHBondContact CB-O 3.26Å; V148-E151 PolarHBondContact O-N 2.64Å; E151-A153 VanDerWaalsContact C-N 3.33Å; E151-A153 PolarHBondContact O-N 3.01Å
152	Y	95.8	Very high	93.6	Very high	13 Å²	13	27.9 Å²	27.9	5%	0.051	17%	0.169	C	C	.	.	S	Bend	trans	-99	47.8	-176.4	-60.9	-76.1	0	0	0	111.8	A123 R127 G145 F146 V148 K149 T155	A123-Y152 WeakPolarHBondContact O-CE1 3.48Å; R127-Y152 HydrophobicContact CG-CD1 4.46Å; R127-Y152 HydrophobicContact CG-CE1 3.94Å; G145-Y152 WeakPolarHBondContact O-CD2 3.22Å; G145-Y152 WeakPolarHBondContact O-CE2 3.44Å; F146-Y152 AromaticContact CD1-CD1 3.75Å; F146-Y152 HydrophobicContact CD1-CD1 3.75Å; F146-Y152 HydrophobicContact CD1-CD2 4.2Å; F146-Y152 AromaticContact CD1-CE1 3.81Å; F146-Y152 HydrophobicContact CD1-CE1 3.81Å; F146-Y152 HydrophobicContact CD1-CE2 4.27Å; F146-Y152 AromaticContact CD1-CG 3.95Å; F146-Y152 HydrophobicContact CD1-CG 3.95Å; F146-Y152 AromaticContact CE1-CD1 3.97Å; F146-Y152 HydrophobicContact CE1-CD1 3.97Å; F146-Y152 AromaticContact CE1-CE1 3.66Å; F146-Y152 HydrophobicContact CE1-CE1 3.66Å; V148-Y152 WeakPolarHBondContact O-CD2 3.41Å; V148-Y152 PolarHBondContact O-N 3.18Å; V148-Y152 VanDerWaalsContact O-N 3.1Å; K149-Y152 CarbonylContact O-C 3.56Å; Y152-T155 VanDerWaalsContact O-CB 3.28Å; Y152-T155 WeakPolarHBondContact O-CB 3.31Å; Y152-T155 PolarHBondContact O-N 3.08Å; Y152-T155 PolarHBondContact O-OG1 2.87Å
153	A	92.8	Very high	93.5	Very high	35 Å²	35	28.4 Å²	28.4	29%	0.289	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	141.6	178.9	0	0	0	0	0	110.5	A130 K149 E151 T155	A130-A153 HydrophobicContact CB-CB 4.03Å; K149-A153 WeakPolarHBondContact O-CA 3.34Å; K149-A153 PolarHBondContact O-N 2.97Å; K149-A153 VanDerWaalsContact O-N 3.08Å; E151-A153 VanDerWaalsContact C-N 3.33Å; E151-A153 PolarHBondContact O-N 3.01Å; A153-T155 PolarHBondContact O-N 3.42Å; A153-T155 VanDerWaalsContact O-N 3.13Å
154	L	95.7	Very high	93.5	Very high	14 Å²	14	28.8 Å²	28.8	7%	0.073	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	6.7	-178.8	-43	177.8	0	0	0	115.9	R133 L136 E378 T381	R133-L154 HydrophobicContact CB-CD1 4.22Å; R133-L154 WeakPolarHBondContact O-CD1 3.22Å; L136-L154 PolarHBondContact N-O 3.42Å; L154-E378 HydrophobicContact CD2-CB 4.41Å; L154-E378 HydrophobicContact CD2-CG 3.82Å; L154-T381 HydrophobicContact CD2-CG2 4.04Å
155	T	97.7	Very high	93.7	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	114.7	173.4	-62.4	0	0	0	0	110.6	L136 K149 Y152 A153	L136-T155 HydrophobicContact CD2-CG2 3.74Å; L136-T155 CarbonylContact O-C 3.57Å; L136-T155 WeakPolarHBondContact O-CA 3.32Å; K149-T155 WeakPolarHBondContact CE-O 3.34Å; K149-T155 PolarHBondContact NZ-O 2.93Å; Y152-T155 VanDerWaalsContact O-CB 3.28Å; Y152-T155 WeakPolarHBondContact O-CB 3.31Å; Y152-T155 PolarHBondContact O-N 3.08Å; Y152-T155 PolarHBondContact O-OG1 2.87Å; A153-T155 PolarHBondContact O-N 3.42Å; A153-T155 VanDerWaalsContact O-N 3.13Å
156	T	97.7	Very high	93.8	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120.3	178	-53	0	0	0	0	110.2	L136 L137 T138 W385 I398 G402	L136-T156 PolarHBondContact O-N 3.32Å; L137-T156 HydrophobicContact CD2-CG2 4.42Å; T138-T156 PolarHBondContact N-O 3.47Å; T138-T156 VanDerWaalsContact N-O 3.14Å; T156-W385 PolarHBondContact OG1-NE1 3.42Å; T156-I398 HydrophobicContact CG2-CG2 4.22Å; T156-G402 WeakPolarHBondContact CA-O 3.39Å
157	R	97.3	Very high	93.8	Very high	2 Å²	2	25 Å²	25	1%	0.008	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	103.9	178	-65.7	-171.2	-68.4	-177.5	-3.6	109.8	T138 A141 P142 A143 G159 G402 D403 R404	T138-R157 HydrophobicContact CG2-CG 4.15Å; T138-R157 CarbonylContact O-C 3.58Å; T138-R157 VanDerWaalsContact O-CA 3.3Å; T138-R157 WeakPolarHBondContact O-CA 3.43Å; A141-R157 WeakPolarHBondContact O-CD 3.1Å; A141-R157 PolarHBondContact O-NH1 3.44Å; P142-R157 PolarHBondContact O-NH1 3.45Å; A143-R157 PolarHBondContact O-NH1 2.95Å; R157-G159 VanDerWaalsContact C-N 3.34Å; R157-G402 PolarHBondContact N-O 3.3Å; R157-D403 IonicContact CZ-OD1 2.75Å; R157-D403 IonicContact CZ-OD2 2.73Å; R157-D403 VanDerWaalsContact NE-CG 3.33Å; R157-D403 IonicContact NE-OD1 2.8Å; R157-D403 PolarHBondContact NE-OD1 3.21Å; R157-D403 IonicContact NE-OD2 3.88Å; R157-D403 IonicContact NH2-OD1 3.04Å; R157-D403 PolarHBondContact NH2-OD1 3.34Å; R157-D403 IonicContact NH2-OD2 3.82Å; R157-D403 PolarHBondContact NH2-OD2 3.09Å; R157-R404 WeakPolarHBondContact O-CB 3.39Å; R157-R404 PolarHBondContact O-N 3.12Å
158	A	95.5	Very high	94.2	Very high	5 Å²	5	23.4 Å²	23.4	4%	0.041	13%	0.13	C	C	.	.			trans	-85.8	-8.2	178.6	0	0	0	0	0	113.3	T138 R404	T138-A158 PolarHBondContact O-N 3.01Å; A158-R404 WeakPolarHBondContact O-CD 3.42Å; A158-R404 PolarHBondContact O-NH1 3.3Å
159	G	93.8	Very high	94.4	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-106.5	-175.5	174.9	0	0	0	0	0	112.4	R157	R157-G159 VanDerWaalsContact C-N 3.34Å
160	P	92.9	Very high	94.5	Very high	14 Å²	14	18.8 Å²	18.8	9%	0.091	10%	0.104	C	C	.	.			trans	-61.7	153.1	179.8	-24.6	35.8	0	0	0	114.1	Y314 I349 T406	P160-Y314 HydrophobicContact CB-CD1 4.23Å; P160-Y314 HydrophobicContact CB-CE1 3.44Å; P160-Y314 VanDerWaalsContact CB-CE1 3.44Å; P160-Y314 HydrophobicContact CB-CE2 4Å; P160-Y314 VanDerWaalsContact CB-OH 3.26Å; P160-Y314 WeakPolarHBondContact CB-OH 3.41Å; P160-Y314 HydrophobicContact CG-CD1 4.24Å; P160-Y314 HydrophobicContact CG-CD2 4.28Å; P160-Y314 HydrophobicContact CG-CE1 3.88Å; P160-Y314 HydrophobicContact CG-CE2 3.88Å; P160-Y314 HydrophobicContact CG-CG 4.46Å; P160-I349 HydrophobicContact CG-CD1 4.33Å; P160-T406 WeakPolarHBondContact CA-OG1 3.37Å; P160-T406 HydrophobicContact CB-CG2 3.85Å; P160-T406 HydrophobicContact CG-CG2 4.26Å
161	S	93.6	Very high	94.8	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.007	7%	0.069	C	C	.	.			trans	-130.4	146.2	168.8	62.5	0	0	0	0	111.7	A163 K164	S161-A163 VanDerWaalsContact C-N 3.27Å; S161-A163 PolarHBondContact O-N 2.94Å; S161-K164 WeakPolarHBondContact O-CB 3.48Å; S161-K164 PolarHBondContact O-N 2.97Å; S161-K164 VanDerWaalsContact O-N 3.1Å; S161-K164 WeakPolarHBondContact OG-CG 3.3Å
162	Y	93.5	Very high	94.9	Very high	5 Å²	5	6.9 Å²	6.9	2%	0.02	5%	0.046	C	C	.	.	H	α-helix	trans	-69.2	-24.9	-174.4	-63.2	-35.7	0	0	0	113.2	P142 K164 L165 F198 L199 I275	P142-Y162 HydrophobicContact CB-CD1 3.91Å; P142-Y162 HydrophobicContact CB-CD2 3.79Å; P142-Y162 HydrophobicContact CB-CE1 3.84Å; P142-Y162 HydrophobicContact CB-CE2 3.75Å; P142-Y162 HydrophobicContact CB-CG 3.89Å; P142-Y162 HydrophobicContact CG-CD1 4.4Å; P142-Y162 HydrophobicContact CG-CD2 3.85Å; P142-Y162 HydrophobicContact CG-CE1 3.89Å; P142-Y162 HydrophobicContact CG-CE2 3.3Å; P142-Y162 HydrophobicContact CG-CG 4.38Å; P142-Y162 PolarHBondContact O-N 3.38Å; Y162-K164 PolarHBondContact O-N 3.2Å; Y162-L165 VanDerWaalsContact O-CB 3.31Å; Y162-L165 WeakPolarHBondContact O-CB 3.35Å; Y162-L165 PolarHBondContact O-N 3.1Å; Y162-L165 VanDerWaalsContact O-N 3.17Å; Y162-F198 HydrophobicContact CD2-CB 3.73Å; Y162-F198 VanDerWaalsContact CD2-O 3.28Å; Y162-F198 WeakPolarHBondContact CD2-O 3.43Å; Y162-F198 HydrophobicContact CE2-CB 3.57Å; Y162-L199 HydrophobicContact CD1-CB 4.08Å; Y162-L199 HydrophobicContact CD1-CD1 4.27Å; Y162-L199 HydrophobicContact CD1-CG 4.03Å; Y162-L199 HydrophobicContact CD2-CB 4.25Å; Y162-L199 HydrophobicContact CE1-CB 4.08Å; Y162-L199 HydrophobicContact CE1-CD1 4Å; Y162-L199 HydrophobicContact CE1-CG 4.17Å; Y162-L199 HydrophobicContact CE2-CB 4.21Å; Y162-L199 HydrophobicContact CG-CB 4.18Å; Y162-L199 HydrophobicContact CG-CG 4.48Å; Y162-I275 HydrophobicContact CE1-CD1 3.78Å
163	A	92.9	Very high	94.9	Very high	16 Å²	16	6.3 Å²	6.3	13%	0.132	4%	0.043	C	C	.	.	H	α-helix	trans	-59.6	-35.1	171.7	0	0	0	0	0	112.1	L144 S161 L165 G166 D167 R206	L144-A163 HydrophobicContact CD1-CB 4.07Å; S161-A163 VanDerWaalsContact C-N 3.27Å; S161-A163 PolarHBondContact O-N 2.94Å; A163-L165 VanDerWaalsContact C-N 3.27Å; A163-L165 PolarHBondContact O-N 2.8Å; A163-G166 PolarHBondContact O-N 3.01Å; A163-G166 VanDerWaalsContact O-N 3.13Å; A163-D167 PolarHBondContact O-N 3.35Å; A163-R206 WeakPolarHBondContact O-CG 3.37Å
164	K	94.8	Very high	94.9	Very high	13 Å²	13	11.2 Å²	11.2	6%	0.057	5%	0.054	C	C	.	.	H	α-helix	trans	-69.9	-25.2	179.7	-58.5	-64.2	-176.7	174.1	0	112.6	S161 Y162 G166 D167 F168 D399 E405 F408	S161-K164 WeakPolarHBondContact O-CB 3.48Å; S161-K164 PolarHBondContact O-N 2.97Å; S161-K164 VanDerWaalsContact O-N 3.1Å; S161-K164 WeakPolarHBondContact OG-CG 3.3Å; Y162-K164 PolarHBondContact O-N 3.2Å; K164-G166 VanDerWaalsContact C-N 3.29Å; K164-G166 PolarHBondContact O-N 2.95Å; K164-D167 PolarHBondContact O-N 3.25Å; K164-F168 PolarHBondContact O-N 3.2Å; K164-F168 VanDerWaalsContact O-N 3.1Å; K164-D399 IonicContact NZ-OD2 3.45Å; K164-D399 PolarHBondContact NZ-OD2 2.89Å; K164-E405 WeakPolarHBondContact CD-OE2 3.22Å; K164-E405 VanDerWaalsContact CE-OE2 3.3Å; K164-E405 WeakPolarHBondContact CE-OE2 3.49Å; K164-E405 IonicContact NZ-OE1 3.64Å; K164-E405 PolarHBondContact NZ-OE1 3.44Å; K164-E405 IonicContact NZ-OE2 3.08Å; K164-E405 PolarHBondContact NZ-OE2 3.24Å; K164-F408 HydrophobicContact CB-CE2 4.2Å
165	L	95.1	Very high	94.8	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-62.8	-39	171.2	178.5	63.2	0	0	0	111	Y162 A163 D167 F168 V169 L199 L203 L273 I312 F408	Y162-L165 VanDerWaalsContact O-CB 3.31Å; Y162-L165 WeakPolarHBondContact O-CB 3.35Å; Y162-L165 PolarHBondContact O-N 3.1Å; Y162-L165 VanDerWaalsContact O-N 3.17Å; A163-L165 VanDerWaalsContact C-N 3.27Å; A163-L165 PolarHBondContact O-N 2.8Å; L165-D167 VanDerWaalsContact C-N 3.35Å; L165-F168 HydrophobicContact CD1-CD1 4.05Å; L165-F168 WeakPolarHBondContact O-CB 3.39Å; L165-F168 PolarHBondContact O-N 3.36Å; L165-V169 WeakPolarHBondContact O-CG2 3.38Å; L165-V169 PolarHBondContact O-N 3.24Å; L165-L199 HydrophobicContact CD2-CD1 4.3Å; L165-L199 HydrophobicContact CD2-CD2 3.45Å; L165-L199 VanDerWaalsContact CD2-CD2 3.45Å; L165-L199 HydrophobicContact CD2-CG 3.75Å; L165-L203 HydrophobicContact CD2-CD1 3.78Å; L165-L203 HydrophobicContact CG-CD1 3.94Å; L165-L203 HydrophobicContact CG-CG 4.4Å; L165-L273 HydrophobicContact CD2-CD2 4.36Å; L165-I312 HydrophobicContact CD1-CG2 3.88Å; L165-F408 HydrophobicContact CB-CE1 4.12Å; L165-F408 HydrophobicContact CB-CZ 3.78Å; L165-F408 HydrophobicContact CD1-CD1 3.98Å; L165-F408 HydrophobicContact CD1-CE1 3.66Å; L165-F408 HydrophobicContact CD1-CZ 4.09Å; L165-F408 HydrophobicContact CG-CE1 4.45Å
166	G	93.8	Very high	94.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-68.1	-31.3	175	0	0	0	0	0	113.7	A163 K164 V169 A170	A163-G166 PolarHBondContact O-N 3.01Å; A163-G166 VanDerWaalsContact O-N 3.13Å; K164-G166 VanDerWaalsContact C-N 3.29Å; K164-G166 PolarHBondContact O-N 2.95Å; G166-V169 PolarHBondContact O-N 3.4Å; G166-A170 VanDerWaalsContact O-CB 3.27Å; G166-A170 WeakPolarHBondContact O-CB 3.48Å; G166-A170 PolarHBondContact O-N 2.88Å
167	D	94.1	Very high	94.3	Very high	8 Å²	8	19.6 Å²	19.6	4%	0.043	10%	0.101	C	C	.	.	H	α-helix	trans	-65.4	-39.9	170.7	-76.8	-49	0	0	0	111.2	A163 K164 L165 A170 A171 R206 R210	A163-D167 PolarHBondContact O-N 3.35Å; K164-D167 PolarHBondContact O-N 3.25Å; L165-D167 VanDerWaalsContact C-N 3.35Å; D167-A170 PolarHBondContact O-N 3.14Å; D167-A171 PolarHBondContact O-N 2.97Å; D167-R206 VanDerWaalsContact CG-NE 3.26Å; D167-R206 IonicContact OD1-CZ 3.82Å; D167-R206 VanDerWaalsContact OD1-CZ 3.24Å; D167-R206 IonicContact OD1-NE 2.74Å; D167-R206 PolarHBondContact OD1-NE 2.93Å; D167-R206 IonicContact OD1-NH2 3.89Å; D167-R206 PolarHBondContact OD1-NH2 2.92Å; D167-R206 VanDerWaalsContact OD1-NH2 3.09Å; D167-R206 IonicContact OD2-CZ 3.45Å; D167-R206 IonicContact OD2-NE 3.22Å; D167-R206 PolarHBondContact OD2-NE 3.1Å; D167-R206 IonicContact OD2-NH2 2.63Å; D167-R206 PolarHBondContact OD2-NH2 3.06Å; D167-R210 IonicContact OD1-CZ 3.92Å; D167-R210 IonicContact OD1-NE 3.85Å; D167-R210 PolarHBondContact OD1-NE 2.9Å; D167-R210 IonicContact OD1-NH2 3.84Å; D167-R210 PolarHBondContact OD1-NH2 3.34Å; D167-R210 VanDerWaalsContact OD1-NH2 3.15Å
168	F	96	Very high	94.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.7	-49.7	172.2	164.1	-110.8	0	0	0	112.4	K164 L165 A170 A171 L172 I312 F408 L410 Y426 L433	K164-F168 PolarHBondContact O-N 3.2Å; K164-F168 VanDerWaalsContact O-N 3.1Å; L165-F168 HydrophobicContact CD1-CD1 4.05Å; L165-F168 WeakPolarHBondContact O-CB 3.39Å; L165-F168 PolarHBondContact O-N 3.36Å; F168-A170 VanDerWaalsContact C-N 3.26Å; F168-A170 PolarHBondContact O-N 3.08Å; F168-A171 WeakPolarHBondContact O-CB 3.43Å; F168-A171 PolarHBondContact O-N 3.46Å; F168-A171 VanDerWaalsContact O-N 3.15Å; F168-L172 HydrophobicContact CZ-CD2 4.4Å; F168-L172 PolarHBondContact O-N 2.98Å; F168-I312 HydrophobicContact CD1-CG2 4.05Å; F168-I312 HydrophobicContact CE1-CB 4.33Å; F168-I312 HydrophobicContact CE1-CD1 3.76Å; F168-I312 HydrophobicContact CE1-CG1 3.83Å; F168-I312 HydrophobicContact CE1-CG2 3.54Å; F168-I312 HydrophobicContact CZ-CG1 4.43Å; F168-I312 HydrophobicContact CZ-CG2 4.4Å; F168-F408 HydrophobicContact CB-CB 4.48Å; F168-F408 HydrophobicContact CB-CD2 3.75Å; F168-F408 HydrophobicContact CB-CE2 4.26Å; F168-F408 HydrophobicContact CB-CG 4.23Å; F168-F408 HydrophobicContact CD1-CB 4.23Å; F168-F408 HydrophobicContact CD1-CG 4.35Å; F168-F408 HydrophobicContact CD2-CB 4.08Å; F168-F408 HydrophobicContact CE1-CB 4.5Å; F168-F408 HydrophobicContact CE2-CB 4.32Å; F168-F408 HydrophobicContact CG-CB 3.99Å; F168-F408 HydrophobicContact CG-CD2 4.18Å; F168-F408 HydrophobicContact CG-CG 4.17Å; F168-L410 HydrophobicContact CZ-CB 4.38Å; F168-Y426 HydrophobicContact CB-CD1 3.84Å; F168-Y426 HydrophobicContact CB-CE1 3.97Å; F168-Y426 HydrophobicContact CB-CG 4.13Å; F168-Y426 HydrophobicContact CD2-CD1 4.05Å; F168-Y426 AromaticContact CD2-CD2 3.95Å; F168-Y426 HydrophobicContact CD2-CD2 3.95Å; F168-Y426 AromaticContact CD2-CG 3.52Å; F168-Y426 HydrophobicContact CD2-CG 3.52Å; F168-Y426 HydrophobicContact CE2-CG 4.4Å; F168-Y426 HydrophobicContact CG-CD1 4.38Å; F168-Y426 HydrophobicContact CG-CG 4.28Å; F168-L433 HydrophobicContact CD2-CD2 3.93Å; F168-L433 HydrophobicContact CE2-CD2 3.61Å
169	V	95.8	Very high	94	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.9	-39.5	178.2	171.3	0	0	0	0	110.6	L165 G166 A171 L172 H173 L203 V207 Y243	L165-V169 WeakPolarHBondContact O-CG2 3.38Å; L165-V169 PolarHBondContact O-N 3.24Å; G166-V169 PolarHBondContact O-N 3.4Å; V169-A171 VanDerWaalsContact C-N 3.35Å; V169-A171 PolarHBondContact O-N 3.08Å; V169-L172 WeakPolarHBondContact O-CB 3.1Å; V169-L172 PolarHBondContact O-N 3.19Å; V169-L172 VanDerWaalsContact O-N 3.16Å; V169-H173 WeakPolarHBondContact O-CB 3.49Å; V169-H173 PolarHBondContact O-CD2 2.8Å; V169-H173 VanDerWaalsContact O-CD2 3.26Å; V169-H173 PolarHBondContact O-N 3.07Å; V169-L203 HydrophobicContact CG1-CD2 4.42Å; V169-L203 HydrophobicContact CG2-CD1 3.98Å; V169-L203 HydrophobicContact CG2-CD2 4.46Å; V169-L203 HydrophobicContact CG2-CG 4.17Å; V169-V207 HydrophobicContact CB-CG2 3.92Å; V169-V207 HydrophobicContact CG1-CG2 3.64Å; V169-Y243 HydrophobicContact CG1-CE1 4.25Å; V169-Y243 HydrophobicContact CG1-CE2 4.12Å; V169-Y243 HydrophobicContact CG2-CE1 4.03Å
170	A	94.5	Very high	93.8	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.008	16%	0.162	C	C	.	.	H	α-helix	trans	-61.6	-42.1	175.7	0	0	0	0	0	112.4	G166 D167 F168 L172 R174 R210 L211	G166-A170 VanDerWaalsContact O-CB 3.27Å; G166-A170 WeakPolarHBondContact O-CB 3.48Å; G166-A170 PolarHBondContact O-N 2.88Å; D167-A170 PolarHBondContact O-N 3.14Å; F168-A170 VanDerWaalsContact C-N 3.26Å; F168-A170 PolarHBondContact O-N 3.08Å; A170-L172 VanDerWaalsContact C-N 3.34Å; A170-R174 WeakPolarHBondContact O-CG 3.43Å; A170-R174 PolarHBondContact O-N 3.16Å; A170-R174 VanDerWaalsContact O-N 3.13Å; A170-R210 HydrophobicContact CB-CB 3.94Å; A170-R210 HydrophobicContact CB-CG 4.48Å; A170-L211 HydrophobicContact CB-CD1 4.17Å; A170-L211 HydrophobicContact CB-CD2 4.21Å; A170-L211 HydrophobicContact CB-CG 3.99Å
171	A	95.2	Very high	93.8	Very high	14 Å²	14	34.9 Å²	34.9	12%	0.116	16%	0.163	C	C	.	.	H	α-helix	trans	-65	-38.1	174.2	0	0	0	0	0	112.1	D167 F168 V169 R174 R175 Y426 L433	D167-A171 PolarHBondContact O-N 2.97Å; F168-A171 WeakPolarHBondContact O-CB 3.43Å; F168-A171 PolarHBondContact O-N 3.46Å; F168-A171 VanDerWaalsContact O-N 3.15Å; V169-A171 VanDerWaalsContact C-N 3.35Å; V169-A171 PolarHBondContact O-N 3.08Å; A171-R174 PolarHBondContact O-N 2.79Å; A171-R175 PolarHBondContact O-N 3.38Å; A171-Y426 HydrophobicContact CB-CD2 4.22Å; A171-Y426 HydrophobicContact CB-CE2 3.75Å; A171-L433 HydrophobicContact CB-CD1 4.09Å; A171-L433 HydrophobicContact CB-CG 4.23Å; A171-L433 WeakPolarHBondContact O-CD1 3.46Å
172	L	94.9	Very high	93.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.6	-46.9	178.9	-174	64	0	0	0	111.8	F168 V169 A170 R174 R175 L176 F271 L410 L424 L433	F168-L172 HydrophobicContact CZ-CD2 4.4Å; F168-L172 PolarHBondContact O-N 2.98Å; V169-L172 WeakPolarHBondContact O-CB 3.1Å; V169-L172 PolarHBondContact O-N 3.19Å; V169-L172 VanDerWaalsContact O-N 3.16Å; A170-L172 VanDerWaalsContact C-N 3.34Å; L172-R174 PolarHBondContact O-N 2.88Å; L172-R175 PolarHBondContact O-N 3.13Å; L172-L176 HydrophobicContact CD1-CD1 3.79Å; L172-L176 HydrophobicContact CD1-CG 4.4Å; L172-L176 HydrophobicContact CG-CD1 3.97Å; L172-L176 WeakPolarHBondContact O-CG 3.39Å; L172-L176 PolarHBondContact O-N 2.88Å; L172-F271 HydrophobicContact CD2-CE1 3.81Å; L172-F271 HydrophobicContact CD2-CZ 3.86Å; L172-L410 HydrophobicContact CD1-CD2 4.24Å; L172-L424 HydrophobicContact CD1-CD1 4.21Å; L172-L433 HydrophobicContact CB-CD1 4.37Å; L172-L433 HydrophobicContact CD1-CD1 4.3Å
173	H	94.9	Very high	93.9	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-58.4	-46	174.9	-89.4	-113.9	0	0	0	112.2	V169 R175 L176 G177 W178 L211 Y243	V169-H173 WeakPolarHBondContact O-CB 3.49Å; V169-H173 PolarHBondContact O-CD2 2.8Å; V169-H173 VanDerWaalsContact O-CD2 3.26Å; V169-H173 PolarHBondContact O-N 3.07Å; H173-R175 VanDerWaalsContact C-N 3.29Å; H173-R175 PolarHBondContact O-N 2.81Å; H173-L176 PolarHBondContact O-N 2.88Å; H173-G177 PolarHBondContact O-N 2.86Å; H173-W178 HydrophobicContact CB-CB 4.35Å; H173-W178 WeakPolarHBondContact CB-O 3.41Å; H173-W178 WeakPolarHBondContact ND1-CB 3.48Å; H173-W178 PolarHBondContact ND1-O 3.12Å; H173-W178 PolarHBondContact O-N 2.91Å; H173-L211 HydrophobicContact CB-CD1 3.46Å; H173-L211 VanDerWaalsContact CB-CD1 3.46Å; H173-Y243 PolarHBondContact CD2-OH 2.79Å; H173-Y243 AromaticContact NE2-CE2 3.6Å; H173-Y243 AromaticContact NE2-CZ 3.75Å; H173-Y243 PolarHBondContact NE2-OH 2.97Å
174	R	93.4	Very high	94	Very high	138 Å²	138	33.9 Å²	33.9	52%	0.521	16%	0.156	S	C	.	.	H	α-helix	trans	-60.6	-37.8	175.9	-72.3	175.3	-167.5	147.6	3.7	112.6	A170 A171 L172 R210 L211	A170-R174 WeakPolarHBondContact O-CG 3.43Å; A170-R174 PolarHBondContact O-N 3.16Å; A170-R174 VanDerWaalsContact O-N 3.13Å; A171-R174 PolarHBondContact O-N 2.79Å; L172-R174 PolarHBondContact O-N 2.88Å; R174-R210 PolarHBondContact NH2-O 3.22Å; R174-L211 HydrophobicContact CG-CD2 3.87Å
175	R	92.5	Very high	94	Very high	118 Å²	118	33.3 Å²	33.3	45%	0.445	15%	0.153	S	C	.	.	H	α-helix	trans	-69.5	-34.7	177.9	179.5	175.3	179.3	148.1	0.4	112.6	A171 L172 H173 L424 L433	A171-R175 PolarHBondContact O-N 3.38Å; L172-R175 PolarHBondContact O-N 3.13Å; H173-R175 VanDerWaalsContact C-N 3.29Å; H173-R175 PolarHBondContact O-N 2.81Å; R175-L424 VanDerWaalsContact NH1-CD2 3.31Å; R175-L433 HydrophobicContact CB-CD1 4.05Å; R175-L433 PolarHBondContact NH1-O 2.79Å
176	L	92.7	Very high	93.9	Very high	30 Å²	30	34.2 Å²	34.2	16%	0.157	16%	0.156	C	C	.	.	H	α-helix	trans	-97.4	-5.8	-174.5	-62.7	175.6	0	0	0	113.7	L172 H173 W178 L441 W443 P448	L172-L176 HydrophobicContact CD1-CD1 3.79Å; L172-L176 HydrophobicContact CD1-CG 4.4Å; L172-L176 HydrophobicContact CG-CD1 3.97Å; L172-L176 WeakPolarHBondContact O-CG 3.39Å; L172-L176 PolarHBondContact O-N 2.88Å; H173-L176 PolarHBondContact O-N 2.88Å; L176-W178 HydrophobicContact CB-CD2 3.86Å; L176-W178 HydrophobicContact CB-CE3 4.01Å; L176-W178 HydrophobicContact CB-CG 4.43Å; L176-W178 HydrophobicContact CB-CH2 4.29Å; L176-W178 HydrophobicContact CB-CZ2 4.13Å; L176-W178 HydrophobicContact CB-CZ3 4.24Å; L176-W178 HydrophobicContact CD1-CE3 4.02Å; L176-W178 HydrophobicContact CD1-CH2 3.27Å; L176-W178 HydrophobicContact CD1-CZ2 3.82Å; L176-W178 HydrophobicContact CD1-CZ3 3.38Å; L176-W178 HydrophobicContact CG-CH2 4.38Å; L176-W178 HydrophobicContact CG-CZ3 4.42Å; L176-L441 HydrophobicContact CD2-CD2 4.45Å; L176-W443 HydrophobicContact CD1-CH2 4.4Å; L176-W443 HydrophobicContact CD1-CZ2 4.12Å; L176-W443 HydrophobicContact CD2-CZ2 4.1Å; L176-P448 HydrophobicContact CD2-CB 4.46Å; L176-P448 HydrophobicContact CD2-CG 4.35Å
177	G	93	Very high	93.7	Very high	45 Å²	45	34.7 Å²	34.7	46%	0.464	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	29	177.8	0	0	0	0	0	114	H173	H173-G177 PolarHBondContact O-N 2.86Å
178	W	95	Very high	93.2	Very high	5 Å²	5	38.9 Å²	38.9	2%	0.019	18%	0.176	C	C	.	.			trans	-97	103.4	179	-61.4	-33.8	0	0	0	111	H173 L176 V241 V269 F271 W443 P448 P449 D451	H173-W178 HydrophobicContact CB-CB 4.35Å; H173-W178 WeakPolarHBondContact CB-O 3.41Å; H173-W178 WeakPolarHBondContact ND1-CB 3.48Å; H173-W178 PolarHBondContact ND1-O 3.12Å; H173-W178 PolarHBondContact O-N 2.91Å; L176-W178 HydrophobicContact CB-CD2 3.86Å; L176-W178 HydrophobicContact CB-CE3 4.01Å; L176-W178 HydrophobicContact CB-CG 4.43Å; L176-W178 HydrophobicContact CB-CH2 4.29Å; L176-W178 HydrophobicContact CB-CZ2 4.13Å; L176-W178 HydrophobicContact CB-CZ3 4.24Å; L176-W178 HydrophobicContact CD1-CE3 4.02Å; L176-W178 HydrophobicContact CD1-CH2 3.27Å; L176-W178 HydrophobicContact CD1-CZ2 3.82Å; L176-W178 HydrophobicContact CD1-CZ3 3.38Å; L176-W178 HydrophobicContact CG-CH2 4.38Å; L176-W178 HydrophobicContact CG-CZ3 4.42Å; W178-V241 HydrophobicContact CD2-CG2 3.64Å; W178-V241 HydrophobicContact CE3-CG1 3.96Å; W178-V241 HydrophobicContact CE3-CG2 3.93Å; W178-V241 HydrophobicContact CG-CG2 4Å; W178-V241 HydrophobicContact CH2-CG1 4.4Å; W178-V241 HydrophobicContact CH2-CG2 4.32Å; W178-V241 HydrophobicContact CZ2-CG2 4.07Å; W178-V241 HydrophobicContact CZ3-CG1 3.89Å; W178-V241 HydrophobicContact CZ3-CG2 4.25Å; W178-V269 HydrophobicContact CH2-CG1 3.76Å; W178-V269 HydrophobicContact CZ2-CG1 3.92Å; W178-F271 AromaticContact CH2-CE2 3.75Å; W178-F271 HydrophobicContact CH2-CE2 3.75Å; W178-F271 AromaticContact CH2-CZ 3.81Å; W178-F271 HydrophobicContact CH2-CZ 3.81Å; W178-F271 AromaticContact CZ3-CE2 3.71Å; W178-F271 HydrophobicContact CZ3-CE2 3.71Å; W178-F271 AromaticContact CZ3-CZ 3.87Å; W178-F271 HydrophobicContact CZ3-CZ 3.87Å; W178-W443 AromaticContact CH2-CH2 3.99Å; W178-W443 HydrophobicContact CH2-CH2 3.99Å; W178-W443 HydrophobicContact CZ2-CH2 4.05Å; W178-P448 HydrophobicContact CZ2-CB 3.96Å; W178-P449 PolarHBondContact NE1-O 3.31Å; W178-D451 HydrophobicContact CB-CB 4.02Å; W178-D451 HydrophobicContact CG-CB 4.06Å
179	E	91.3	Very high	92.1	Very high	146 Å²	146	44.1 Å²	44.1	68%	0.682	20%	0.196	S	C	*	.			trans	-125.1	7.6	-165.2	-61	-175.4	167.4	0	0	114.3	I213 D451	E179-I213 VanDerWaalsContact O-CG2 3.29Å; E179-I213 WeakPolarHBondContact O-CG2 3.39Å; E179-D451 PolarHBondContact N-OD2 3.04Å
180	R	90.1	Very high	90.5	Very high	166 Å²	166	49.3 Å²	49.3	63%	0.626	23%	0.23	S	C	*	.	S	Bend	trans	-127.9	-49.9	-172.5	-53.5	-171	172.7	-170.4	-0.6	114.7	T214 D451 I452	R180-T214 PolarHBondContact O-N 3.19Å; R180-D451 VanDerWaalsContact CA-OD2 3.32Å; R180-D451 WeakPolarHBondContact CA-OD2 3.39Å; R180-D451 WeakPolarHBondContact CB-OD2 3.38Å; R180-D451 PolarHBondContact N-OD2 3.34Å; R180-I452 HydrophobicContact CB-CD1 3.49Å; R180-I452 VanDerWaalsContact CB-CD1 3.49Å; R180-I452 HydrophobicContact CB-CG1 3.77Å; R180-I452 HydrophobicContact CG-CD1 4.05Å; R180-I452 HydrophobicContact CG-CG1 4.39Å
181	Q	92.3	Very high	88.8	Confident	25 Å²	25	52.7 Å²	52.7	12%	0.117	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	143.1	-171.9	-166	160.8	-17.3	0	0	115.3	T214 K238 D451 I452 F457	Q181-T214 CarbonylContact C-O 3.58Å; Q181-T214 VanDerWaalsContact CA-O 3.27Å; Q181-T214 WeakPolarHBondContact CA-O 3.3Å; Q181-T214 HydrophobicContact CG-CG2 4.37Å; Q181-K238 PolarHBondContact NE2-O 2.84Å; Q181-D451 PolarHBondContact N-OD2 2.95Å; Q181-I452 HydrophobicContact CB-CG1 4.46Å; Q181-F457 HydrophobicContact CB-CE2 4.21Å; Q181-F457 VanDerWaalsContact CD-CE2 3.42Å; Q181-F457 HydrophobicContact CG-CE2 4.18Å; Q181-F457 HydrophobicContact CG-CZ 4.4Å
182	A	94.1	Very high	87.3	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	152.3	171	0	0	0	0	0	111.3	I213 T214 V215 D216 Y243	A182-I213 HydrophobicContact CB-CD1 4.21Å; A182-T214 PolarHBondContact N-O 2.84Å; A182-V215 WeakPolarHBondContact O-CA 3.26Å; A182-D216 PolarHBondContact O-N 2.97Å; A182-Y243 HydrophobicContact CB-CE2 4.35Å
183	L	95.1	Very high	85.7	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.9	175.7	176.6	64.4	0	0	0	110.2	L185 D216 L218 M235 K238 V241 I242 Y243	L183-L185 HydrophobicContact CD1-CD2 4.07Å; L183-L185 HydrophobicContact CD2-CD2 4.08Å; L183-L185 HydrophobicContact CG-CD2 3.9Å; L183-L185 HydrophobicContact CG-CG 4.36Å; L183-D216 CarbonylContact C-O 3.08Å; L183-D216 WeakPolarHBondContact CA-O 3.38Å; L183-D216 HydrophobicContact CD1-CB 3.71Å; L183-L218 HydrophobicContact CD1-CD1 4.15Å; L183-L218 HydrophobicContact CD1-CG 4.44Å; L183-M235 HydrophobicContact CD2-CB 4.45Å; L183-M235 HydrophobicContact CD2-CG 4.01Å; L183-K238 HydrophobicContact CD1-CB 4.15Å; L183-K238 HydrophobicContact CD2-CB 4.31Å; L183-V241 PolarHBondContact N-O 2.72Å; L183-I242 HydrophobicContact CB-CG1 4.27Å; L183-I242 HydrophobicContact CD2-CD1 4.5Å; L183-I242 HydrophobicContact CD2-CG1 4.29Å; L183-I242 HydrophobicContact CD2-CG2 4.44Å; L183-I242 CarbonylContact O-C 3.56Å; L183-I242 WeakPolarHBondContact O-CA 3.47Å; L183-Y243 PolarHBondContact O-N 3.34Å
184	M	95.6	Very high	84.7	Confident	1 Å²	1	59 Å²	59	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	122.2	-179.9	-60.3	176	-173	0	0	110.4	V200 L203 F204 V215 D216 H217 L218 Y243	M184-V200 HydrophobicContact CB-CG1 3.85Å; M184-V200 HydrophobicContact SD-CG1 4.18Å; M184-L203 HydrophobicContact CE-CD2 2.99Å; M184-L203 HydrophobicContact CE-CG 4.46Å; M184-L203 HydrophobicContact SD-CD2 3.49Å; M184-L203 WeakPolarHBondContact SD-CD2 3.07Å; M184-F204 HydrophobicContact SD-CB 4.18Å; M184-V215 HydrophobicContact CE-CB 4.3Å; M184-V215 HydrophobicContact CE-CG1 3.25Å; M184-V215 HydrophobicContact CE-CG2 4.06Å; M184-V215 HydrophobicContact CG-CG1 3.93Å; M184-V215 HydrophobicContact SD-CG1 3.39Å; M184-V215 WeakPolarHBondContact SD-CG1 3.46Å; M184-D216 PolarHBondContact N-O 2.88Å; M184-H217 HydrophobicContact CB-CB 4.25Å; M184-H217 CarbonylContact O-C 3.53Å; M184-H217 WeakPolarHBondContact O-CA 2.71Å; M184-L218 PolarHBondContact O-N 3.3Å; M184-Y243 CarbonylContact C-O 3.51Å; M184-Y243 WeakPolarHBondContact CA-O 3.17Å
185	L	94.4	Very high	84.3	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.5	179.4	-52.5	-177.6	0	0	0	108.3	L183 L218 F220 L231 M235 I242 Y243 I244 C245 L254	L183-L185 HydrophobicContact CD1-CD2 4.07Å; L183-L185 HydrophobicContact CD2-CD2 4.08Å; L183-L185 HydrophobicContact CG-CD2 3.9Å; L183-L185 HydrophobicContact CG-CG 4.36Å; L185-L218 WeakPolarHBondContact CA-O 3.41Å; L185-L218 HydrophobicContact CD2-CB 3.76Å; L185-L218 HydrophobicContact CD2-CD1 3.98Å; L185-L218 HydrophobicContact CD2-CG 4.32Å; L185-F220 HydrophobicContact CB-CE1 4.24Å; L185-L231 HydrophobicContact CD1-CD2 4.22Å; L185-L231 HydrophobicContact CD2-CD2 3.74Å; L185-M235 HydrophobicContact CD1-CE 3.27Å; L185-I242 HydrophobicContact CD1-CG2 3.85Å; L185-I242 HydrophobicContact CG-CG2 4.08Å; L185-Y243 PolarHBondContact N-O 3Å; L185-I244 HydrophobicContact CB-CG1 4.21Å; L185-I244 HydrophobicContact CB-CG2 4.3Å; L185-I244 HydrophobicContact CD1-CD1 4.07Å; L185-I244 HydrophobicContact CD1-CG1 4.13Å; L185-I244 HydrophobicContact CG-CG1 4.43Å; L185-I244 CarbonylContact O-C 3.48Å; L185-I244 VanDerWaalsContact O-CA 3.31Å; L185-I244 WeakPolarHBondContact O-CA 3.42Å; L185-C245 PolarHBondContact O-N 3.1Å; L185-L254 HydrophobicContact CD1-CD1 4.35Å
186	Y	93.7	Very high	84.2	Confident	20 Å²	20	50.3 Å²	50.3	8%	0.078	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	141.6	173.3	62.6	-86.3	0	0	0	112.3	F197 V200 L218 E219 F220 C245	Y186-F197 HydrophobicContact CD2-CB 4.4Å; Y186-F197 HydrophobicContact CE2-CB 4.26Å; Y186-F197 AromaticContact CE2-CD2 3.97Å; Y186-F197 HydrophobicContact CE2-CD2 3.97Å; Y186-V200 HydrophobicContact CD1-CB 3.99Å; Y186-V200 HydrophobicContact CD1-CG1 3.86Å; Y186-V200 HydrophobicContact CD1-CG2 4.11Å; Y186-V200 HydrophobicContact CE1-CG1 4.31Å; Y186-V200 HydrophobicContact CG-CB 4.41Å; Y186-V200 HydrophobicContact CG-CG2 4.28Å; Y186-L218 PolarHBondContact N-O 2.93Å; Y186-L218 VanDerWaalsContact N-O 3.09Å; Y186-E219 HydrophobicContact CD2-CB 4.22Å; Y186-E219 HydrophobicContact CE1-CB 4.31Å; Y186-E219 HydrophobicContact CE2-CB 3.61Å; Y186-E219 VanDerWaalsContact O-CA 3.32Å; Y186-E219 WeakPolarHBondContact O-CA 3.3Å; Y186-E219 PolarHBondContact OH-OE2 3.25Å; Y186-F220 VanDerWaalsContact O-CD1 3.25Å; Y186-F220 WeakPolarHBondContact O-CD1 3.49Å; Y186-F220 PolarHBondContact O-N 3.41Å; Y186-C245 CarbonylContact C-O 3.55Å; Y186-C245 WeakPolarHBondContact CA-O 3.32Å
187	A	89.9	Confident	84.2	Confident	10 Å²	10	52.4 Å²	52.4	8%	0.083	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	143	173.5	0	0	0	0	0	111.1	F220 E222 C245	A187-F220 CarbonylContact C-O 3.58Å; A187-F220 VanDerWaalsContact CA-O 3.24Å; A187-F220 WeakPolarHBondContact CA-O 3.34Å; A187-F220 HydrophobicContact CB-CE1 4.17Å; A187-F220 HydrophobicContact CB-CE2 4.12Å; A187-F220 HydrophobicContact CB-CZ 3.91Å; A187-E222 HydrophobicContact CB-CG 3.54Å; A187-E222 WeakPolarHBondContact CB-OE1 3.19Å; A187-C245 PolarHBondContact N-O 3.42Å
188	Y	82.6	Confident	84.1	Confident	96 Å²	96	51.2 Å²	51.2	38%	0.376	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	140.6	167.1	165.1	-100.6	0	0	0	110.2	P190 E194 F220	Y188-P190 HydrophobicContact CE1-CB 4.35Å; Y188-P190 HydrophobicContact CE1-CG 3.9Å; Y188-P190 WeakPolarHBondContact OH-CA 3.35Å; Y188-E194 HydrophobicContact CD2-CG 4.03Å; Y188-E194 HydrophobicContact CE2-CG 3.95Å; Y188-E194 WeakPolarHBondContact CE2-OE1 3.33Å; Y188-F220 PolarHBondContact N-O 2.74Å
189	R	72.8	Confident	84	Confident	111 Å²	111	51 Å²	51	42%	0.419	26%	0.256	S	S	.	.			trans	-124.3	128.9	169.8	-72.2	-171.5	-164.9	161.9	-2.7	109.8	G191 D192 E222	R189-G191 PolarHBondContact O-N 3.28Å; R189-D192 HydrophobicContact CB-CB 4.15Å; R189-D192 PolarHBondContact O-N 2.91Å; R189-E222 IonicContact CZ-OE2 2.76Å; R189-E222 IonicContact NE-OE2 3.59Å; R189-E222 PolarHBondContact NE-OE2 2.97Å; R189-E222 VanDerWaalsContact NE-OE2 3.11Å; R189-E222 IonicContact NH2-OE2 2.71Å; R189-E222 PolarHBondContact NH2-OE2 2.94Å
190	P	62.9	Low	84.1	Confident	108 Å²	108	44.3 Å²	44.3	70%	0.701	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	123.2	176.1	-19	29.3	0	0	0	112.1	Y188	Y188-P190 HydrophobicContact CE1-CB 4.35Å; Y188-P190 HydrophobicContact CE1-CG 3.9Å; Y188-P190 WeakPolarHBondContact OH-CA 3.35Å
191	G	57.6	Low	84.3	Confident	73 Å²	73	39.6 Å²	39.6	75%	0.753	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.8	-0.7	174	0	0	0	0	0	116	R189	R189-G191 PolarHBondContact O-N 3.28Å
192	D	64	Low	84.3	Confident	74 Å²	74	38.4 Å²	38.4	40%	0.396	21%	0.205	S	C	.	.	S	Bend	trans	-84.8	157.4	165.3	-152.8	-10.3	0	0	0	109.5	R189 E194	R189-D192 HydrophobicContact CB-CB 4.15Å; R189-D192 PolarHBondContact O-N 2.91Å; D192-E194 PolarHBondContact O-N 3.01Å
193	E	61.4	Low	84.3	Confident	17 Å²	17	38.4 Å²	38.4	8%	0.079	21%	0.205	C	C	.	.			trans	-59.4	126.9	163.6	-84.4	-177.9	-119.8	0	0	106.7	Y48 W50 C92 C118 H195	Y48-E193 WeakPolarHBondContact CD1-OE1 3.46Å; Y48-E193 WeakPolarHBondContact CE1-OE1 3.46Å; W50-E193 WeakPolarHBondContact CZ2-OE1 3.42Å; W50-E193 WeakPolarHBondContact CZ2-OE2 3.32Å; C92-E193 PolarHBondContact SG-OE1 3.32Å; C118-E193 WeakPolarHBondContact CA-OE2 3.12Å; C118-E193 WeakPolarHBondContact CB-OE1 3.21Å; C118-E193 WeakPolarHBondContact CB-OE2 3.34Å; C118-E193 PolarHBondContact SG-OE1 2.96Å; E193-H195 VanDerWaalsContact CB-CE1 3.43Å; E193-H195 WeakPolarHBondContact CB-CE1 3.4Å; E193-H195 WeakPolarHBondContact CB-NE2 3.41Å; E193-H195 PolarHBondContact O-CD2 3.4Å; E193-H195 PolarHBondContact O-N 3.45Å; E193-H195 IonicContact OE2-CE1 3.79Å; E193-H195 PolarHBondContact OE2-CE1 2.89Å; E193-H195 IonicContact OE2-ND1 2.87Å
194	E	75.3	Confident	84.3	Confident	57 Å²	57	40.2 Å²	40.2	27%	0.266	21%	0.213	S	C	.	.			trans	-69.8	56.1	-178.2	-55.8	172.7	148.1	0	0	110.9	Y120 Y188 D192 C196 F197 F198	Y120-E194 PolarHBondContact OH-OE2 3.48Å; Y188-E194 HydrophobicContact CD2-CG 4.03Å; Y188-E194 HydrophobicContact CE2-CG 3.95Å; Y188-E194 WeakPolarHBondContact CE2-OE1 3.33Å; D192-E194 PolarHBondContact O-N 3.01Å; E194-C196 VanDerWaalsContact C-N 3.29Å; E194-C196 PolarHBondContact O-N 3.29Å; E194-F197 HydrophobicContact CB-CB 3.8Å; E194-F197 WeakPolarHBondContact O-CB 3.39Å; E194-F197 PolarHBondContact O-N 3.08Å; E194-F198 HydrophobicContact CB-CE2 4.4Å; E194-F198 VanDerWaalsContact O-CD2 3.29Å; E194-F198 WeakPolarHBondContact O-CD2 3.26Å; E194-F198 PolarHBondContact O-N 2.86Å; E194-F198 VanDerWaalsContact O-N 3.09Å
195	H	83.1	Confident	84.1	Confident	51 Å²	51	42.9 Å²	42.9	24%	0.236	23%	0.226	C	C	.	.	H	α-helix	trans	-56.8	-44.1	-173.2	-71.5	-56.2	0	0	0	110.9	W50 E193 F197 L199	W50-H195 AromaticContact CH2-CE1 3.7Å; E193-H195 VanDerWaalsContact CB-CE1 3.43Å; E193-H195 WeakPolarHBondContact CB-CE1 3.4Å; E193-H195 WeakPolarHBondContact CB-NE2 3.41Å; E193-H195 PolarHBondContact O-CD2 3.4Å; E193-H195 PolarHBondContact O-N 3.45Å; E193-H195 IonicContact OE2-CE1 3.79Å; E193-H195 PolarHBondContact OE2-CE1 2.89Å; E193-H195 IonicContact OE2-ND1 2.87Å; H195-F197 VanDerWaalsContact C-N 3.35Å; H195-L199 WeakPolarHBondContact O-CB 3.44Å; H195-L199 PolarHBondContact O-N 2.86Å
196	C	90.9	Very high	84	Confident	22 Å²	22	46 Å²	46	15%	0.149	24%	0.237	C	C	.	.	H	α-helix	trans	-69.1	-32	178.4	-80.7	0	0	0	0	113.2	E194 V200 C245	E194-C196 VanDerWaalsContact C-N 3.29Å; E194-C196 PolarHBondContact O-N 3.29Å; C196-V200 WeakPolarHBondContact O-CB 3.45Å; C196-V200 WeakPolarHBondContact O-CG2 3.36Å; C196-V200 PolarHBondContact O-N 2.76Å; C196-C245 WeakPolarHBondContact CA-SG 3.35Å; C196-C245 HydrophobicContact CB-CB 3.62Å; C196-C245 WeakPolarHBondContact CB-SG 3.48Å; C196-C245 WeakPolarHBondContact SG-CB 3.45Å; C196-C245 PolarHBondContact SG-O 3.37Å; C196-C245 VanDerWaalsContact SG-O 3.41Å; C196-C245 CovalentContact SG-SG 2.05Å; C196-C245 PolarHBondContact SG-SG 2.95Å
197	F	92.1	Very high	84	Confident	74 Å²	74	45 Å²	45	33%	0.325	23%	0.234	S	C	.	.	H	α-helix	trans	-63.2	-55.5	173.5	170.5	-97.7	0	0	0	110.5	Y186 E194 H195 L199 V200 E201	Y186-F197 HydrophobicContact CD2-CB 4.4Å; Y186-F197 HydrophobicContact CE2-CB 4.26Å; Y186-F197 AromaticContact CE2-CD2 3.97Å; Y186-F197 HydrophobicContact CE2-CD2 3.97Å; E194-F197 HydrophobicContact CB-CB 3.8Å; E194-F197 WeakPolarHBondContact O-CB 3.39Å; E194-F197 PolarHBondContact O-N 3.08Å; H195-F197 VanDerWaalsContact C-N 3.35Å; F197-L199 PolarHBondContact O-N 3.22Å; F197-V200 PolarHBondContact O-N 3.2Å; F197-E201 WeakPolarHBondContact O-CB 3.28Å; F197-E201 PolarHBondContact O-N 2.87Å
198	F	92.5	Very high	84	Confident	19 Å²	19	49.5 Å²	49.5	8%	0.083	25%	0.249	C	C	.	.	H	α-helix	trans	-63.6	-31.9	-179.3	-69.8	-61.1	0	0	0	113	V119 Y120 A143 Y162 E194 G202	V119-F198 HydrophobicContact CB-CD2 4.24Å; V119-F198 HydrophobicContact CB-CE2 3.97Å; V119-F198 HydrophobicContact CB-CZ 4.3Å; V119-F198 HydrophobicContact CG1-CD1 4.26Å; V119-F198 HydrophobicContact CG1-CD2 4.16Å; V119-F198 HydrophobicContact CG1-CE1 3.82Å; V119-F198 HydrophobicContact CG1-CE2 3.71Å; V119-F198 HydrophobicContact CG1-CG 4.42Å; V119-F198 HydrophobicContact CG1-CZ 3.53Å; V119-F198 HydrophobicContact CG2-CD2 4.08Å; V119-F198 HydrophobicContact CG2-CE2 4.33Å; V119-F198 HydrophobicContact CG2-CG 4.42Å; Y120-F198 HydrophobicContact CE1-CZ 4.11Å; Y120-F198 AromaticContact CE2-CE2 3.85Å; Y120-F198 HydrophobicContact CE2-CE2 3.85Å; Y120-F198 HydrophobicContact CE2-CZ 4.08Å; Y120-F198 AromaticContact CZ-CE2 3.94Å; Y120-F198 AromaticContact CZ-CZ 3.69Å; A143-F198 HydrophobicContact CB-CB 4.33Å; A143-F198 HydrophobicContact CB-CD1 3.75Å; A143-F198 HydrophobicContact CB-CE1 4.31Å; A143-F198 HydrophobicContact CB-CG 4.1Å; Y162-F198 HydrophobicContact CD2-CB 3.73Å; Y162-F198 VanDerWaalsContact CD2-O 3.28Å; Y162-F198 WeakPolarHBondContact CD2-O 3.43Å; Y162-F198 HydrophobicContact CE2-CB 3.57Å; E194-F198 HydrophobicContact CB-CE2 4.4Å; E194-F198 VanDerWaalsContact O-CD2 3.29Å; E194-F198 WeakPolarHBondContact O-CD2 3.26Å; E194-F198 PolarHBondContact O-N 2.86Å; E194-F198 VanDerWaalsContact O-N 3.09Å; F198-G202 PolarHBondContact O-N 3.08Å
199	L	92.4	Very high	84.4	Confident	2 Å²	2	50 Å²	50	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-66.7	-47.4	175.9	-173	155.6	0	0	0	111.1	Y162 L165 H195 F197 L203 C245 L273 I275	Y162-L199 HydrophobicContact CD1-CB 4.08Å; Y162-L199 HydrophobicContact CD1-CD1 4.27Å; Y162-L199 HydrophobicContact CD1-CG 4.03Å; Y162-L199 HydrophobicContact CD2-CB 4.25Å; Y162-L199 HydrophobicContact CE1-CB 4.08Å; Y162-L199 HydrophobicContact CE1-CD1 4Å; Y162-L199 HydrophobicContact CE1-CG 4.17Å; Y162-L199 HydrophobicContact CE2-CB 4.21Å; Y162-L199 HydrophobicContact CG-CB 4.18Å; Y162-L199 HydrophobicContact CG-CG 4.48Å; L165-L199 HydrophobicContact CD2-CD1 4.3Å; L165-L199 HydrophobicContact CD2-CD2 3.45Å; L165-L199 VanDerWaalsContact CD2-CD2 3.45Å; L165-L199 HydrophobicContact CD2-CG 3.75Å; H195-L199 WeakPolarHBondContact O-CB 3.44Å; H195-L199 PolarHBondContact O-N 2.86Å; F197-L199 PolarHBondContact O-N 3.22Å; L199-L203 WeakPolarHBondContact O-CB 3.15Å; L199-L203 PolarHBondContact O-N 3.22Å; L199-L203 VanDerWaalsContact O-N 3.08Å; L199-C245 HydrophobicContact CD2-CB 4.47Å; L199-L273 HydrophobicContact CD2-CB 3.93Å; L199-L273 HydrophobicContact CD2-CD1 3.41Å; L199-L273 VanDerWaalsContact CD2-CD1 3.41Å; L199-L273 HydrophobicContact CD2-CG 4.21Å; L199-I275 HydrophobicContact CD1-CB 4.46Å; L199-I275 HydrophobicContact CD1-CD1 3.79Å; L199-I275 HydrophobicContact CD1-CG1 3.94Å; L199-I275 HydrophobicContact CD1-CG2 3.7Å
200	V	94.2	Very high	85.3	Confident	4 Å²	4	49 Å²	49	2%	0.024	25%	0.254	C	S	.	.	H	α-helix	trans	-69	-36.2	176.2	171.1	0	0	0	0	111.7	M184 Y186 C196 F197 L203 F204 C245 L273	M184-V200 HydrophobicContact CB-CG1 3.85Å; M184-V200 HydrophobicContact SD-CG1 4.18Å; Y186-V200 HydrophobicContact CD1-CB 3.99Å; Y186-V200 HydrophobicContact CD1-CG1 3.86Å; Y186-V200 HydrophobicContact CD1-CG2 4.11Å; Y186-V200 HydrophobicContact CE1-CG1 4.31Å; Y186-V200 HydrophobicContact CG-CB 4.41Å; Y186-V200 HydrophobicContact CG-CG2 4.28Å; C196-V200 WeakPolarHBondContact O-CB 3.45Å; C196-V200 WeakPolarHBondContact O-CG2 3.36Å; C196-V200 PolarHBondContact O-N 2.76Å; F197-V200 PolarHBondContact O-N 3.2Å; V200-L203 PolarHBondContact O-N 3.33Å; V200-F204 WeakPolarHBondContact O-CB 3.25Å; V200-F204 PolarHBondContact O-N 3.5Å; V200-C245 HydrophobicContact CG2-CB 4.34Å; V200-L273 HydrophobicContact CG2-CD1 4.47Å
201	E	93.9	Very high	86.6	Confident	68 Å²	68	45.7 Å²	45.7	32%	0.318	23%	0.23	S	C	.	.	H	α-helix	trans	-57.8	-51.5	173.9	-178	-165.8	-140.6	0	0	111.3	F197 L203 F204 M205	F197-E201 WeakPolarHBondContact O-CB 3.28Å; F197-E201 PolarHBondContact O-N 2.87Å; E201-L203 VanDerWaalsContact C-N 3.31Å; E201-L203 PolarHBondContact O-N 3.44Å; E201-F204 PolarHBondContact O-N 2.98Å; E201-M205 WeakPolarHBondContact O-CG 3.47Å; E201-M205 PolarHBondContact O-N 2.85Å
202	G	91.8	Very high	88.2	Confident	0 Å²	0	49 Å²	49	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.1	-39.1	179.1	0	0	0	0	0	112.6	F198 R206	F198-G202 PolarHBondContact O-N 3.08Å; G202-R206 VanDerWaalsContact O-CB 3.26Å; G202-R206 WeakPolarHBondContact O-CB 3.47Å; G202-R206 PolarHBondContact O-N 2.9Å
203	L	93.9	Very high	89.4	Confident	0 Å²	0	46 Å²	46	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-68.4	-50	176.9	-165.3	166.2	0	0	0	110.9	L165 V169 M184 L199 V200 E201 M205 R206 V207 L273	L165-L203 HydrophobicContact CD2-CD1 3.78Å; L165-L203 HydrophobicContact CG-CD1 3.94Å; L165-L203 HydrophobicContact CG-CG 4.4Å; V169-L203 HydrophobicContact CG1-CD2 4.42Å; V169-L203 HydrophobicContact CG2-CD1 3.98Å; V169-L203 HydrophobicContact CG2-CD2 4.46Å; V169-L203 HydrophobicContact CG2-CG 4.17Å; M184-L203 HydrophobicContact CE-CD2 2.99Å; M184-L203 HydrophobicContact CE-CG 4.46Å; M184-L203 HydrophobicContact SD-CD2 3.49Å; M184-L203 WeakPolarHBondContact SD-CD2 3.07Å; L199-L203 WeakPolarHBondContact O-CB 3.15Å; L199-L203 PolarHBondContact O-N 3.22Å; L199-L203 VanDerWaalsContact O-N 3.08Å; V200-L203 PolarHBondContact O-N 3.33Å; E201-L203 VanDerWaalsContact C-N 3.31Å; E201-L203 PolarHBondContact O-N 3.44Å; L203-M205 PolarHBondContact O-N 3.31Å; L203-R206 PolarHBondContact O-N 3.29Å; L203-V207 HydrophobicContact CD2-CG2 3.77Å; L203-V207 HydrophobicContact CG-CG2 4.41Å; L203-V207 VanDerWaalsContact O-CB 3.28Å; L203-V207 WeakPolarHBondContact O-CB 3.35Å; L203-V207 VanDerWaalsContact O-CG2 3.25Å; L203-V207 WeakPolarHBondContact O-CG2 3.33Å; L203-V207 PolarHBondContact O-N 2.96Å; L203-L273 HydrophobicContact CD1-CD1 3.71Å; L203-L273 HydrophobicContact CD1-CD2 4.16Å
204	F	94.3	Very high	90.8	Very high	38 Å²	38	49 Å²	49	17%	0.167	23%	0.234	C	C	.	.	H	α-helix	trans	-54.2	-54.8	-179.8	172.6	-93.6	0	0	0	111.6	M184 V200 E201 R206 R208 V215 H217	M184-F204 HydrophobicContact SD-CB 4.18Å; V200-F204 WeakPolarHBondContact O-CB 3.25Å; V200-F204 PolarHBondContact O-N 3.5Å; E201-F204 PolarHBondContact O-N 2.98Å; F204-R206 PolarHBondContact O-N 3.08Å; F204-R208 WeakPolarHBondContact O-CB 3.45Å; F204-R208 PolarHBondContact O-N 3.3Å; F204-V215 HydrophobicContact CD2-CB 3.8Å; F204-V215 HydrophobicContact CD2-CG1 3.46Å; F204-V215 VanDerWaalsContact CD2-CG1 3.46Å; F204-V215 HydrophobicContact CE2-CB 3.82Å; F204-V215 HydrophobicContact CE2-CG1 3.92Å; F204-V215 WeakPolarHBondContact CE2-O 3.49Å; F204-H217 AromaticContact CE2-ND1 3.78Å
205	M	92.9	Very high	91.6	Very high	56 Å²	56	47.2 Å²	47.2	28%	0.276	23%	0.227	S	C	.	.	H	α-helix	trans	-62.6	-46.6	-176.8	-71.9	-63	-68.6	0	0	110.9	L144 E201 L203 R208 D209	L144-M205 HydrophobicContact CD2-CB 3.61Å; L144-M205 HydrophobicContact CD2-CG 3.5Å; L144-M205 VanDerWaalsContact CD2-CG 3.5Å; E201-M205 WeakPolarHBondContact O-CG 3.47Å; E201-M205 PolarHBondContact O-N 2.85Å; L203-M205 PolarHBondContact O-N 3.31Å; M205-R208 PolarHBondContact O-N 3.42Å; M205-D209 WeakPolarHBondContact O-CB 3.27Å; M205-D209 PolarHBondContact O-N 3.43Å
206	R	91.8	Very high	92	Very high	65 Å²	65	46.6 Å²	46.6	25%	0.245	23%	0.226	C	C	.	.	H	α-helix	trans	-71.4	-38.3	-175.3	-169.8	65	160.6	158.1	-6.3	113.2	A163 D167 G202 L203 F204 D209 R210	A163-R206 WeakPolarHBondContact O-CG 3.37Å; D167-R206 VanDerWaalsContact CG-NE 3.26Å; D167-R206 IonicContact OD1-CZ 3.82Å; D167-R206 VanDerWaalsContact OD1-CZ 3.24Å; D167-R206 IonicContact OD1-NE 2.74Å; D167-R206 PolarHBondContact OD1-NE 2.93Å; D167-R206 IonicContact OD1-NH2 3.89Å; D167-R206 PolarHBondContact OD1-NH2 2.92Å; D167-R206 VanDerWaalsContact OD1-NH2 3.09Å; D167-R206 IonicContact OD2-CZ 3.45Å; D167-R206 IonicContact OD2-NE 3.22Å; D167-R206 PolarHBondContact OD2-NE 3.1Å; D167-R206 IonicContact OD2-NH2 2.63Å; D167-R206 PolarHBondContact OD2-NH2 3.06Å; G202-R206 VanDerWaalsContact O-CB 3.26Å; G202-R206 WeakPolarHBondContact O-CB 3.47Å; G202-R206 PolarHBondContact O-N 2.9Å; L203-R206 PolarHBondContact O-N 3.29Å; F204-R206 PolarHBondContact O-N 3.08Å; R206-D209 PolarHBondContact O-N 3.2Å; R206-R210 HydrophobicContact CG-CG 4.36Å; R206-R210 VanDerWaalsContact O-CB 3.31Å; R206-R210 WeakPolarHBondContact O-CB 3.45Å; R206-R210 WeakPolarHBondContact O-CG 3.34Å; R206-R210 PolarHBondContact O-N 3.32Å
207	V	92.9	Very high	92	Very high	1 Å²	1	50 Å²	50	1%	0.006	24%	0.239	C	C	.	.	H	α-helix	trans	-64.9	-43.9	175.7	166.4	0	0	0	0	110.4	V169 L203 D209 R210 L211 I213 V215	V169-V207 HydrophobicContact CB-CG2 3.92Å; V169-V207 HydrophobicContact CG1-CG2 3.64Å; L203-V207 HydrophobicContact CD2-CG2 3.77Å; L203-V207 HydrophobicContact CG-CG2 4.41Å; L203-V207 VanDerWaalsContact O-CB 3.28Å; L203-V207 WeakPolarHBondContact O-CB 3.35Å; L203-V207 VanDerWaalsContact O-CG2 3.25Å; L203-V207 WeakPolarHBondContact O-CG2 3.33Å; L203-V207 PolarHBondContact O-N 2.96Å; V207-D209 PolarHBondContact O-N 2.96Å; V207-R210 PolarHBondContact O-N 2.87Å; V207-L211 HydrophobicContact CG1-CD1 4.28Å; V207-L211 WeakPolarHBondContact O-CB 3.34Å; V207-L211 PolarHBondContact O-N 2.74Å; V207-I213 HydrophobicContact CG1-CD1 3.65Å; V207-I213 HydrophobicContact CG1-CG1 3.85Å; V207-V215 HydrophobicContact CG1-CG2 4.05Å
208	R	91.3	Very high	91.9	Very high	104 Å²	104	48.2 Å²	48.2	39%	0.392	23%	0.232	S	C	.	.	H	α-helix	trans	-60.5	-45.6	176.3	-167.6	-179.6	69.5	-179.8	-0.4	111.5	F204 M205 R210 N212	F204-R208 WeakPolarHBondContact O-CB 3.45Å; F204-R208 PolarHBondContact O-N 3.3Å; M205-R208 PolarHBondContact O-N 3.42Å; R208-R210 VanDerWaalsContact C-N 3.32Å; R208-R210 PolarHBondContact O-N 2.98Å; R208-N212 VanDerWaalsContact O-CA 3.28Å; R208-N212 WeakPolarHBondContact O-CA 3.33Å; R208-N212 PolarHBondContact O-N 2.82Å
209	D	90.6	Very high	91.9	Very high	106 Å²	106	52.5 Å²	52.5	57%	0.567	25%	0.253	S	S	*	.	H	α-helix	trans	-66.5	-32	-179.9	-67.1	-11.1	0	0	0	113.2	M205 R206 V207	M205-D209 WeakPolarHBondContact O-CB 3.27Å; M205-D209 PolarHBondContact O-N 3.43Å; R206-D209 PolarHBondContact O-N 3.2Å; V207-D209 PolarHBondContact O-N 2.96Å
210	R	91.3	Very high	91.8	Very high	91 Å²	91	52.7 Å²	52.7	34%	0.343	25%	0.254	S	S	.	.	H	α-helix	trans	-93.6	-29.3	-174.3	-70.4	-66.3	-151.3	173	5.4	114.9	D167 A170 R174 R206 V207 R208	D167-R210 IonicContact OD1-CZ 3.92Å; D167-R210 IonicContact OD1-NE 3.85Å; D167-R210 PolarHBondContact OD1-NE 2.9Å; D167-R210 IonicContact OD1-NH2 3.84Å; D167-R210 PolarHBondContact OD1-NH2 3.34Å; D167-R210 VanDerWaalsContact OD1-NH2 3.15Å; A170-R210 HydrophobicContact CB-CB 3.94Å; A170-R210 HydrophobicContact CB-CG 4.48Å; R174-R210 PolarHBondContact NH2-O 3.22Å; R206-R210 HydrophobicContact CG-CG 4.36Å; R206-R210 VanDerWaalsContact O-CB 3.31Å; R206-R210 WeakPolarHBondContact O-CB 3.45Å; R206-R210 WeakPolarHBondContact O-CG 3.34Å; R206-R210 PolarHBondContact O-N 3.32Å; V207-R210 PolarHBondContact O-N 2.87Å; R208-R210 VanDerWaalsContact C-N 3.32Å; R208-R210 PolarHBondContact O-N 2.98Å
211	L	89.8	Confident	91.5	Very high	37 Å²	37	54 Å²	54	19%	0.194	27%	0.265	C	S	.	.	H	α-helix	trans	-121.4	-17.5	-173.7	-59.6	-178	0	0	0	113.8	A170 H173 R174 V207 I213	A170-L211 HydrophobicContact CB-CD1 4.17Å; A170-L211 HydrophobicContact CB-CD2 4.21Å; A170-L211 HydrophobicContact CB-CG 3.99Å; H173-L211 HydrophobicContact CB-CD1 3.46Å; H173-L211 VanDerWaalsContact CB-CD1 3.46Å; R174-L211 HydrophobicContact CG-CD2 3.87Å; V207-L211 HydrophobicContact CG1-CD1 4.28Å; V207-L211 WeakPolarHBondContact O-CB 3.34Å; V207-L211 PolarHBondContact O-N 2.74Å; L211-I213 HydrophobicContact CB-CG1 4.39Å; L211-I213 HydrophobicContact CB-CG2 3.83Å; L211-I213 HydrophobicContact CD1-CD1 4.29Å; L211-I213 PolarHBondContact O-N 2.81Å
212	N	91.1	Very high	91.1	Very high	144 Å²	144	52 Å²	52	77%	0.77	26%	0.255	S	S	*	.			trans	52.9	37.9	-177.2	-163.6	42.5	0	0	0	113.8	R208	R208-N212 VanDerWaalsContact O-CA 3.28Å; R208-N212 WeakPolarHBondContact O-CA 3.33Å; R208-N212 PolarHBondContact O-N 2.82Å
213	I	90.1	Very high	90.7	Very high	9 Å²	9	59.3 Å²	59.3	5%	0.046	30%	0.295	C	S	.	.			trans	-91.7	157.6	176.5	65.8	175.3	0	0	0	111.3	E179 A182 V207 L211 V215	E179-I213 VanDerWaalsContact O-CG2 3.29Å; E179-I213 WeakPolarHBondContact O-CG2 3.39Å; A182-I213 HydrophobicContact CB-CD1 4.21Å; V207-I213 HydrophobicContact CG1-CD1 3.65Å; V207-I213 HydrophobicContact CG1-CG1 3.85Å; L211-I213 HydrophobicContact CB-CG1 4.39Å; L211-I213 HydrophobicContact CB-CG2 3.83Å; L211-I213 HydrophobicContact CD1-CD1 4.29Å; L211-I213 PolarHBondContact O-N 2.81Å; I213-V215 HydrophobicContact CD1-CG2 4.29Å; I213-V215 HydrophobicContact CG1-CG2 3.85Å; I213-V215 PolarHBondContact O-N 3.32Å
214	T	90.9	Very high	90.2	Very high	82 Å²	82	62.1 Å²	62.1	50%	0.503	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	121.2	170.5	-59.9	0	0	0	0	109	R180 Q181 A182	R180-T214 PolarHBondContact O-N 3.19Å; Q181-T214 CarbonylContact C-O 3.58Å; Q181-T214 VanDerWaalsContact CA-O 3.27Å; Q181-T214 WeakPolarHBondContact CA-O 3.3Å; Q181-T214 HydrophobicContact CG-CG2 4.37Å; A182-T214 PolarHBondContact N-O 2.84Å
215	V	91.7	Very high	89.7	Confident	18 Å²	18	66.3 Å²	66.3	11%	0.109	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	113.2	175.3	-178.8	0	0	0	0	108.9	A182 M184 F204 V207 I213	A182-V215 WeakPolarHBondContact O-CA 3.26Å; M184-V215 HydrophobicContact CE-CB 4.3Å; M184-V215 HydrophobicContact CE-CG1 3.25Å; M184-V215 HydrophobicContact CE-CG2 4.06Å; M184-V215 HydrophobicContact CG-CG1 3.93Å; M184-V215 HydrophobicContact SD-CG1 3.39Å; M184-V215 WeakPolarHBondContact SD-CG1 3.46Å; F204-V215 HydrophobicContact CD2-CB 3.8Å; F204-V215 HydrophobicContact CD2-CG1 3.46Å; F204-V215 VanDerWaalsContact CD2-CG1 3.46Å; F204-V215 HydrophobicContact CE2-CB 3.82Å; F204-V215 HydrophobicContact CE2-CG1 3.92Å; F204-V215 WeakPolarHBondContact CE2-O 3.49Å; V207-V215 HydrophobicContact CG1-CG2 4.05Å; I213-V215 HydrophobicContact CD1-CG2 4.29Å; I213-V215 HydrophobicContact CG1-CG2 3.85Å; I213-V215 PolarHBondContact O-N 3.32Å
216	D	90.8	Very high	89.4	Confident	39 Å²	39	67 Å²	67	21%	0.209	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	146.1	168.1	-87.3	-68.9	0	0	0	109.7	A182 L183 M184 K238	A182-D216 PolarHBondContact O-N 2.97Å; L183-D216 CarbonylContact C-O 3.08Å; L183-D216 WeakPolarHBondContact CA-O 3.38Å; L183-D216 HydrophobicContact CD1-CB 3.71Å; M184-D216 PolarHBondContact N-O 2.88Å; D216-K238 HydrophobicContact CB-CB 4.48Å; D216-K238 HydrophobicContact CB-CD 4.04Å; D216-K238 IonicContact OD1-NZ 3.21Å; D216-K238 PolarHBondContact OD1-NZ 2.98Å
217	H	91.2	Very high	89.2	Confident	93 Å²	93	65.8 Å²	65.8	43%	0.431	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	148	173	58	-84.7	0	0	0	111.7	M184 F204	M184-H217 HydrophobicContact CB-CB 4.25Å; M184-H217 CarbonylContact O-C 3.53Å; M184-H217 WeakPolarHBondContact O-CA 2.71Å; F204-H217 AromaticContact CE2-ND1 3.78Å
218	L	90.9	Very high	88.9	Confident	36 Å²	36	66.5 Å²	66.5	19%	0.188	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	135.4	177.8	-63.5	165.5	0	0	0	110.3	L183 M184 L185 Y186 L231 T234	L183-L218 HydrophobicContact CD1-CD1 4.15Å; L183-L218 HydrophobicContact CD1-CG 4.44Å; M184-L218 PolarHBondContact O-N 3.3Å; L185-L218 WeakPolarHBondContact CA-O 3.41Å; L185-L218 HydrophobicContact CD2-CB 3.76Å; L185-L218 HydrophobicContact CD2-CD1 3.98Å; L185-L218 HydrophobicContact CD2-CG 4.32Å; Y186-L218 PolarHBondContact N-O 2.93Å; Y186-L218 VanDerWaalsContact N-O 3.09Å; L218-L231 HydrophobicContact CB-CD2 4.16Å; L218-L231 HydrophobicContact CD1-CD2 4.16Å; L218-T234 HydrophobicContact CD1-CG2 3.51Å
219	E	91.4	Very high	88.7	Confident	110 Å²	110	64.6 Å²	64.6	51%	0.514	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	151.7	170.9	66.1	-174.9	-168	0	0	112.2	Y186 R230	Y186-E219 HydrophobicContact CD2-CB 4.22Å; Y186-E219 HydrophobicContact CE1-CB 4.31Å; Y186-E219 HydrophobicContact CE2-CB 3.61Å; Y186-E219 VanDerWaalsContact O-CA 3.32Å; Y186-E219 WeakPolarHBondContact O-CA 3.3Å; Y186-E219 PolarHBondContact OH-OE2 3.25Å; E219-R230 PolarHBondContact O-NH2 3.33Å
220	F	90.6	Very high	88.6	Confident	5 Å²	5	64.7 Å²	64.7	2%	0.022	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	156.8	171.7	69.8	-79.2	0	0	0	112	L185 Y186 A187 Y188 H227 Y228 L231	L185-F220 HydrophobicContact CB-CE1 4.24Å; Y186-F220 VanDerWaalsContact O-CD1 3.25Å; Y186-F220 WeakPolarHBondContact O-CD1 3.49Å; Y186-F220 PolarHBondContact O-N 3.41Å; A187-F220 CarbonylContact C-O 3.58Å; A187-F220 VanDerWaalsContact CA-O 3.24Å; A187-F220 WeakPolarHBondContact CA-O 3.34Å; A187-F220 HydrophobicContact CB-CE1 4.17Å; A187-F220 HydrophobicContact CB-CE2 4.12Å; A187-F220 HydrophobicContact CB-CZ 3.91Å; Y188-F220 PolarHBondContact N-O 2.74Å; F220-H227 HydrophobicContact CB-CB 3.91Å; F220-Y228 HydrophobicContact CE2-CE1 4.24Å; F220-L231 HydrophobicContact CB-CD1 3.94Å; F220-L231 HydrophobicContact CB-CG 4.45Å; F220-L231 HydrophobicContact CD1-CD1 3.75Å; F220-L231 HydrophobicContact CD2-CD1 4.09Å; F220-L231 HydrophobicContact CE1-CD1 4.21Å; F220-L231 HydrophobicContact CG-CD1 3.68Å
221	A	88.3	Confident	88.6	Confident	32 Å²	32	60.4 Å²	60.4	26%	0.264	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	132.6	171	0	0	0	0	0	108.7	D223 D224 H227	A221-D223 PolarHBondContact O-N 3.35Å; A221-D224 HydrophobicContact CB-CB 4.18Å; A221-D224 PolarHBondContact O-N 3.08Å; A221-H227 PolarHBondContact N-ND1 3.36Å; A221-H227 VanDerWaalsContact N-ND1 3.14Å
222	E	85.7	Confident	88.5	Confident	25 Å²	25	60.3 Å²	60.3	12%	0.117	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-30.2	-175.7	-58.8	-165.8	160.7	0	0	112.7	A187 R189 Y228 S247 A250	A187-E222 HydrophobicContact CB-CG 3.54Å; A187-E222 WeakPolarHBondContact CB-OE1 3.19Å; R189-E222 IonicContact CZ-OE2 2.76Å; R189-E222 IonicContact NE-OE2 3.59Å; R189-E222 PolarHBondContact NE-OE2 2.97Å; R189-E222 VanDerWaalsContact NE-OE2 3.11Å; R189-E222 IonicContact NH2-OE2 2.71Å; R189-E222 PolarHBondContact NH2-OE2 2.94Å; E222-Y228 VanDerWaalsContact O-CE2 3.29Å; E222-Y228 WeakPolarHBondContact O-CE2 3.36Å; E222-Y228 PolarHBondContact O-OH 3.35Å; E222-S247 VanDerWaalsContact CD-OG 3.24Å; E222-S247 WeakPolarHBondContact OE1-CB 3.47Å; E222-S247 PolarHBondContact OE1-N 2.84Å; E222-S247 PolarHBondContact OE1-OG 2.76Å; E222-S247 WeakPolarHBondContact OE2-CB 3.43Å; E222-S247 PolarHBondContact OE2-OG 2.95Å; E222-A250 HydrophobicContact CB-CB 4.36Å; E222-A250 HydrophobicContact CG-CB 4.06Å
223	D	82.5	Confident	88.3	Confident	155 Å²	155	62.2 Å²	62.2	83%	0.829	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-4.8	-174.9	-58.1	-41.7	0	0	0	113.9	A221	A221-D223 PolarHBondContact O-N 3.35Å
224	D	84.6	Confident	88.2	Confident	59 Å²	59	63 Å²	63	32%	0.316	32%	0.321	S	S	.	.			trans	-108.3	106.1	-174.9	-171.8	-11.7	0	0	0	112.6	A221 S226 H227 Y228	A221-D224 HydrophobicContact CB-CB 4.18Å; A221-D224 PolarHBondContact O-N 3.08Å; D224-S226 PolarHBondContact O-N 3.47Å; D224-S226 VanDerWaalsContact OD1-CB 3.22Å; D224-S226 WeakPolarHBondContact OD1-CB 3.45Å; D224-S226 PolarHBondContact OD1-N 2.83Å; D224-S226 PolarHBondContact OD1-OG 2.93Å; D224-S226 PolarHBondContact OD2-OG 3.4Å; D224-S226 VanDerWaalsContact OD2-OG 3.09Å; D224-H227 WeakPolarHBondContact O-CB 3.49Å; D224-H227 PolarHBondContact O-N 3.39Å; D224-H227 VanDerWaalsContact O-N 3.11Å; D224-H227 IonicContact OD2-CE1 2.74Å; D224-H227 IonicContact OD2-ND1 2.98Å; D224-H227 IonicContact OD2-NE2 2.88Å; D224-Y228 VanDerWaalsContact O-CD2 3.32Å; D224-Y228 WeakPolarHBondContact O-CD2 3.35Å
225	L	82.8	Confident	88.1	Confident	126 Å²	126	59.1 Å²	59.1	66%	0.66	30%	0.297	S	S	*	.	H	α-helix	trans	-60	-28.2	178.8	-166.7	69.9	0	0	0	113.4	H227 Y228 T229	L225-H227 PolarHBondContact O-N 3.45Å; L225-Y228 PolarHBondContact O-N 3.2Å; L225-T229 PolarHBondContact O-N 3.18Å; L225-T229 PolarHBondContact O-OG1 2.94Å
226	S	86.3	Confident	87.9	Confident	69 Å²	69	60.3 Å²	60.3	48%	0.483	31%	0.305	S	S	.	.	H	α-helix	trans	-64.5	-33.4	178.9	78.2	0	0	0	0	111.4	D224 T229 R230	D224-S226 PolarHBondContact O-N 3.47Å; D224-S226 VanDerWaalsContact OD1-CB 3.22Å; D224-S226 WeakPolarHBondContact OD1-CB 3.45Å; D224-S226 PolarHBondContact OD1-N 2.83Å; D224-S226 PolarHBondContact OD1-OG 2.93Å; D224-S226 PolarHBondContact OD2-OG 3.4Å; D224-S226 VanDerWaalsContact OD2-OG 3.09Å; S226-T229 PolarHBondContact O-N 3.04Å; S226-R230 PolarHBondContact O-N 3.42Å; S226-R230 VanDerWaalsContact O-N 3.08Å
227	H	88.2	Confident	87.6	Confident	41 Å²	41	66.8 Å²	66.8	19%	0.19	33%	0.326	C	S	.	.	H	α-helix	trans	-69.1	-41.5	177	-69.8	165.3	0	0	0	112.2	F220 A221 D224 L225 T229 R230 L231	F220-H227 HydrophobicContact CB-CB 3.91Å; A221-H227 PolarHBondContact N-ND1 3.36Å; A221-H227 VanDerWaalsContact N-ND1 3.14Å; D224-H227 WeakPolarHBondContact O-CB 3.49Å; D224-H227 PolarHBondContact O-N 3.39Å; D224-H227 VanDerWaalsContact O-N 3.11Å; D224-H227 IonicContact OD2-CE1 2.74Å; D224-H227 IonicContact OD2-ND1 2.98Å; D224-H227 IonicContact OD2-NE2 2.88Å; L225-H227 PolarHBondContact O-N 3.45Å; H227-T229 VanDerWaalsContact C-N 3.27Å; H227-T229 PolarHBondContact O-N 3.17Å; H227-R230 PolarHBondContact CD2-NH2 2.75Å; H227-R230 WeakPolarHBondContact O-CB 3.43Å; H227-R230 PolarHBondContact O-N 3.37Å; H227-R230 VanDerWaalsContact O-N 3.09Å; H227-L231 WeakPolarHBondContact O-CG 3.49Å; H227-L231 PolarHBondContact O-N 2.89Å
228	Y	87.3	Confident	87.4	Confident	15 Å²	15	65.4 Å²	65.4	6%	0.059	32%	0.319	C	S	.	.	H	α-helix	trans	-59.1	-40.6	173.9	-67.3	-93.4	0	0	0	111.6	F220 E222 D224 L225 R230 L231 L232 T253 L254 L257	F220-Y228 HydrophobicContact CE2-CE1 4.24Å; E222-Y228 VanDerWaalsContact O-CE2 3.29Å; E222-Y228 WeakPolarHBondContact O-CE2 3.36Å; E222-Y228 PolarHBondContact O-OH 3.35Å; D224-Y228 VanDerWaalsContact O-CD2 3.32Å; D224-Y228 WeakPolarHBondContact O-CD2 3.35Å; L225-Y228 PolarHBondContact O-N 3.2Å; Y228-R230 VanDerWaalsContact C-N 3.33Å; Y228-R230 PolarHBondContact O-N 3.39Å; Y228-L231 WeakPolarHBondContact O-CB 3.35Å; Y228-L231 PolarHBondContact O-N 3.26Å; Y228-L232 WeakPolarHBondContact O-CG 3.27Å; Y228-L232 PolarHBondContact O-N 3.49Å; Y228-T253 HydrophobicContact CE1-CG2 4.28Å; Y228-L254 HydrophobicContact CD1-CB 4.42Å; Y228-L254 HydrophobicContact CE1-CB 4.36Å; Y228-L257 HydrophobicContact CD1-CD1 4.03Å; Y228-L257 HydrophobicContact CG-CD1 4.17Å
229	T	86.3	Confident	87.3	Confident	64 Å²	64	63.7 Å²	63.7	39%	0.393	31%	0.31	S	S	.	.	H	α-helix	trans	-62.6	-40.3	175.8	-54.1	0	0	0	0	111.8	L225 S226 H227 R233	L225-T229 PolarHBondContact O-N 3.18Å; L225-T229 PolarHBondContact O-OG1 2.94Å; S226-T229 PolarHBondContact O-N 3.04Å; H227-T229 VanDerWaalsContact C-N 3.27Å; H227-T229 PolarHBondContact O-N 3.17Å; T229-R233 WeakPolarHBondContact O-CG 3.42Å; T229-R233 PolarHBondContact O-N 3.44Å
230	R	89.6	Confident	87.3	Confident	108 Å²	108	59.8 Å²	59.8	41%	0.408	29%	0.291	S	S	.	.	H	α-helix	trans	-63.9	-43.1	174.4	-176.9	177.7	69.8	-164.2	1.9	111.5	E219 S226 H227 Y228 R233 T234	E219-R230 PolarHBondContact O-NH2 3.33Å; S226-R230 PolarHBondContact O-N 3.42Å; S226-R230 VanDerWaalsContact O-N 3.08Å; H227-R230 PolarHBondContact CD2-NH2 2.75Å; H227-R230 WeakPolarHBondContact O-CB 3.43Å; H227-R230 PolarHBondContact O-N 3.37Å; H227-R230 VanDerWaalsContact O-N 3.09Å; Y228-R230 VanDerWaalsContact C-N 3.33Å; Y228-R230 PolarHBondContact O-N 3.39Å; R230-R233 PolarHBondContact O-N 2.79Å; R230-T234 WeakPolarHBondContact O-CB 3.39Å; R230-T234 PolarHBondContact O-N 2.92Å; R230-T234 VanDerWaalsContact O-N 3.11Å; R230-T234 PolarHBondContact O-OG1 3.05Å
231	L	90.1	Very high	87.5	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-59.6	-49.9	177.7	-70.4	179.5	0	0	0	111.2	L185 L218 F220 H227 Y228 R233 T234 M235 L254	L185-L231 HydrophobicContact CD1-CD2 4.22Å; L185-L231 HydrophobicContact CD2-CD2 3.74Å; L218-L231 HydrophobicContact CB-CD2 4.16Å; L218-L231 HydrophobicContact CD1-CD2 4.16Å; F220-L231 HydrophobicContact CB-CD1 3.94Å; F220-L231 HydrophobicContact CB-CG 4.45Å; F220-L231 HydrophobicContact CD1-CD1 3.75Å; F220-L231 HydrophobicContact CD2-CD1 4.09Å; F220-L231 HydrophobicContact CE1-CD1 4.21Å; F220-L231 HydrophobicContact CG-CD1 3.68Å; H227-L231 WeakPolarHBondContact O-CG 3.49Å; H227-L231 PolarHBondContact O-N 2.89Å; Y228-L231 WeakPolarHBondContact O-CB 3.35Å; Y228-L231 PolarHBondContact O-N 3.26Å; L231-R233 VanDerWaalsContact C-N 3.28Å; L231-R233 PolarHBondContact O-N 3.48Å; L231-T234 PolarHBondContact O-N 3.43Å; L231-M235 HydrophobicContact CB-CE 4.1Å; L231-M235 WeakPolarHBondContact O-CG 3.49Å; L231-M235 PolarHBondContact O-N 2.86Å; L231-L254 HydrophobicContact CD1-CD1 3.9Å
232	L	88.3	Confident	87.8	Confident	35 Å²	35	58 Å²	58	18%	0.183	28%	0.277	C	S	.	.	H	α-helix	trans	-63.1	-31.4	179.9	-65.3	166.6	0	0	0	113.2	Y228 T234 M235 P236 L257 A258 A261 L263	Y228-L232 WeakPolarHBondContact O-CG 3.27Å; Y228-L232 PolarHBondContact O-N 3.49Å; L232-T234 VanDerWaalsContact C-N 3.31Å; L232-M235 HydrophobicContact CD2-SD 4.42Å; L232-P236 WeakPolarHBondContact O-CD 3.32Å; L232-L257 HydrophobicContact CD1-CB 3.74Å; L232-L257 HydrophobicContact CD1-CD1 4.33Å; L232-L257 HydrophobicContact CD1-CG 4.49Å; L232-L257 HydrophobicContact CD2-CB 4.2Å; L232-A258 HydrophobicContact CD2-CB 4.49Å; L232-A261 HydrophobicContact CD2-CB 4.43Å; L232-L263 HydrophobicContact CD2-CD1 4.19Å
233	R	87.1	Confident	88.4	Confident	184 Å²	184	56.9 Å²	56.9	69%	0.694	27%	0.272	S	S	*	.	H	α-helix	trans	-73.1	-26.1	172.8	-72	179.1	-175.3	176	3.6	113	T229 R230 L231	T229-R233 WeakPolarHBondContact O-CG 3.42Å; T229-R233 PolarHBondContact O-N 3.44Å; R230-R233 PolarHBondContact O-N 2.79Å; L231-R233 VanDerWaalsContact C-N 3.28Å; L231-R233 PolarHBondContact O-N 3.48Å
234	T	87.4	Confident	89	Confident	26 Å²	26	49.5 Å²	49.5	16%	0.16	23%	0.232	C	C	.	.	H	α-helix	trans	-93.5	-35.7	-172.6	-50.5	0	0	0	0	112.2	L218 R230 L231 L232 R237 K238	L218-T234 HydrophobicContact CD1-CG2 3.51Å; R230-T234 WeakPolarHBondContact O-CB 3.39Å; R230-T234 PolarHBondContact O-N 2.92Å; R230-T234 VanDerWaalsContact O-N 3.11Å; R230-T234 PolarHBondContact O-OG1 3.05Å; L231-T234 PolarHBondContact O-N 3.43Å; L232-T234 VanDerWaalsContact C-N 3.31Å; T234-R237 PolarHBondContact O-N 3Å; T234-K238 HydrophobicContact CG2-CB 4.22Å; T234-K238 HydrophobicContact CG2-CD 3.45Å; T234-K238 VanDerWaalsContact CG2-CD 3.45Å; T234-K238 HydrophobicContact CG2-CG 3.62Å; T234-K238 WeakPolarHBondContact O-CB 3.47Å; T234-K238 PolarHBondContact O-N 2.85Å
235	M	89.1	Confident	89.5	Confident	1 Å²	1	47 Å²	47	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-51.2	-47.9	178.5	-70.6	168.6	-174.7	0	0	112.9	L183 L185 L231 L232 R237 K238 G239 I242 L254 L263 F270	L183-M235 HydrophobicContact CD2-CB 4.45Å; L183-M235 HydrophobicContact CD2-CG 4.01Å; L185-M235 HydrophobicContact CD1-CE 3.27Å; L231-M235 HydrophobicContact CB-CE 4.1Å; L231-M235 WeakPolarHBondContact O-CG 3.49Å; L231-M235 PolarHBondContact O-N 2.86Å; L232-M235 HydrophobicContact CD2-SD 4.42Å; M235-R237 PolarHBondContact O-N 2.96Å; M235-R237 VanDerWaalsContact O-N 3.12Å; M235-K238 PolarHBondContact O-N 3.23Å; M235-G239 PolarHBondContact O-N 3.33Å; M235-G239 VanDerWaalsContact O-N 3.1Å; M235-I242 HydrophobicContact CB-CD1 4.07Å; M235-I242 HydrophobicContact CG-CD1 3.9Å; M235-I242 HydrophobicContact SD-CD1 4.21Å; M235-L254 HydrophobicContact CE-CD1 3.82Å; M235-L254 HydrophobicContact CE-CD2 3.64Å; M235-L254 HydrophobicContact CE-CG 3.97Å; M235-L263 HydrophobicContact CB-CD1 4.39Å; M235-L263 HydrophobicContact SD-CD1 4.16Å; M235-F270 HydrophobicContact SD-CE1 4.11Å
236	P	86.6	Confident	90	Very high	42 Å²	42	41.6 Å²	41.6	27%	0.273	19%	0.192	S	C	.	.	H	α-helix	trans	-61.3	-27.1	-179.2	-24.4	35.3	0	0	0	114.1	L232 R240 L263	L232-P236 WeakPolarHBondContact O-CD 3.32Å; P236-R240 PolarHBondContact O-NH1 3.28Å; P236-R240 PolarHBondContact O-NH2 2.79Å; P236-L263 HydrophobicContact CG-CD2 4.04Å
237	R	85.4	Confident	90.2	Very high	175 Å²	175	39.2 Å²	39.2	66%	0.66	18%	0.175	S	C	*	.	H	α-helix	trans	-93.3	-20.2	-177.4	-60.7	-177.3	-180	-172.9	-2.7	113.7	T234 M235 F457	T234-R237 PolarHBondContact O-N 3Å; M235-R237 PolarHBondContact O-N 2.96Å; M235-R237 VanDerWaalsContact O-N 3.12Å; R237-F457 VanDerWaalsContact C-CD1 3.49Å; R237-F457 VanDerWaalsContact O-CB 3.31Å; R237-F457 WeakPolarHBondContact O-CB 3.41Å; R237-F457 WeakPolarHBondContact O-CD1 3.5Å; R237-F457 WeakPolarHBondContact O-CG 3.42Å
238	K	87.3	Confident	90.4	Very high	64 Å²	64	38.2 Å²	38.2	28%	0.278	17%	0.172	S	C	.	.	H	α-helix	trans	-121.2	-16	-167.5	-69.8	-153.6	170.7	-152.2	0	115.8	Q181 L183 D216 T234 M235	Q181-K238 PolarHBondContact NE2-O 2.84Å; L183-K238 HydrophobicContact CD1-CB 4.15Å; L183-K238 HydrophobicContact CD2-CB 4.31Å; D216-K238 HydrophobicContact CB-CB 4.48Å; D216-K238 HydrophobicContact CB-CD 4.04Å; D216-K238 IonicContact OD1-NZ 3.21Å; D216-K238 PolarHBondContact OD1-NZ 2.98Å; T234-K238 HydrophobicContact CG2-CB 4.22Å; T234-K238 HydrophobicContact CG2-CD 3.45Å; T234-K238 VanDerWaalsContact CG2-CD 3.45Å; T234-K238 HydrophobicContact CG2-CG 3.62Å; T234-K238 WeakPolarHBondContact O-CB 3.47Å; T234-K238 PolarHBondContact O-N 2.85Å; M235-K238 PolarHBondContact O-N 3.23Å
239	G	87.6	Confident	90.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.193	C	C	.	.			trans	-172.2	155.3	177.9	0	0	0	0	0	115.2	M235 Y268 F457	M235-G239 PolarHBondContact O-N 3.33Å; M235-G239 VanDerWaalsContact O-N 3.1Å; G239-Y268 WeakPolarHBondContact O-CE1 3.5Å; G239-F457 VanDerWaalsContact N-CE1 3.32Å
240	R	91.9	Very high	90.8	Very high	29 Å²	29	39 Å²	39	11%	0.109	18%	0.176	C	C	.	.	S	Bend	trans	-110.8	-35.1	166.6	-68.6	-54.8	-178.7	-92.1	1.8	112.2	P236 D267 Y268 V269 P450 P453 F457	P236-R240 PolarHBondContact O-NH1 3.28Å; P236-R240 PolarHBondContact O-NH2 2.79Å; R240-D267 WeakPolarHBondContact CB-O 3.24Å; R240-D267 VanDerWaalsContact CD-O 3.25Å; R240-D267 WeakPolarHBondContact CD-O 3.46Å; R240-Y268 VanDerWaalsContact CZ-CZ 3.48Å; R240-Y268 PolarHBondContact NE-OH 3.02Å; R240-Y268 PolarHBondContact NH1-OH 3.38Å; R240-Y268 PolarHBondContact NH2-OH 3.4Å; R240-Y268 WeakPolarHBondContact O-CA 3.34Å; R240-V269 PolarHBondContact O-N 3.07Å; R240-P450 WeakPolarHBondContact CB-O 3.48Å; R240-P453 HydrophobicContact CG-CG 4.22Å; R240-P453 VanDerWaalsContact CZ-CG 3.41Å; R240-P453 VanDerWaalsContact NH2-CG 3.3Å; R240-F457 HydrophobicContact CG-CE1 4.44Å
241	V	95.2	Very high	91	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	110.3	168.3	-175.5	0	0	0	0	108.5	W178 L183 Y243 V269 F271 D451	W178-V241 HydrophobicContact CD2-CG2 3.64Å; W178-V241 HydrophobicContact CE3-CG1 3.96Å; W178-V241 HydrophobicContact CE3-CG2 3.93Å; W178-V241 HydrophobicContact CG-CG2 4Å; W178-V241 HydrophobicContact CH2-CG1 4.4Å; W178-V241 HydrophobicContact CH2-CG2 4.32Å; W178-V241 HydrophobicContact CZ2-CG2 4.07Å; W178-V241 HydrophobicContact CZ3-CG1 3.89Å; W178-V241 HydrophobicContact CZ3-CG2 4.25Å; L183-V241 PolarHBondContact N-O 2.72Å; V241-Y243 HydrophobicContact CG1-CD2 4.46Å; V241-Y243 HydrophobicContact CG1-CE2 3.66Å; V241-V269 HydrophobicContact CB-CG1 4.26Å; V241-V269 HydrophobicContact CG1-CG1 4.16Å; V241-V269 HydrophobicContact CG2-CG1 4.04Å; V241-F271 HydrophobicContact CG1-CD2 4.29Å; V241-F271 HydrophobicContact CG1-CE2 4.06Å; V241-D451 HydrophobicContact CG2-CB 3.96Å
242	I	95.8	Very high	91.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123	-171.5	-56	170.2	0	0	0	109.4	L183 L185 M235 I244 Y268 V269 F270 F271	L183-I242 HydrophobicContact CB-CG1 4.27Å; L183-I242 HydrophobicContact CD2-CD1 4.5Å; L183-I242 HydrophobicContact CD2-CG1 4.29Å; L183-I242 HydrophobicContact CD2-CG2 4.44Å; L183-I242 CarbonylContact O-C 3.56Å; L183-I242 WeakPolarHBondContact O-CA 3.47Å; L185-I242 HydrophobicContact CD1-CG2 3.85Å; L185-I242 HydrophobicContact CG-CG2 4.08Å; M235-I242 HydrophobicContact CB-CD1 4.07Å; M235-I242 HydrophobicContact CG-CD1 3.9Å; M235-I242 HydrophobicContact SD-CD1 4.21Å; I242-I244 HydrophobicContact CG2-CD1 4.07Å; I242-I244 HydrophobicContact CG2-CG1 3.82Å; I242-Y268 HydrophobicContact CD1-CD1 3.96Å; I242-V269 PolarHBondContact N-O 3.45Å; I242-F270 HydrophobicContact CB-CD1 3.89Å; I242-F270 HydrophobicContact CB-CE1 4.28Å; I242-F270 HydrophobicContact CD1-CD1 3.94Å; I242-F270 HydrophobicContact CD1-CE1 3.41Å; I242-F270 VanDerWaalsContact CD1-CE1 3.41Å; I242-F270 HydrophobicContact CD1-CZ 4.12Å; I242-F270 HydrophobicContact CG1-CD1 4.46Å; I242-F270 HydrophobicContact CG1-CE1 4.39Å; I242-F270 HydrophobicContact CG2-CD1 4.13Å; I242-F270 HydrophobicContact CG2-CE1 4.48Å; I242-F270 CarbonylContact O-C 3.55Å; I242-F270 WeakPolarHBondContact O-CA 3.26Å; I242-F271 PolarHBondContact O-N 2.91Å
243	Y	96.8	Very high	91.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	132.8	173.5	-66.4	-83.9	0	0	0	109.6	V169 H173 A182 L183 M184 L185 V241 F271 L273 I312	V169-Y243 HydrophobicContact CG1-CE1 4.25Å; V169-Y243 HydrophobicContact CG1-CE2 4.12Å; V169-Y243 HydrophobicContact CG2-CE1 4.03Å; H173-Y243 PolarHBondContact CD2-OH 2.79Å; H173-Y243 AromaticContact NE2-CE2 3.6Å; H173-Y243 AromaticContact NE2-CZ 3.75Å; H173-Y243 PolarHBondContact NE2-OH 2.97Å; A182-Y243 HydrophobicContact CB-CE2 4.35Å; L183-Y243 PolarHBondContact O-N 3.34Å; M184-Y243 CarbonylContact C-O 3.51Å; M184-Y243 WeakPolarHBondContact CA-O 3.17Å; L185-Y243 PolarHBondContact N-O 3Å; V241-Y243 HydrophobicContact CG1-CD2 4.46Å; V241-Y243 HydrophobicContact CG1-CE2 3.66Å; Y243-F271 CarbonylContact C-O 3.46Å; Y243-F271 WeakPolarHBondContact CA-O 3.38Å; Y243-F271 HydrophobicContact CD1-CB 3.43Å; Y243-F271 VanDerWaalsContact CD1-CB 3.43Å; Y243-F271 HydrophobicContact CD1-CD2 4.09Å; Y243-F271 AromaticContact CD1-CG 3.96Å; Y243-F271 HydrophobicContact CD1-CG 3.96Å; Y243-F271 HydrophobicContact CE1-CB 3.65Å; Y243-F271 HydrophobicContact CE1-CD1 4.39Å; Y243-F271 AromaticContact CE1-CD2 3.6Å; Y243-F271 HydrophobicContact CE1-CD2 3.6Å; Y243-F271 HydrophobicContact CE1-CE2 4.33Å; Y243-F271 AromaticContact CE1-CG 3.63Å; Y243-F271 HydrophobicContact CE1-CG 3.63Å; Y243-F271 HydrophobicContact CG-CB 4.29Å; Y243-F271 AromaticContact CZ-CD2 3.85Å; Y243-L273 HydrophobicContact CD1-CD2 3.97Å; Y243-I312 HydrophobicContact CD1-CD1 4.25Å; Y243-I312 HydrophobicContact CE1-CD1 3.96Å
244	I	96	Very high	91.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	120.2	-174.2	-50	-172.4	0	0	0	109.5	L185 I242 F251 L254 M255 F270 F271 H272 L273	L185-I244 HydrophobicContact CB-CG1 4.21Å; L185-I244 HydrophobicContact CB-CG2 4.3Å; L185-I244 HydrophobicContact CD1-CD1 4.07Å; L185-I244 HydrophobicContact CD1-CG1 4.13Å; L185-I244 HydrophobicContact CG-CG1 4.43Å; L185-I244 CarbonylContact O-C 3.48Å; L185-I244 VanDerWaalsContact O-CA 3.31Å; L185-I244 WeakPolarHBondContact O-CA 3.42Å; I242-I244 HydrophobicContact CG2-CD1 4.07Å; I242-I244 HydrophobicContact CG2-CG1 3.82Å; I244-F251 HydrophobicContact CB-CD2 3.95Å; I244-F251 HydrophobicContact CB-CE2 4.08Å; I244-F251 HydrophobicContact CD1-CD2 4.16Å; I244-F251 HydrophobicContact CD1-CE2 3.95Å; I244-F251 HydrophobicContact CG1-CE2 4.31Å; I244-F251 HydrophobicContact CG2-CD2 4.02Å; I244-L254 HydrophobicContact CD1-CD1 4.02Å; I244-L254 HydrophobicContact CD1-CD2 3.41Å; I244-L254 VanDerWaalsContact CD1-CD2 3.41Å; I244-L254 HydrophobicContact CD1-CG 4.34Å; I244-M255 HydrophobicContact CD1-CE 4.14Å; I244-F270 HydrophobicContact CD1-CD1 4.08Å; I244-F271 PolarHBondContact N-O 3.02Å; I244-H272 PolarHBondContact O-CD2 3.24Å; I244-L273 PolarHBondContact O-N 2.98Å
245	C	95.4	Very high	92	Very high	6 Å²	6	25.7 Å²	25.7	4%	0.041	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	114.1	167	-169.3	0	0	0	0	109.7	L185 Y186 A187 C196 L199 V200 L273	L185-C245 PolarHBondContact O-N 3.1Å; Y186-C245 CarbonylContact C-O 3.55Å; Y186-C245 WeakPolarHBondContact CA-O 3.32Å; A187-C245 PolarHBondContact N-O 3.42Å; C196-C245 WeakPolarHBondContact CA-SG 3.35Å; C196-C245 HydrophobicContact CB-CB 3.62Å; C196-C245 WeakPolarHBondContact CB-SG 3.48Å; C196-C245 WeakPolarHBondContact SG-CB 3.45Å; C196-C245 PolarHBondContact SG-O 3.37Å; C196-C245 VanDerWaalsContact SG-O 3.41Å; C196-C245 CovalentContact SG-SG 2.05Å; C196-C245 PolarHBondContact SG-SG 2.95Å; L199-C245 HydrophobicContact CD2-CB 4.47Å; V200-C245 HydrophobicContact CG2-CB 4.34Å; C245-L273 HydrophobicContact CB-CB 4.14Å; C245-L273 HydrophobicContact CB-CD1 4.36Å
246	S	92.9	Very high	92.2	Very high	13 Å²	13	26.2 Å²	26.2	9%	0.091	13%	0.13	C	C	.	.	S	Bend	trans	-162.9	175.1	178.3	67.8	0	0	0	0	110	F251 H272	S246-F251 PolarHBondContact OG-N 3.3Å; S246-H272 PolarHBondContact O-NE2 3.14Å
247	S	91.2	Very high	92.4	Very high	19 Å²	19	26.2 Å²	26.2	13%	0.133	13%	0.127	C	C	.	.			trans	-58.4	154.4	166.8	67.9	0	0	0	0	112.1	E222 D249 A250 F251	E222-S247 VanDerWaalsContact CD-OG 3.24Å; E222-S247 WeakPolarHBondContact OE1-CB 3.47Å; E222-S247 PolarHBondContact OE1-N 2.84Å; E222-S247 PolarHBondContact OE1-OG 2.76Å; E222-S247 WeakPolarHBondContact OE2-CB 3.43Å; E222-S247 PolarHBondContact OE2-OG 2.95Å; S247-D249 PolarHBondContact O-N 2.93Å; S247-A250 PolarHBondContact O-N 3.01Å; S247-A250 VanDerWaalsContact OG-CB 3.31Å; S247-A250 WeakPolarHBondContact OG-CB 3.41Å; S247-A250 PolarHBondContact OG-N 2.9Å; S247-F251 PolarHBondContact O-N 3.12Å
248	P	91.3	Very high	92.7	Very high	20 Å²	20	17.9 Å²	17.9	13%	0.13	10%	0.096	C	C	.	.	H	α-helix	trans	-55.1	-36	177.3	-28.9	37	0	0	0	113.7	R252 Q278	P248-R252 WeakPolarHBondContact O-CB 3.36Å; P248-R252 PolarHBondContact O-N 2.83Å; P248-Q278 HydrophobicContact CG-CB 3.85Å
249	D	90.6	Very high	92.9	Very high	91 Å²	91	16.4 Å²	16.4	49%	0.487	9%	0.091	S	C	.	.	H	α-helix	trans	-77.7	-37.8	-178.3	-62.8	-30.4	0	0	0	112	S247 F251 R252 T253 R294	S247-D249 PolarHBondContact O-N 2.93Å; D249-F251 VanDerWaalsContact C-N 3.33Å; D249-F251 PolarHBondContact O-N 3.47Å; D249-R252 PolarHBondContact O-N 3.47Å; D249-T253 WeakPolarHBondContact O-CB 3.42Å; D249-T253 PolarHBondContact O-N 3.44Å; D249-T253 PolarHBondContact O-OG1 3.05Å; D249-R294 IonicContact OD1-CZ 3.95Å; D249-R294 IonicContact OD1-NE 3.24Å; D249-R294 PolarHBondContact OD1-NE 2.89Å; D249-R294 IonicContact OD1-NH2 3.02Å; D249-R294 PolarHBondContact OD1-NH2 3.45Å
250	A	91.5	Very high	93.1	Very high	4 Å²	4	23.9 Å²	23.9	3%	0.033	13%	0.126	C	C	.	.	H	α-helix	trans	-62.3	-41.1	171.5	0	0	0	0	0	111.5	E222 S247 T253 L254	E222-A250 HydrophobicContact CB-CB 4.36Å; E222-A250 HydrophobicContact CG-CB 4.06Å; S247-A250 PolarHBondContact O-N 3.01Å; S247-A250 VanDerWaalsContact OG-CB 3.31Å; S247-A250 WeakPolarHBondContact OG-CB 3.41Å; S247-A250 PolarHBondContact OG-N 2.9Å; A250-T253 PolarHBondContact O-N 3.15Å; A250-L254 WeakPolarHBondContact O-CB 3.18Å; A250-L254 PolarHBondContact O-N 3.49Å
251	F	93.9	Very high	92.9	Very high	1 Å²	1	25.1 Å²	25.1	0%	0.004	14%	0.143	C	C	.	.	H	α-helix	trans	-63.9	-45.3	175.5	-175.9	-100.3	0	0	0	111.3	I244 S246 S247 D249 T253 L254 M255 F270 H272 F306 A309	I244-F251 HydrophobicContact CB-CD2 3.95Å; I244-F251 HydrophobicContact CB-CE2 4.08Å; I244-F251 HydrophobicContact CD1-CD2 4.16Å; I244-F251 HydrophobicContact CD1-CE2 3.95Å; I244-F251 HydrophobicContact CG1-CE2 4.31Å; I244-F251 HydrophobicContact CG2-CD2 4.02Å; S246-F251 PolarHBondContact OG-N 3.3Å; S247-F251 PolarHBondContact O-N 3.12Å; D249-F251 VanDerWaalsContact C-N 3.33Å; D249-F251 PolarHBondContact O-N 3.47Å; F251-T253 PolarHBondContact O-N 2.81Å; F251-L254 PolarHBondContact O-N 2.82Å; F251-M255 HydrophobicContact CD1-CG 4.04Å; F251-M255 HydrophobicContact CE1-CG 3.6Å; F251-M255 HydrophobicContact CE1-SD 4.16Å; F251-M255 HydrophobicContact CE2-CE 3.92Å; F251-M255 HydrophobicContact CE2-CG 4.41Å; F251-M255 HydrophobicContact CE2-SD 4.33Å; F251-M255 HydrophobicContact CZ-CE 3.97Å; F251-M255 HydrophobicContact CZ-CG 3.8Å; F251-M255 HydrophobicContact CZ-SD 3.77Å; F251-M255 WeakPolarHBondContact O-CG 3.46Å; F251-M255 PolarHBondContact O-N 2.76Å; F251-F270 HydrophobicContact CE2-CB 4.42Å; F251-F270 HydrophobicContact CZ-CB 4.27Å; F251-H272 HydrophobicContact CD1-CB 4Å; F251-H272 AromaticContact CD1-CG 3.88Å; F251-H272 AromaticContact CD1-ND1 3.78Å; F251-H272 HydrophobicContact CD2-CB 3.8Å; F251-H272 AromaticContact CD2-CD2 3.88Å; F251-H272 AromaticContact CD2-CG 3.76Å; F251-H272 HydrophobicContact CE1-CB 3.84Å; F251-H272 HydrophobicContact CE2-CB 3.62Å; F251-H272 HydrophobicContact CG-CB 4Å; F251-H272 AromaticContact CG-CD2 3.91Å; F251-H272 AromaticContact CG-CG 3.63Å; F251-H272 AromaticContact CG-ND1 3.8Å; F251-H272 HydrophobicContact CZ-CB 3.66Å; F251-F306 HydrophobicContact CD1-CE1 4.13Å; F251-F306 AromaticContact CD1-CZ 3.91Å; F251-F306 HydrophobicContact CD1-CZ 3.91Å; F251-F306 AromaticContact CE1-CE1 3.96Å; F251-F306 HydrophobicContact CE1-CE1 3.96Å; F251-F306 HydrophobicContact CE1-CZ 4.03Å; F251-A309 HydrophobicContact CE1-CB 3.98Å; F251-A309 HydrophobicContact CZ-CB 3.92Å
252	R	93.8	Very high	92.5	Very high	13 Å²	13	27.6 Å²	27.6	5%	0.049	17%	0.168	C	C	.	.	H	α-helix	trans	-59.2	-46.7	176.4	-178.5	179.3	-179.3	-92.8	8.4	112.1	P248 D249 L254 M255 L256 W292 D296 D299 F306	P248-R252 WeakPolarHBondContact O-CB 3.36Å; P248-R252 PolarHBondContact O-N 2.83Å; D249-R252 PolarHBondContact O-N 3.47Å; R252-L254 VanDerWaalsContact C-N 3.33Å; R252-L254 PolarHBondContact O-N 3.47Å; R252-M255 PolarHBondContact O-N 2.94Å; R252-L256 HydrophobicContact CG-CD1 4.25Å; R252-L256 WeakPolarHBondContact O-CG 3.25Å; R252-L256 PolarHBondContact O-N 3.38Å; R252-W292 PolarHBondContact NE-O 2.83Å; R252-D296 IonicContact CZ-OD1 2.84Å; R252-D296 IonicContact CZ-OD2 2.62Å; R252-D296 VanDerWaalsContact CZ-OD2 3.23Å; R252-D296 IonicContact NH1-OD1 2.77Å; R252-D296 IonicContact NH1-OD2 4Å; R252-D296 PolarHBondContact NH1-OD2 2.89Å; R252-D296 IonicContact NH2-OD1 3.25Å; R252-D296 PolarHBondContact NH2-OD1 3.29Å; R252-D296 IonicContact NH2-OD2 3.88Å; R252-D296 PolarHBondContact NH2-OD2 3.34Å; R252-D299 IonicContact NH2-OD1 3Å; R252-D299 PolarHBondContact NH2-OD1 2.93Å; R252-F306 HydrophobicContact CB-CE2 4.26Å; R252-F306 HydrophobicContact CB-CZ 4.13Å; R252-F306 HydrophobicContact CG-CE2 4.12Å; R252-F306 HydrophobicContact CG-CZ 4.35Å
253	T	92.3	Very high	92	Very high	57 Å²	57	28.3 Å²	28.3	35%	0.35	17%	0.172	S	C	.	.	H	α-helix	trans	-59.7	-44.4	177.4	-61	0	0	0	0	111.1	Y228 D249 A250 F251 M255 L256 L257	Y228-T253 HydrophobicContact CE1-CG2 4.28Å; D249-T253 WeakPolarHBondContact O-CB 3.42Å; D249-T253 PolarHBondContact O-N 3.44Å; D249-T253 PolarHBondContact O-OG1 3.05Å; A250-T253 PolarHBondContact O-N 3.15Å; F251-T253 PolarHBondContact O-N 2.81Å; T253-M255 PolarHBondContact O-N 2.8Å; T253-L256 PolarHBondContact O-N 2.94Å; T253-L257 HydrophobicContact CG2-CD1 4.13Å; T253-L257 WeakPolarHBondContact O-CG 3.42Å; T253-L257 PolarHBondContact O-N 3.24Å
254	L	93.1	Very high	91.1	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-64.7	-38.7	177.9	-171.4	152.4	0	0	0	112	L185 Y228 L231 M235 I244 A250 F251 R252 L257 A258	L185-L254 HydrophobicContact CD1-CD1 4.35Å; Y228-L254 HydrophobicContact CD1-CB 4.42Å; Y228-L254 HydrophobicContact CE1-CB 4.36Å; L231-L254 HydrophobicContact CD1-CD1 3.9Å; M235-L254 HydrophobicContact CE-CD1 3.82Å; M235-L254 HydrophobicContact CE-CD2 3.64Å; M235-L254 HydrophobicContact CE-CG 3.97Å; I244-L254 HydrophobicContact CD1-CD1 4.02Å; I244-L254 HydrophobicContact CD1-CD2 3.41Å; I244-L254 VanDerWaalsContact CD1-CD2 3.41Å; I244-L254 HydrophobicContact CD1-CG 4.34Å; A250-L254 WeakPolarHBondContact O-CB 3.18Å; A250-L254 PolarHBondContact O-N 3.49Å; F251-L254 PolarHBondContact O-N 2.82Å; R252-L254 VanDerWaalsContact C-N 3.33Å; R252-L254 PolarHBondContact O-N 3.47Å; L254-L257 PolarHBondContact O-N 3.43Å; L254-A258 VanDerWaalsContact O-CB 3.27Å; L254-A258 WeakPolarHBondContact O-CB 3.48Å; L254-A258 PolarHBondContact O-N 2.78Å
255	M	93.9	Very high	90	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-63.5	-42.8	174.9	-71.4	-57.7	95.1	0	0	112.2	I244 F251 R252 T253 A258 L259 F270 A305 F306 A309	I244-M255 HydrophobicContact CD1-CE 4.14Å; F251-M255 HydrophobicContact CD1-CG 4.04Å; F251-M255 HydrophobicContact CE1-CG 3.6Å; F251-M255 HydrophobicContact CE1-SD 4.16Å; F251-M255 HydrophobicContact CE2-CE 3.92Å; F251-M255 HydrophobicContact CE2-CG 4.41Å; F251-M255 HydrophobicContact CE2-SD 4.33Å; F251-M255 HydrophobicContact CZ-CE 3.97Å; F251-M255 HydrophobicContact CZ-CG 3.8Å; F251-M255 HydrophobicContact CZ-SD 3.77Å; F251-M255 WeakPolarHBondContact O-CG 3.46Å; F251-M255 PolarHBondContact O-N 2.76Å; R252-M255 PolarHBondContact O-N 2.94Å; T253-M255 PolarHBondContact O-N 2.8Å; M255-A258 PolarHBondContact O-N 2.72Å; M255-L259 PolarHBondContact O-N 3.46Å; M255-F270 HydrophobicContact CE-CB 3.58Å; M255-F270 HydrophobicContact CE-CD1 3.46Å; M255-F270 VanDerWaalsContact CE-CD1 3.46Å; M255-F270 HydrophobicContact CE-CD2 3.87Å; M255-F270 HydrophobicContact CE-CE1 4.01Å; M255-F270 HydrophobicContact CE-CE2 4.4Å; M255-F270 HydrophobicContact CE-CG 3.36Å; M255-F270 HydrophobicContact CE-CZ 4.45Å; M255-F270 HydrophobicContact SD-CB 3.73Å; M255-F270 HydrophobicContact SD-CD1 4.45Å; M255-F270 HydrophobicContact SD-CD2 3.83Å; M255-F270 HydrophobicContact SD-CG 3.77Å; M255-A305 HydrophobicContact CB-CB 3.97Å; M255-A305 WeakPolarHBondContact O-CB 3.39Å; M255-F306 HydrophobicContact CB-CD2 3.98Å; M255-F306 HydrophobicContact CB-CE2 3.76Å; M255-F306 HydrophobicContact CG-CD2 4.05Å; M255-F306 HydrophobicContact CG-CE2 3.82Å; M255-F306 HydrophobicContact CG-CZ 4.35Å; M255-A309 HydrophobicContact SD-CB 4.05Å
256	L	93.2	Very high	89.3	Confident	13 Å²	13	36 Å²	36	7%	0.068	22%	0.215	C	C	.	.	H	α-helix	trans	-61.8	-46.5	176.2	-74.3	165.5	0	0	0	111.7	R252 T253 A258 L259 E260 Q298 A302	R252-L256 HydrophobicContact CG-CD1 4.25Å; R252-L256 WeakPolarHBondContact O-CG 3.25Å; R252-L256 PolarHBondContact O-N 3.38Å; T253-L256 PolarHBondContact O-N 2.94Å; L256-A258 VanDerWaalsContact C-N 3.32Å; L256-A258 PolarHBondContact O-N 2.98Å; L256-L259 WeakPolarHBondContact O-CB 3.48Å; L256-L259 PolarHBondContact O-N 3.39Å; L256-E260 PolarHBondContact O-N 2.87Å; L256-Q298 HydrophobicContact CD1-CB 4.48Å; L256-Q298 VanDerWaalsContact CD1-OE1 3.3Å; L256-A302 HydrophobicContact CD2-CB 3.97Å; L256-A302 HydrophobicContact CG-CB 4.46Å
257	L	92.1	Very high	88.9	Confident	41 Å²	41	39.8 Å²	39.8	22%	0.215	23%	0.234	C	C	.	.	H	α-helix	trans	-65.9	-34.5	177	-68.2	173.5	0	0	0	112.7	Y228 L232 T253 L254 L259 E260 A261	Y228-L257 HydrophobicContact CD1-CD1 4.03Å; Y228-L257 HydrophobicContact CG-CD1 4.17Å; L232-L257 HydrophobicContact CD1-CB 3.74Å; L232-L257 HydrophobicContact CD1-CD1 4.33Å; L232-L257 HydrophobicContact CD1-CG 4.49Å; L232-L257 HydrophobicContact CD2-CB 4.2Å; T253-L257 HydrophobicContact CG2-CD1 4.13Å; T253-L257 WeakPolarHBondContact O-CG 3.42Å; T253-L257 PolarHBondContact O-N 3.24Å; L254-L257 PolarHBondContact O-N 3.43Å; L257-L259 VanDerWaalsContact C-N 3.35Å; L257-E260 PolarHBondContact O-N 3.02Å; L257-A261 WeakPolarHBondContact O-CB 3.49Å; L257-A261 PolarHBondContact O-N 2.85Å
258	A	91.8	Very high	88.9	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-64.2	-41.1	174.1	0	0	0	0	0	111.2	L232 L254 M255 L256 A261 G262 L263 F270	L232-A258 HydrophobicContact CD2-CB 4.49Å; L254-A258 VanDerWaalsContact O-CB 3.27Å; L254-A258 WeakPolarHBondContact O-CB 3.48Å; L254-A258 PolarHBondContact O-N 2.78Å; M255-A258 PolarHBondContact O-N 2.72Å; L256-A258 VanDerWaalsContact C-N 3.32Å; L256-A258 PolarHBondContact O-N 2.98Å; A258-A261 CarbonylContact O-C 3.56Å; A258-A261 PolarHBondContact O-N 3.22Å; A258-G262 PolarHBondContact O-N 2.98Å; A258-L263 HydrophobicContact CB-CB 4.16Å; A258-L263 HydrophobicContact CB-CD1 4.43Å; A258-L263 WeakPolarHBondContact O-CB 3.4Å; A258-L263 PolarHBondContact O-N 3.39Å; A258-F270 HydrophobicContact CB-CE2 4.42Å; A258-F270 HydrophobicContact CB-CZ 4Å
259	L	91.6	Very high	89.1	Confident	33 Å²	33	38.7 Å²	38.7	17%	0.173	23%	0.225	C	C	.	.	H	α-helix	trans	-63.5	-44.1	174.3	-177.4	67.6	0	0	0	111.7	M255 L256 L257 A261 G262 S301 Q304 A305	M255-L259 PolarHBondContact O-N 3.46Å; L256-L259 WeakPolarHBondContact O-CB 3.48Å; L256-L259 PolarHBondContact O-N 3.39Å; L257-L259 VanDerWaalsContact C-N 3.35Å; L259-A261 VanDerWaalsContact C-N 3.26Å; L259-A261 PolarHBondContact O-N 2.94Å; L259-G262 PolarHBondContact O-N 2.98Å; L259-S301 WeakPolarHBondContact CD2-O 3.29Å; L259-Q304 HydrophobicContact CD1-CG 4.12Å; L259-Q304 HydrophobicContact CD2-CB 4.1Å; L259-Q304 HydrophobicContact CD2-CG 4.19Å; L259-A305 HydrophobicContact CB-CB 3.94Å; L259-A305 HydrophobicContact CD2-CB 4.1Å
260	E	90.4	Very high	89.4	Confident	156 Å²	156	34.4 Å²	34.4	73%	0.729	20%	0.202	S	C	*	.	H	α-helix	trans	-61.8	-34	175.4	-71.7	179.2	-178.9	0	0	112.6	L256 L257 G262	L256-E260 PolarHBondContact O-N 2.87Å; L257-E260 PolarHBondContact O-N 3.02Å; E260-G262 VanDerWaalsContact C-N 3.26Å; E260-G262 PolarHBondContact O-N 2.82Å
261	A	88.4	Confident	89.6	Confident	56 Å²	56	34.2 Å²	34.2	46%	0.463	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	0.1	175.5	0	0	0	0	0	113.9	L232 L257 A258 L259 L263	L232-A261 HydrophobicContact CD2-CB 4.43Å; L257-A261 WeakPolarHBondContact O-CB 3.49Å; L257-A261 PolarHBondContact O-N 2.85Å; A258-A261 CarbonylContact O-C 3.56Å; A258-A261 PolarHBondContact O-N 3.22Å; L259-A261 VanDerWaalsContact C-N 3.26Å; L259-A261 PolarHBondContact O-N 2.94Å; A261-L263 VanDerWaalsContact C-N 3.32Å; A261-L263 HydrophobicContact CB-CD1 4.31Å; A261-L263 HydrophobicContact CB-CG 4.1Å; A261-L263 PolarHBondContact O-N 3.01Å
262	G	87.1	Confident	89.8	Confident	52 Å²	52	34.3 Å²	34.3	54%	0.536	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	17.8	-178.6	0	0	0	0	0	114.7	A258 L259 E260 C264	A258-G262 PolarHBondContact O-N 2.98Å; L259-G262 PolarHBondContact O-N 2.98Å; E260-G262 VanDerWaalsContact C-N 3.26Å; E260-G262 PolarHBondContact O-N 2.82Å; G262-C264 VanDerWaalsContact C-N 3.28Å; G262-C264 PolarHBondContact O-N 3.12Å
263	L	85.6	Confident	89.9	Confident	15 Å²	15	33.9 Å²	33.9	8%	0.079	20%	0.199	C	C	.	.			trans	-83.6	73.1	177	-52.5	177.3	0	0	0	109.6	L232 M235 P236 A258 A261 Y268 F270	L232-L263 HydrophobicContact CD2-CD1 4.19Å; M235-L263 HydrophobicContact CB-CD1 4.39Å; M235-L263 HydrophobicContact SD-CD1 4.16Å; P236-L263 HydrophobicContact CG-CD2 4.04Å; A258-L263 HydrophobicContact CB-CB 4.16Å; A258-L263 HydrophobicContact CB-CD1 4.43Å; A258-L263 WeakPolarHBondContact O-CB 3.4Å; A258-L263 PolarHBondContact O-N 3.39Å; A261-L263 VanDerWaalsContact C-N 3.32Å; A261-L263 HydrophobicContact CB-CD1 4.31Å; A261-L263 HydrophobicContact CB-CG 4.1Å; A261-L263 PolarHBondContact O-N 3.01Å; L263-Y268 HydrophobicContact CB-CD2 4.14Å; L263-Y268 HydrophobicContact CB-CE2 4.21Å; L263-Y268 HydrophobicContact CB-CG 4.48Å; L263-Y268 HydrophobicContact CD2-CD2 4.46Å; L263-Y268 HydrophobicContact CD2-CE1 4.26Å; L263-Y268 HydrophobicContact CD2-CE2 3.7Å; L263-Y268 WeakPolarHBondContact CD2-OH 3.49Å; L263-F270 HydrophobicContact CB-CZ 4.34Å
264	C	77.6	Confident	89.9	Confident	49 Å²	49	31.7 Å²	31.7	33%	0.331	19%	0.185	S	C	.	.			trans	-87.1	164.8	-174.1	-65.6	0	0	0	0	113.2	G262 E266 D267 Y268	G262-C264 VanDerWaalsContact C-N 3.28Å; G262-C264 PolarHBondContact O-N 3.12Å; C264-E266 PolarHBondContact O-N 3.49Å; C264-D267 PolarHBondContact O-N 3.17Å; C264-Y268 PolarHBondContact O-N 3.03Å; C264-Y268 VanDerWaalsContact O-N 3.16Å
265	G	71.7	Confident	89.9	Confident	10 Å²	10	32.1 Å²	32.1	10%	0.103	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	3.7	-178.8	0	0	0	0	0	116.2	Y268 A308	G265-Y268 VanDerWaalsContact CA-O 3.31Å; G265-Y268 WeakPolarHBondContact CA-O 3.42Å; G265-A308 VanDerWaalsContact CA-CB 3.43Å
266	E	80.7	Confident	89.7	Confident	109 Å²	109	33.3 Å²	33.3	51%	0.509	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-44.1	172.4	-63.7	-168.6	177.6	0	0	111.4	C264 L445	C264-E266 PolarHBondContact O-N 3.49Å; E266-L445 HydrophobicContact CB-CD1 3.67Å; E266-L445 HydrophobicContact CB-CG 4.14Å; E266-L445 HydrophobicContact CG-CD1 3.9Å; E266-L445 HydrophobicContact CG-CD2 4.04Å; E266-L445 HydrophobicContact CG-CG 3.87Å
267	D	85.6	Confident	89.5	Confident	92 Å²	92	32.9 Å²	32.9	49%	0.492	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-20.1	-178	-72.4	-34.1	0	0	0	112.6	R240 C264 P449	R240-D267 WeakPolarHBondContact CB-O 3.24Å; R240-D267 VanDerWaalsContact CD-O 3.25Å; R240-D267 WeakPolarHBondContact CD-O 3.46Å; C264-D267 PolarHBondContact O-N 3.17Å; D267-P449 VanDerWaalsContact C-CB 3.5Å; D267-P449 WeakPolarHBondContact O-CB 3.43Å
268	Y	91.8	Very high	89.2	Confident	14 Å²	14	35.9 Å²	35.9	6%	0.055	20%	0.204	C	C	.	.			trans	-121.1	151.9	-172.3	-62.6	-96.2	0	0	0	112.3	G239 R240 I242 L263 C264 G265 F270	G239-Y268 WeakPolarHBondContact O-CE1 3.5Å; R240-Y268 VanDerWaalsContact CZ-CZ 3.48Å; R240-Y268 PolarHBondContact NE-OH 3.02Å; R240-Y268 PolarHBondContact NH1-OH 3.38Å; R240-Y268 PolarHBondContact NH2-OH 3.4Å; R240-Y268 WeakPolarHBondContact O-CA 3.34Å; I242-Y268 HydrophobicContact CD1-CD1 3.96Å; L263-Y268 HydrophobicContact CB-CD2 4.14Å; L263-Y268 HydrophobicContact CB-CE2 4.21Å; L263-Y268 HydrophobicContact CB-CG 4.48Å; L263-Y268 HydrophobicContact CD2-CD2 4.46Å; L263-Y268 HydrophobicContact CD2-CE1 4.26Å; L263-Y268 HydrophobicContact CD2-CE2 3.7Å; L263-Y268 WeakPolarHBondContact CD2-OH 3.49Å; C264-Y268 PolarHBondContact O-N 3.03Å; C264-Y268 VanDerWaalsContact O-N 3.16Å; G265-Y268 VanDerWaalsContact CA-O 3.31Å; G265-Y268 WeakPolarHBondContact CA-O 3.42Å; Y268-F270 HydrophobicContact CG-CZ 4.44Å
269	V	94.8	Very high	88.8	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	130.6	166.4	60.2	0	0	0	0	109.4	W178 R240 V241 I242 F271 K310 W443 P449	W178-V269 HydrophobicContact CH2-CG1 3.76Å; W178-V269 HydrophobicContact CZ2-CG1 3.92Å; R240-V269 PolarHBondContact O-N 3.07Å; V241-V269 HydrophobicContact CB-CG1 4.26Å; V241-V269 HydrophobicContact CG1-CG1 4.16Å; V241-V269 HydrophobicContact CG2-CG1 4.04Å; I242-V269 PolarHBondContact N-O 3.45Å; V269-F271 HydrophobicContact CB-CE2 4.37Å; V269-F271 HydrophobicContact CG1-CD2 4.44Å; V269-F271 HydrophobicContact CG1-CE2 3.8Å; V269-F271 HydrophobicContact CG2-CD2 4.2Å; V269-F271 HydrophobicContact CG2-CE2 3.65Å; V269-F271 HydrophobicContact CG2-CZ 3.89Å; V269-K310 HydrophobicContact CG2-CD 4.29Å; V269-K310 HydrophobicContact CG2-CG 4.42Å; V269-W443 HydrophobicContact CB-CZ3 4.08Å; V269-W443 HydrophobicContact CG2-CH2 4.11Å; V269-W443 HydrophobicContact CG2-CZ3 3.77Å; V269-P449 HydrophobicContact CB-CG 4.07Å; V269-P449 HydrophobicContact CG1-CG 4.09Å
270	F	95.8	Very high	88.4	Confident	1 Å²	1	35.6 Å²	35.6	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	117.4	-178.1	-59.9	-85.6	0	0	0	110.1	M235 I242 I244 F251 M255 A258 L263 Y268 A308 A309 K310	M235-F270 HydrophobicContact SD-CE1 4.11Å; I242-F270 HydrophobicContact CB-CD1 3.89Å; I242-F270 HydrophobicContact CB-CE1 4.28Å; I242-F270 HydrophobicContact CD1-CD1 3.94Å; I242-F270 HydrophobicContact CD1-CE1 3.41Å; I242-F270 VanDerWaalsContact CD1-CE1 3.41Å; I242-F270 HydrophobicContact CD1-CZ 4.12Å; I242-F270 HydrophobicContact CG1-CD1 4.46Å; I242-F270 HydrophobicContact CG1-CE1 4.39Å; I242-F270 HydrophobicContact CG2-CD1 4.13Å; I242-F270 HydrophobicContact CG2-CE1 4.48Å; I242-F270 CarbonylContact O-C 3.55Å; I242-F270 WeakPolarHBondContact O-CA 3.26Å; I244-F270 HydrophobicContact CD1-CD1 4.08Å; F251-F270 HydrophobicContact CE2-CB 4.42Å; F251-F270 HydrophobicContact CZ-CB 4.27Å; M255-F270 HydrophobicContact CE-CB 3.58Å; M255-F270 HydrophobicContact CE-CD1 3.46Å; M255-F270 VanDerWaalsContact CE-CD1 3.46Å; M255-F270 HydrophobicContact CE-CD2 3.87Å; M255-F270 HydrophobicContact CE-CE1 4.01Å; M255-F270 HydrophobicContact CE-CE2 4.4Å; M255-F270 HydrophobicContact CE-CG 3.36Å; M255-F270 HydrophobicContact CE-CZ 4.45Å; M255-F270 HydrophobicContact SD-CB 3.73Å; M255-F270 HydrophobicContact SD-CD1 4.45Å; M255-F270 HydrophobicContact SD-CD2 3.83Å; M255-F270 HydrophobicContact SD-CG 3.77Å; A258-F270 HydrophobicContact CB-CE2 4.42Å; A258-F270 HydrophobicContact CB-CZ 4Å; L263-F270 HydrophobicContact CB-CZ 4.34Å; Y268-F270 HydrophobicContact CG-CZ 4.44Å; F270-A308 HydrophobicContact CD2-CB 3.95Å; F270-A308 HydrophobicContact CE2-CB 4.32Å; F270-A308 PolarHBondContact N-O 3.15Å; F270-A309 CarbonylContact O-C 3.59Å; F270-A309 VanDerWaalsContact O-CA 3.26Å; F270-A309 WeakPolarHBondContact O-CA 3.35Å; F270-K310 PolarHBondContact O-N 2.91Å
271	F	96.9	Very high	87.3	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	113	176	-70.8	-82	0	0	0	110.3	L172 W178 V241 I242 Y243 I244 V269 K310 I312 L410	L172-F271 HydrophobicContact CD2-CE1 3.81Å; L172-F271 HydrophobicContact CD2-CZ 3.86Å; W178-F271 AromaticContact CH2-CE2 3.75Å; W178-F271 HydrophobicContact CH2-CE2 3.75Å; W178-F271 AromaticContact CH2-CZ 3.81Å; W178-F271 HydrophobicContact CH2-CZ 3.81Å; W178-F271 AromaticContact CZ3-CE2 3.71Å; W178-F271 HydrophobicContact CZ3-CE2 3.71Å; W178-F271 AromaticContact CZ3-CZ 3.87Å; W178-F271 HydrophobicContact CZ3-CZ 3.87Å; V241-F271 HydrophobicContact CG1-CD2 4.29Å; V241-F271 HydrophobicContact CG1-CE2 4.06Å; I242-F271 PolarHBondContact O-N 2.91Å; Y243-F271 CarbonylContact C-O 3.46Å; Y243-F271 WeakPolarHBondContact CA-O 3.38Å; Y243-F271 HydrophobicContact CD1-CB 3.43Å; Y243-F271 VanDerWaalsContact CD1-CB 3.43Å; Y243-F271 HydrophobicContact CD1-CD2 4.09Å; Y243-F271 AromaticContact CD1-CG 3.96Å; Y243-F271 HydrophobicContact CD1-CG 3.96Å; Y243-F271 HydrophobicContact CE1-CB 3.65Å; Y243-F271 HydrophobicContact CE1-CD1 4.39Å; Y243-F271 AromaticContact CE1-CD2 3.6Å; Y243-F271 HydrophobicContact CE1-CD2 3.6Å; Y243-F271 HydrophobicContact CE1-CE2 4.33Å; Y243-F271 AromaticContact CE1-CG 3.63Å; Y243-F271 HydrophobicContact CE1-CG 3.63Å; Y243-F271 HydrophobicContact CG-CB 4.29Å; Y243-F271 AromaticContact CZ-CD2 3.85Å; I244-F271 PolarHBondContact N-O 3.02Å; V269-F271 HydrophobicContact CB-CE2 4.37Å; V269-F271 HydrophobicContact CG1-CD2 4.44Å; V269-F271 HydrophobicContact CG1-CE2 3.8Å; V269-F271 HydrophobicContact CG2-CD2 4.2Å; V269-F271 HydrophobicContact CG2-CE2 3.65Å; V269-F271 HydrophobicContact CG2-CZ 3.89Å; F271-K310 CarbonylContact C-O 3.34Å; F271-K310 VanDerWaalsContact CA-O 3.28Å; F271-K310 WeakPolarHBondContact CA-O 3.45Å; F271-K310 HydrophobicContact CD1-CB 3.72Å; F271-K310 HydrophobicContact CE1-CB 3.75Å; F271-K310 HydrophobicContact CE1-CD 3.82Å; F271-K310 HydrophobicContact CE1-CG 4.26Å; F271-K310 HydrophobicContact CZ-CD 4.17Å; F271-I312 HydrophobicContact CB-CD1 3.96Å; F271-I312 HydrophobicContact CD1-CD1 3.76Å; F271-I312 HydrophobicContact CD1-CG1 4.1Å; F271-I312 HydrophobicContact CG-CD1 4.11Å; F271-L410 HydrophobicContact CD1-CD1 3.97Å; F271-L410 HydrophobicContact CE1-CD1 3.77Å
272	H	97.1	Very high	85.4	Confident	2 Å²	2	34 Å²	34	1%	0.009	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	119.4	169.8	-169.2	-164.9	0	0	0	109.6	I244 S246 F251 D274 K310 I311 I312	I244-H272 PolarHBondContact O-CD2 3.24Å; S246-H272 PolarHBondContact O-NE2 3.14Å; F251-H272 HydrophobicContact CD1-CB 4Å; F251-H272 AromaticContact CD1-CG 3.88Å; F251-H272 AromaticContact CD1-ND1 3.78Å; F251-H272 HydrophobicContact CD2-CB 3.8Å; F251-H272 AromaticContact CD2-CD2 3.88Å; F251-H272 AromaticContact CD2-CG 3.76Å; F251-H272 HydrophobicContact CE1-CB 3.84Å; F251-H272 HydrophobicContact CE2-CB 3.62Å; F251-H272 HydrophobicContact CG-CB 4Å; F251-H272 AromaticContact CG-CD2 3.91Å; F251-H272 AromaticContact CG-CG 3.63Å; F251-H272 AromaticContact CG-ND1 3.8Å; F251-H272 HydrophobicContact CZ-CB 3.66Å; H272-D274 PolarHBondContact O-N 2.85Å; H272-D274 VanDerWaalsContact O-N 3.08Å; H272-K310 PolarHBondContact N-O 3.14Å; H272-I311 HydrophobicContact CB-CG1 4.19Å; H272-I311 HydrophobicContact CB-CG2 4.41Å; H272-I312 PolarHBondContact O-N 3.02Å
273	L	96.1	Very high	83.4	Confident	4 Å²	4	32.7 Å²	32.7	2%	0.021	20%	0.195	C	C	.	.			trans	-83.6	62.8	176.3	-60.2	-179.6	0	0	0	110.7	L165 L199 V200 L203 Y243 I244 C245 I275 I312	L165-L273 HydrophobicContact CD2-CD2 4.36Å; L199-L273 HydrophobicContact CD2-CB 3.93Å; L199-L273 HydrophobicContact CD2-CD1 3.41Å; L199-L273 VanDerWaalsContact CD2-CD1 3.41Å; L199-L273 HydrophobicContact CD2-CG 4.21Å; V200-L273 HydrophobicContact CG2-CD1 4.47Å; L203-L273 HydrophobicContact CD1-CD1 3.71Å; L203-L273 HydrophobicContact CD1-CD2 4.16Å; Y243-L273 HydrophobicContact CD1-CD2 3.97Å; I244-L273 PolarHBondContact O-N 2.98Å; C245-L273 HydrophobicContact CB-CB 4.14Å; C245-L273 HydrophobicContact CB-CD1 4.36Å; L273-I275 PolarHBondContact O-N 2.8Å; L273-I312 HydrophobicContact CD2-CB 4.32Å; L273-I312 HydrophobicContact CD2-CD1 3.79Å
274	D	93.4	Very high	80.9	Confident	11 Å²	11	41.2 Å²	41.2	6%	0.059	24%	0.235	C	C	.	.			trans	-93.3	70.3	178.1	-174.8	11.2	0	0	0	111.5	H272 F276 G277 Q278 S279 I311 I312 T313	H272-D274 PolarHBondContact O-N 2.85Å; H272-D274 VanDerWaalsContact O-N 3.08Å; D274-F276 PolarHBondContact O-N 3.25Å; D274-G277 VanDerWaalsContact CG-CA 3.48Å; D274-G277 PolarHBondContact O-N 2.98Å; D274-G277 WeakPolarHBondContact OD1-CA 3.46Å; D274-G277 PolarHBondContact OD1-N 3.24Å; D274-G277 WeakPolarHBondContact OD2-CA 3.31Å; D274-Q278 PolarHBondContact OD1-N 3.37Å; D274-Q278 PolarHBondContact OD2-N 2.77Å; D274-S279 WeakPolarHBondContact OD2-CB 3.48Å; D274-S279 PolarHBondContact OD2-N 2.93Å; D274-S279 PolarHBondContact OD2-OG 2.85Å; D274-S279 VanDerWaalsContact OD2-OG 3.11Å; D274-I311 HydrophobicContact CB-CG2 3.9Å; D274-I312 CarbonylContact C-O 3.49Å; D274-I312 PolarHBondContact N-O 2.79Å; D274-T313 WeakPolarHBondContact O-CG2 3.32Å
275	I	92.1	Very high	79.6	Confident	12 Å²	12	41.5 Å²	41.5	6%	0.062	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-31.4	-172.9	50.2	160.6	0	0	0	114.3	Y162 L199 L273 Y314	Y162-I275 HydrophobicContact CE1-CD1 3.78Å; L199-I275 HydrophobicContact CD1-CB 4.46Å; L199-I275 HydrophobicContact CD1-CD1 3.79Å; L199-I275 HydrophobicContact CD1-CG1 3.94Å; L199-I275 HydrophobicContact CD1-CG2 3.7Å; L273-I275 PolarHBondContact O-N 2.8Å; I275-Y314 HydrophobicContact CB-CD2 4.11Å; I275-Y314 HydrophobicContact CB-CE2 3.76Å; I275-Y314 HydrophobicContact CD1-CE2 3.93Å; I275-Y314 HydrophobicContact CG1-CE2 4.3Å; I275-Y314 WeakPolarHBondContact O-CD2 3.27Å; I275-Y314 PolarHBondContact O-N 3.46Å
276	F	90.4	Very high	78.4	Confident	26 Å²	26	47.8 Å²	47.8	11%	0.114	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	2	178.3	-68.1	-63.3	0	0	0	113.9	P49 D274 Q278 Y314 L345 V346 I349	P49-F276 HydrophobicContact CB-CZ 4.44Å; P49-F276 HydrophobicContact CG-CE2 4.23Å; P49-F276 HydrophobicContact CG-CZ 4.05Å; D274-F276 PolarHBondContact O-N 3.25Å; F276-Q278 VanDerWaalsContact C-N 3.34Å; F276-Q278 PolarHBondContact O-N 3.45Å; F276-Y314 HydrophobicContact CD1-CD2 4.3Å; F276-Y314 HydrophobicContact CD1-CE2 4.37Å; F276-Y314 HydrophobicContact CE1-CD2 4.24Å; F276-Y314 AromaticContact CE1-CE2 4Å; F276-Y314 HydrophobicContact CE1-CE2 4Å; F276-Y314 HydrophobicContact CZ-CE2 4.27Å; F276-L345 WeakPolarHBondContact O-CB 3.42Å; F276-V346 HydrophobicContact CB-CG2 4.03Å; F276-V346 HydrophobicContact CD1-CG2 4.12Å; F276-V346 HydrophobicContact CG-CG2 4.17Å; F276-I349 HydrophobicContact CE1-CD1 4.03Å; F276-I349 HydrophobicContact CE1-CG1 3.82Å; F276-I349 HydrophobicContact CZ-CD1 4.29Å; F276-I349 HydrophobicContact CZ-CG1 4.21Å
277	G	88.4	Confident	77.2	Confident	4 Å²	4	44.8 Å²	44.8	4%	0.041	28%	0.278	C	S	.	.			trans	62.3	36.1	176.9	0	0	0	0	0	113.5	D274 S279 L280 Q281	D274-G277 VanDerWaalsContact CG-CA 3.48Å; D274-G277 PolarHBondContact O-N 2.98Å; D274-G277 WeakPolarHBondContact OD1-CA 3.46Å; D274-G277 PolarHBondContact OD1-N 3.24Å; D274-G277 WeakPolarHBondContact OD2-CA 3.31Å; G277-S279 VanDerWaalsContact C-N 3.27Å; G277-S279 PolarHBondContact O-N 3.44Å; G277-L280 WeakPolarHBondContact O-CB 3.3Å; G277-L280 PolarHBondContact O-N 2.89Å; G277-Q281 WeakPolarHBondContact O-CG 3.4Å; G277-Q281 PolarHBondContact O-N 2.98Å
278	Q	85.6	Confident	76.4	Confident	105 Å²	105	43.8 Å²	43.8	49%	0.491	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-57.8	-38.3	176.8	-66	-174.6	0.3	0	0	112.3	P248 D274 F276 L280 Q281	P248-Q278 HydrophobicContact CG-CB 3.85Å; D274-Q278 PolarHBondContact OD1-N 3.37Å; D274-Q278 PolarHBondContact OD2-N 2.77Å; F276-Q278 VanDerWaalsContact C-N 3.34Å; F276-Q278 PolarHBondContact O-N 3.45Å; Q278-L280 PolarHBondContact O-N 2.86Å; Q278-Q281 PolarHBondContact O-N 3.39Å
279	S	84.8	Confident	76	Confident	14 Å²	14	47 Å²	47	10%	0.098	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-69.4	-14.9	177.7	76.9	0	0	0	0	113	D274 G277 P291	D274-S279 WeakPolarHBondContact OD2-CB 3.48Å; D274-S279 PolarHBondContact OD2-N 2.93Å; D274-S279 PolarHBondContact OD2-OG 2.85Å; D274-S279 VanDerWaalsContact OD2-OG 3.11Å; G277-S279 VanDerWaalsContact C-N 3.27Å; G277-S279 PolarHBondContact O-N 3.44Å; S279-P291 WeakPolarHBondContact O-CB 3.49Å
280	L	82.4	Confident	75.6	Confident	14 Å²	14	51.5 Å²	51.5	7%	0.073	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-98.1	-5.6	-178.4	-55.9	175.6	0	0	0	111.8	G277 Q278 R289 P291 I311 T313 W411	G277-L280 WeakPolarHBondContact O-CB 3.3Å; G277-L280 PolarHBondContact O-N 2.89Å; Q278-L280 PolarHBondContact O-N 2.86Å; L280-R289 HydrophobicContact CD2-CB 4.32Å; L280-R289 VanDerWaalsContact O-CD 3.3Å; L280-R289 WeakPolarHBondContact O-CD 3.39Å; L280-R289 PolarHBondContact O-NH1 2.79Å; L280-P291 HydrophobicContact CD2-CB 4.42Å; L280-P291 HydrophobicContact CD2-CG 4.4Å; L280-I311 HydrophobicContact CD2-CD1 4.05Å; L280-T313 HydrophobicContact CD1-CG2 3.82Å; L280-W411 HydrophobicContact CD1-CD2 3.73Å; L280-W411 HydrophobicContact CD1-CE3 4.11Å; L280-W411 HydrophobicContact CD1-CG 4.19Å; L280-W411 HydrophobicContact CD1-CH2 4.21Å; L280-W411 HydrophobicContact CD1-CZ2 3.82Å; L280-W411 HydrophobicContact CD1-CZ3 4.34Å; L280-W411 HydrophobicContact CD2-CE3 4.48Å
281	Q	67.7	Low	75.3	Confident	96 Å²	96	51.6 Å²	51.6	45%	0.449	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	124	177.5	-67.1	170.1	25.5	0	0	109.6	G277 Q278	G277-Q281 WeakPolarHBondContact O-CG 3.4Å; G277-Q281 PolarHBondContact O-N 2.98Å; Q278-Q281 PolarHBondContact O-N 3.39Å
282	G	48.9	Very low	74.9	Confident	82 Å²	82	52.2 Å²	52.2	85%	0.845	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	151.5	-17.7	-178.4	0	0	0	0	0	116.2
283	G	43.9	Very low	74.6	Confident	24 Å²	24	56.2 Å²	56.2	25%	0.247	33%	0.328	C	S	.	.			trans	-100.5	108.9	171.4	0	0	0	0	0	111.5	R289	G283-R289 PolarHBondContact O-NH1 3.31Å
284	Q	34.4	Very low	74.2	Confident	195 Å²	195	60.7 Å²	60.7	91%	0.911	34%	0.344	S	S	*	.			trans	-70.3	128.6	160	-79	-173.9	-11.6	0	0	108.8
285	G	48.8	Very low	73.8	Confident	55 Å²	55	63.2 Å²	63.2	57%	0.567	37%	0.373	S	S	*	.	S	Bend	trans	79.3	-159.4	175	0	0	0	0	0	114.9	A287	G285-A287 PolarHBondContact O-N 3.26Å
286	P	47.8	Very low	73.7	Confident	141 Å²	141	66.4 Å²	66.4	92%	0.916	39%	0.391	S	S	*	.	S	Bend	trans	-75.1	19.8	-173.3	32.7	-35.7	0	0	0	113.8
287	A	55	Low	73.6	Confident	46 Å²	46	68.8 Å²	68.8	38%	0.38	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-66.6	137.1	179.9	0	0	0	0	0	110.5	G285 R289	G285-A287 PolarHBondContact O-N 3.26Å; A287-R289 PolarHBondContact O-N 3.28Å
288	P	68.8	Low	73.8	Confident	72 Å²	72	73.3 Å²	73.3	47%	0.468	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-59.2	131.5	178.8	20.8	-30	0	0	0	111	R290 A419	P288-R290 PolarHBondContact O-N 3.32Å; P288-A419 HydrophobicContact CB-CB 3.46Å; P288-A419 VanDerWaalsContact CB-CB 3.46Å
289	R	82	Confident	74	Confident	81 Å²	81	69.7 Å²	69.7	31%	0.306	43%	0.426	S	S	.	.	B	Isolated β-bridge	trans	-73.6	116.6	179.8	-59.9	-69.9	-178.5	-176.3	-10	109.5	L280 G283 A287 P291 W411 A419 F420	L280-R289 HydrophobicContact CD2-CB 4.32Å; L280-R289 VanDerWaalsContact O-CD 3.3Å; L280-R289 WeakPolarHBondContact O-CD 3.39Å; L280-R289 PolarHBondContact O-NH1 2.79Å; G283-R289 PolarHBondContact O-NH1 3.31Å; A287-R289 PolarHBondContact O-N 3.28Å; R289-P291 WeakPolarHBondContact O-CD 3.31Å; R289-W411 HydrophobicContact CG-CZ3 4.19Å; R289-A419 WeakPolarHBondContact O-CA 3.23Å; R289-F420 PolarHBondContact O-N 3.5Å
290	R	87.9	Confident	74.3	Confident	96 Å²	96	74.8 Å²	74.8	36%	0.362	46%	0.457	S	S	.	.			trans	-121.3	79.2	-178.8	-67.2	176.5	178.9	175.5	3.1	110.7	P288 W292 E293	P288-R290 PolarHBondContact O-N 3.32Å; R290-W292 HydrophobicContact CB-CZ2 4.24Å; R290-W292 HydrophobicContact CG-CZ2 3.98Å; R290-W292 PolarHBondContact O-N 2.93Å; R290-W292 VanDerWaalsContact O-N 3.14Å; R290-E293 HydrophobicContact CB-CB 3.9Å; R290-E293 WeakPolarHBondContact CD-OE2 3.4Å; R290-E293 IonicContact NH1-OE1 3.02Å; R290-E293 PolarHBondContact NH1-OE1 3.47Å; R290-E293 VanDerWaalsContact NH1-OE1 3.1Å; R290-E293 IonicContact NH1-OE2 3.98Å; R290-E293 PolarHBondContact O-N 3.33Å; R290-E293 VanDerWaalsContact O-N 3.17Å
291	P	88.4	Confident	74.8	Confident	3 Å²	3	76.8 Å²	76.8	2%	0.019	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-20.7	-175.7	25.5	-34.6	0	0	0	113.9	S279 L280 R289 R294 F306 I311 F420	S279-P291 WeakPolarHBondContact O-CB 3.49Å; L280-P291 HydrophobicContact CD2-CB 4.42Å; L280-P291 HydrophobicContact CD2-CG 4.4Å; R289-P291 WeakPolarHBondContact O-CD 3.31Å; P291-R294 PolarHBondContact O-NH1 3.15Å; P291-F306 HydrophobicContact CB-CE1 4.23Å; P291-F306 HydrophobicContact CG-CD1 4.27Å; P291-F306 HydrophobicContact CG-CE1 4.19Å; P291-I311 HydrophobicContact CB-CD1 4Å; P291-I311 HydrophobicContact CG-CD1 3.7Å; P291-F420 HydrophobicContact CG-CB 4.35Å; P291-F420 HydrophobicContact CG-CD1 4.34Å; P291-F420 HydrophobicContact CG-CD2 3.4Å; P291-F420 VanDerWaalsContact CG-CD2 3.4Å; P291-F420 HydrophobicContact CG-CE2 3.65Å; P291-F420 HydrophobicContact CG-CG 3.76Å; P291-F420 HydrophobicContact CG-CZ 4.25Å
292	W	89.1	Confident	76	Confident	13 Å²	13	72.2 Å²	72.2	5%	0.049	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-16.8	179	50.6	-95.7	0	0	0	114.5	R252 R290 D299 A302 R303 F306 G418 F420	R252-W292 PolarHBondContact NE-O 2.83Å; R290-W292 HydrophobicContact CB-CZ2 4.24Å; R290-W292 HydrophobicContact CG-CZ2 3.98Å; R290-W292 PolarHBondContact O-N 2.93Å; R290-W292 VanDerWaalsContact O-N 3.14Å; W292-D299 HydrophobicContact CE3-CB 4.35Å; W292-D299 HydrophobicContact CZ3-CB 4.16Å; W292-A302 HydrophobicContact CB-CB 4.01Å; W292-R303 HydrophobicContact CD2-CB 3.91Å; W292-R303 HydrophobicContact CD2-CG 4.41Å; W292-R303 HydrophobicContact CE3-CB 3.81Å; W292-R303 HydrophobicContact CH2-CB 4.11Å; W292-R303 HydrophobicContact CH2-CG 4.19Å; W292-R303 HydrophobicContact CZ2-CB 4.18Å; W292-R303 HydrophobicContact CZ2-CG 3.95Å; W292-R303 HydrophobicContact CZ3-CB 3.92Å; W292-F306 HydrophobicContact CB-CB 4.3Å; W292-F306 HydrophobicContact CB-CD1 3.93Å; W292-F306 HydrophobicContact CB-CD2 3.77Å; W292-F306 HydrophobicContact CB-CE1 4.12Å; W292-F306 HydrophobicContact CB-CE2 3.96Å; W292-F306 HydrophobicContact CB-CG 3.74Å; W292-F306 HydrophobicContact CB-CZ 4.13Å; W292-F306 HydrophobicContact CG-CG 4.4Å; W292-G418 PolarHBondContact NE1-O 3.43Å; W292-F420 AromaticContact CD1-CE2 3.93Å
293	E	89.9	Confident	78	Confident	86 Å²	86	72.6 Å²	72.6	40%	0.402	43%	0.426	S	S	.	.			trans	-81.2	128.1	-174.3	-168.6	172	-128.4	0	0	110.3	R290	R290-E293 HydrophobicContact CB-CB 3.9Å; R290-E293 WeakPolarHBondContact CD-OE2 3.4Å; R290-E293 IonicContact NH1-OE1 3.02Å; R290-E293 PolarHBondContact NH1-OE1 3.47Å; R290-E293 VanDerWaalsContact NH1-OE1 3.1Å; R290-E293 IonicContact NH1-OE2 3.98Å; R290-E293 PolarHBondContact O-N 3.33Å; R290-E293 VanDerWaalsContact O-N 3.17Å
294	R	87.8	Confident	80.2	Confident	98 Å²	98	76.4 Å²	76.4	37%	0.37	44%	0.438	S	S	.	.			trans	-134.2	-16.4	176.2	-69.4	-65.6	-177.6	-76.5	-4.2	113.7	D249 P291 D296 D299	D249-R294 IonicContact OD1-CZ 3.95Å; D249-R294 IonicContact OD1-NE 3.24Å; D249-R294 PolarHBondContact OD1-NE 2.89Å; D249-R294 IonicContact OD1-NH2 3.02Å; D249-R294 PolarHBondContact OD1-NH2 3.45Å; P291-R294 PolarHBondContact O-NH1 3.15Å; R294-D296 HydrophobicContact CB-CB 4.43Å; R294-D299 PolarHBondContact N-OD1 3.02Å
295	G	86.8	Confident	83	Confident	65 Å²	65	67.5 Å²	67.5	67%	0.67	40%	0.397	S	S	*	.	S	Bend	trans	76.6	22.2	-177.8	0	0	0	0	0	113.7	D299	G295-D299 WeakPolarHBondContact CA-OD2 3.04Å; G295-D299 PolarHBondContact N-OD1 3.4Å; G295-D299 PolarHBondContact N-OD2 2.95Å
296	D	88.7	Confident	85.1	Confident	79 Å²	79	65 Å²	65	42%	0.422	37%	0.371	S	S	.	.	S	Bend	trans	-100.8	7.1	-171.3	68.1	-5.9	0	0	0	114.1	R252 R294 Q298	R252-D296 IonicContact CZ-OD1 2.84Å; R252-D296 IonicContact CZ-OD2 2.62Å; R252-D296 VanDerWaalsContact CZ-OD2 3.23Å; R252-D296 IonicContact NH1-OD1 2.77Å; R252-D296 IonicContact NH1-OD2 4Å; R252-D296 PolarHBondContact NH1-OD2 2.89Å; R252-D296 IonicContact NH2-OD1 3.25Å; R252-D296 PolarHBondContact NH2-OD1 3.29Å; R252-D296 IonicContact NH2-OD2 3.88Å; R252-D296 PolarHBondContact NH2-OD2 3.34Å; R294-D296 HydrophobicContact CB-CB 4.43Å; D296-Q298 VanDerWaalsContact C-N 3.31Å; D296-Q298 PolarHBondContact OD1-N 2.96Å
297	G	89.2	Confident	87.1	Confident	76 Å²	76	62.1 Å²	62.1	78%	0.784	35%	0.345	S	S	*	.	S	Bend	trans	84.6	-4.5	-177.5	0	0	0	0	0	114.9
298	Q	91.7	Very high	88.9	Confident	99 Å²	99	60.3 Å²	60.3	46%	0.463	33%	0.331	S	S	.	.			trans	-104.6	4	176.7	-59.9	-177.4	2.1	0	0	113.1	L256 D296 V300 S301 A302	L256-Q298 HydrophobicContact CD1-CB 4.48Å; L256-Q298 VanDerWaalsContact CD1-OE1 3.3Å; D296-Q298 VanDerWaalsContact C-N 3.31Å; D296-Q298 PolarHBondContact OD1-N 2.96Å; Q298-V300 VanDerWaalsContact C-N 3.25Å; Q298-V300 PolarHBondContact O-N 2.8Å; Q298-S301 PolarHBondContact O-N 3.06Å; Q298-S301 VanDerWaalsContact O-N 3.11Å; Q298-A302 WeakPolarHBondContact O-CB 3.48Å; Q298-A302 PolarHBondContact O-N 2.86Å
299	D	91	Very high	90.1	Very high	29 Å²	29	56.9 Å²	56.9	16%	0.155	31%	0.308	C	S	.	.	H	α-helix	trans	-60.4	-30.3	-174.2	-66.6	-34.7	0	0	0	114	R252 W292 R294 G295 A302 R303	R252-D299 IonicContact NH2-OD1 3Å; R252-D299 PolarHBondContact NH2-OD1 2.93Å; W292-D299 HydrophobicContact CE3-CB 4.35Å; W292-D299 HydrophobicContact CZ3-CB 4.16Å; R294-D299 PolarHBondContact N-OD1 3.02Å; G295-D299 WeakPolarHBondContact CA-OD2 3.04Å; G295-D299 PolarHBondContact N-OD1 3.4Å; G295-D299 PolarHBondContact N-OD2 2.95Å; D299-A302 PolarHBondContact O-N 2.88Å; D299-R303 VanDerWaalsContact O-CB 3.28Å; D299-R303 WeakPolarHBondContact O-CB 3.03Å; D299-R303 PolarHBondContact O-N 3.38Å
300	V	91	Very high	90.7	Very high	121 Å²	121	53.1 Å²	53.1	73%	0.733	29%	0.294	S	S	*	.	H	α-helix	trans	-66.2	-48.2	175.9	-179.9	0	0	0	0	110.4	Q298 R303 Q304	Q298-V300 VanDerWaalsContact C-N 3.25Å; Q298-V300 PolarHBondContact O-N 2.8Å; V300-R303 PolarHBondContact O-N 3.16Å; V300-Q304 PolarHBondContact O-N 2.72Å; V300-Q304 VanDerWaalsContact O-N 3.11Å
301	S	92.3	Very high	91.1	Very high	56 Å²	56	48.6 Å²	48.6	39%	0.392	28%	0.277	S	S	.	.	H	α-helix	trans	-64.7	-40.8	175	-57.1	0	0	0	0	111.3	L259 Q298 Q304 A305	L259-S301 WeakPolarHBondContact CD2-O 3.29Å; Q298-S301 PolarHBondContact O-N 3.06Å; Q298-S301 VanDerWaalsContact O-N 3.11Å; S301-Q304 PolarHBondContact O-N 3.11Å; S301-A305 WeakPolarHBondContact O-CB 3.35Å; S301-A305 PolarHBondContact O-N 2.97Å
302	A	92	Very high	91.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64.1	-43.1	178.1	0	0	0	0	0	111.3	L256 W292 Q298 D299 Q304 A305 F306	L256-A302 HydrophobicContact CD2-CB 3.97Å; L256-A302 HydrophobicContact CG-CB 4.46Å; W292-A302 HydrophobicContact CB-CB 4.01Å; Q298-A302 WeakPolarHBondContact O-CB 3.48Å; Q298-A302 PolarHBondContact O-N 2.86Å; D299-A302 PolarHBondContact O-N 2.88Å; A302-Q304 VanDerWaalsContact C-N 3.3Å; A302-Q304 PolarHBondContact O-N 3.27Å; A302-A305 PolarHBondContact O-N 3.43Å; A302-F306 WeakPolarHBondContact O-CB 3.26Å; A302-F306 WeakPolarHBondContact O-CD2 3.38Å; A302-F306 PolarHBondContact O-N 3.02Å
303	R	91.9	Very high	91.8	Very high	89 Å²	89	47.9 Å²	47.9	34%	0.336	27%	0.274	S	S	.	.	H	α-helix	trans	-58.2	-43.4	173.8	-178.9	-178.6	172.4	174.7	1	111.4	W292 D299 V300 P415 E416	W292-R303 HydrophobicContact CD2-CB 3.91Å; W292-R303 HydrophobicContact CD2-CG 4.41Å; W292-R303 HydrophobicContact CE3-CB 3.81Å; W292-R303 HydrophobicContact CH2-CB 4.11Å; W292-R303 HydrophobicContact CH2-CG 4.19Å; W292-R303 HydrophobicContact CZ2-CB 4.18Å; W292-R303 HydrophobicContact CZ2-CG 3.95Å; W292-R303 HydrophobicContact CZ3-CB 3.92Å; D299-R303 VanDerWaalsContact O-CB 3.28Å; D299-R303 WeakPolarHBondContact O-CB 3.03Å; D299-R303 PolarHBondContact O-N 3.38Å; V300-R303 PolarHBondContact O-N 3.16Å; R303-P415 PolarHBondContact NH2-O 2.97Å; R303-E416 PolarHBondContact NH2-O 3.43Å
304	Q	90.4	Very high	92	Very high	104 Å²	104	44.3 Å²	44.3	49%	0.486	26%	0.257	S	S	.	.	H	α-helix	trans	-65.8	-45.7	177.6	-175.3	177.4	-1.6	0	0	111.6	L259 V300 S301 A302 F306 Q307	L259-Q304 HydrophobicContact CD1-CG 4.12Å; L259-Q304 HydrophobicContact CD2-CB 4.1Å; L259-Q304 HydrophobicContact CD2-CG 4.19Å; V300-Q304 PolarHBondContact O-N 2.72Å; V300-Q304 VanDerWaalsContact O-N 3.11Å; S301-Q304 PolarHBondContact O-N 3.11Å; A302-Q304 VanDerWaalsContact C-N 3.3Å; A302-Q304 PolarHBondContact O-N 3.27Å; Q304-F306 VanDerWaalsContact C-N 3.31Å; Q304-F306 PolarHBondContact O-N 3.39Å; Q304-Q307 WeakPolarHBondContact O-CB 3.5Å; Q304-Q307 WeakPolarHBondContact O-CG 3.5Å; Q304-Q307 PolarHBondContact O-N 3.19Å
305	A	92.1	Very high	92.2	Very high	8 Å²	8	42.4 Å²	42.4	7%	0.066	25%	0.251	C	S	.	.	H	α-helix	trans	-60.7	-40.7	178.8	0	0	0	0	0	112.2	M255 L259 S301 A302 Q307 A308	M255-A305 HydrophobicContact CB-CB 3.97Å; M255-A305 WeakPolarHBondContact O-CB 3.39Å; L259-A305 HydrophobicContact CB-CB 3.94Å; L259-A305 HydrophobicContact CD2-CB 4.1Å; S301-A305 WeakPolarHBondContact O-CB 3.35Å; S301-A305 PolarHBondContact O-N 2.97Å; A302-A305 PolarHBondContact O-N 3.43Å; A305-Q307 PolarHBondContact O-N 3.43Å; A305-Q307 VanDerWaalsContact O-N 3.15Å; A305-A308 PolarHBondContact O-N 3.38Å
306	F	92.8	Very high	92.3	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.018	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-72.1	-4.1	-178.8	-84.4	-121.3	0	0	0	114.1	F251 R252 M255 P291 W292 A302 Q304 A308 A309 M413 F420	F251-F306 HydrophobicContact CD1-CE1 4.13Å; F251-F306 AromaticContact CD1-CZ 3.91Å; F251-F306 HydrophobicContact CD1-CZ 3.91Å; F251-F306 AromaticContact CE1-CE1 3.96Å; F251-F306 HydrophobicContact CE1-CE1 3.96Å; F251-F306 HydrophobicContact CE1-CZ 4.03Å; R252-F306 HydrophobicContact CB-CE2 4.26Å; R252-F306 HydrophobicContact CB-CZ 4.13Å; R252-F306 HydrophobicContact CG-CE2 4.12Å; R252-F306 HydrophobicContact CG-CZ 4.35Å; M255-F306 HydrophobicContact CB-CD2 3.98Å; M255-F306 HydrophobicContact CB-CE2 3.76Å; M255-F306 HydrophobicContact CG-CD2 4.05Å; M255-F306 HydrophobicContact CG-CE2 3.82Å; M255-F306 HydrophobicContact CG-CZ 4.35Å; P291-F306 HydrophobicContact CB-CE1 4.23Å; P291-F306 HydrophobicContact CG-CD1 4.27Å; P291-F306 HydrophobicContact CG-CE1 4.19Å; W292-F306 HydrophobicContact CB-CB 4.3Å; W292-F306 HydrophobicContact CB-CD1 3.93Å; W292-F306 HydrophobicContact CB-CD2 3.77Å; W292-F306 HydrophobicContact CB-CE1 4.12Å; W292-F306 HydrophobicContact CB-CE2 3.96Å; W292-F306 HydrophobicContact CB-CG 3.74Å; W292-F306 HydrophobicContact CB-CZ 4.13Å; W292-F306 HydrophobicContact CG-CG 4.4Å; A302-F306 WeakPolarHBondContact O-CB 3.26Å; A302-F306 WeakPolarHBondContact O-CD2 3.38Å; A302-F306 PolarHBondContact O-N 3.02Å; Q304-F306 VanDerWaalsContact C-N 3.31Å; Q304-F306 PolarHBondContact O-N 3.39Å; F306-A308 PolarHBondContact O-N 2.95Å; F306-A309 HydrophobicContact CB-CB 4.27Å; F306-A309 HydrophobicContact CD1-CB 4.16Å; F306-A309 HydrophobicContact CG-CB 4.2Å; F306-A309 PolarHBondContact O-N 3Å; F306-A309 VanDerWaalsContact O-N 3.09Å; F306-M413 HydrophobicContact CB-CE 3.41Å; F306-M413 VanDerWaalsContact CB-CE 3.41Å; F306-F420 HydrophobicContact CB-CE2 4.23Å; F306-F420 HydrophobicContact CB-CZ 4.16Å; F306-F420 AromaticContact CD1-CE2 3.95Å; F306-F420 HydrophobicContact CD1-CE2 3.95Å; F306-F420 AromaticContact CD1-CZ 3.8Å; F306-F420 HydrophobicContact CD1-CZ 3.8Å; F306-F420 HydrophobicContact CG-CZ 4.49Å
307	Q	90.8	Very high	92.4	Very high	79 Å²	79	41.3 Å²	41.3	37%	0.369	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-63.3	-26.8	168.1	-66	-179.7	-12.4	0	0	112.2	Q304 A305 M413	Q304-Q307 WeakPolarHBondContact O-CB 3.5Å; Q304-Q307 WeakPolarHBondContact O-CG 3.5Å; Q304-Q307 PolarHBondContact O-N 3.19Å; A305-Q307 PolarHBondContact O-N 3.43Å; A305-Q307 VanDerWaalsContact O-N 3.15Å; Q307-M413 HydrophobicContact CG-SD 4Å
308	A	92.1	Very high	92.2	Very high	9 Å²	9	44 Å²	44	7%	0.074	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-88.4	-5.8	174.5	0	0	0	0	0	113.1	G265 F270 A305 F306	G265-A308 VanDerWaalsContact CA-CB 3.43Å; F270-A308 HydrophobicContact CD2-CB 3.95Å; F270-A308 HydrophobicContact CE2-CB 4.32Å; F270-A308 PolarHBondContact N-O 3.15Å; A305-A308 PolarHBondContact O-N 3.38Å; F306-A308 PolarHBondContact O-N 2.95Å
309	A	94.3	Very high	92.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	142.4	-172.5	0	0	0	0	0	112.2	F251 M255 F270 F306	F251-A309 HydrophobicContact CE1-CB 3.98Å; F251-A309 HydrophobicContact CZ-CB 3.92Å; M255-A309 HydrophobicContact SD-CB 4.05Å; F270-A309 CarbonylContact O-C 3.59Å; F270-A309 VanDerWaalsContact O-CA 3.26Å; F270-A309 WeakPolarHBondContact O-CA 3.35Å; F306-A309 HydrophobicContact CB-CB 4.27Å; F306-A309 HydrophobicContact CD1-CB 4.16Å; F306-A309 HydrophobicContact CG-CB 4.2Å; F306-A309 PolarHBondContact O-N 3Å; F306-A309 VanDerWaalsContact O-N 3.09Å
310	K	95.4	Very high	92.3	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.009	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	148.2	171.2	-55.7	-171.2	-172.7	-61.3	0	108.7	V269 F270 F271 H272 L410 W411 D412 N442 W443	V269-K310 HydrophobicContact CG2-CD 4.29Å; V269-K310 HydrophobicContact CG2-CG 4.42Å; F270-K310 PolarHBondContact O-N 2.91Å; F271-K310 CarbonylContact C-O 3.34Å; F271-K310 VanDerWaalsContact CA-O 3.28Å; F271-K310 WeakPolarHBondContact CA-O 3.45Å; F271-K310 HydrophobicContact CD1-CB 3.72Å; F271-K310 HydrophobicContact CE1-CB 3.75Å; F271-K310 HydrophobicContact CE1-CD 3.82Å; F271-K310 HydrophobicContact CE1-CG 4.26Å; F271-K310 HydrophobicContact CZ-CD 4.17Å; H272-K310 PolarHBondContact N-O 3.14Å; K310-L410 HydrophobicContact CB-CD1 4.03Å; K310-L410 HydrophobicContact CD-CD2 4.49Å; K310-W411 WeakPolarHBondContact CA-O 2.93Å; K310-D412 IonicContact NZ-OD1 2.79Å; K310-D412 PolarHBondContact NZ-OD1 2.92Å; K310-D412 IonicContact NZ-OD2 3.48Å; K310-D412 PolarHBondContact NZ-OD2 2.86Å; K310-N442 PolarHBondContact NZ-O 2.97Å; K310-W443 HydrophobicContact CD-CH2 4.3Å
311	I	96.1	Very high	92.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.9	-175.1	-53.3	169.5	0	0	0	109.1	H272 D274 L280 P291 T313 W411 F420	H272-I311 HydrophobicContact CB-CG1 4.19Å; H272-I311 HydrophobicContact CB-CG2 4.41Å; D274-I311 HydrophobicContact CB-CG2 3.9Å; L280-I311 HydrophobicContact CD2-CD1 4.05Å; P291-I311 HydrophobicContact CB-CD1 4Å; P291-I311 HydrophobicContact CG-CD1 3.7Å; I311-T313 HydrophobicContact CG2-CG2 4.01Å; I311-W411 HydrophobicContact CB-CB 4.12Å; I311-W411 PolarHBondContact N-O 3.4Å; I311-W411 PolarHBondContact O-N 2.97Å; I311-F420 HydrophobicContact CD1-CD1 3.76Å; I311-F420 HydrophobicContact CD1-CE1 3.86Å; I311-F420 HydrophobicContact CD1-CG 4.36Å; I311-F420 HydrophobicContact CG1-CD1 4.14Å; I311-F420 HydrophobicContact CG1-CE1 3.97Å
312	I	96.8	Very high	92.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	122.7	178.5	-63.4	166.9	0	0	0	108.2	L165 F168 Y243 F271 H272 L273 D274 F408 L410	L165-I312 HydrophobicContact CD1-CG2 3.88Å; F168-I312 HydrophobicContact CD1-CG2 4.05Å; F168-I312 HydrophobicContact CE1-CB 4.33Å; F168-I312 HydrophobicContact CE1-CD1 3.76Å; F168-I312 HydrophobicContact CE1-CG1 3.83Å; F168-I312 HydrophobicContact CE1-CG2 3.54Å; F168-I312 HydrophobicContact CZ-CG1 4.43Å; F168-I312 HydrophobicContact CZ-CG2 4.4Å; Y243-I312 HydrophobicContact CD1-CD1 4.25Å; Y243-I312 HydrophobicContact CE1-CD1 3.96Å; F271-I312 HydrophobicContact CB-CD1 3.96Å; F271-I312 HydrophobicContact CD1-CD1 3.76Å; F271-I312 HydrophobicContact CD1-CG1 4.1Å; F271-I312 HydrophobicContact CG-CD1 4.11Å; H272-I312 PolarHBondContact O-N 3.02Å; L273-I312 HydrophobicContact CD2-CB 4.32Å; L273-I312 HydrophobicContact CD2-CD1 3.79Å; D274-I312 CarbonylContact C-O 3.49Å; D274-I312 PolarHBondContact N-O 2.79Å; I312-F408 HydrophobicContact CG2-CD1 4.35Å; I312-L410 HydrophobicContact CG1-CD1 3.73Å
313	T	95.4	Very high	92.4	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.012	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	165.1	178.7	74.5	0	0	0	0	110.6	D274 L280 I311 L345 F408 S409 W411	D274-T313 WeakPolarHBondContact O-CG2 3.32Å; L280-T313 HydrophobicContact CD1-CG2 3.82Å; I311-T313 HydrophobicContact CG2-CG2 4.01Å; T313-L345 HydrophobicContact CG2-CD1 4.36Å; T313-F408 WeakPolarHBondContact O-CA 2.98Å; T313-S409 PolarHBondContact N-O 3.5Å; T313-S409 PolarHBondContact O-N 2.85Å; T313-W411 PolarHBondContact OG1-NE1 3.01Å
314	Y	94.2	Very high	92.5	Very high	10 Å²	10	44.1 Å²	44.1	4%	0.039	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	149.6	158.5	-67	-48.9	0	0	0	110.3	P160 I275 F276 E316 L345 T406 F408	P160-Y314 HydrophobicContact CB-CD1 4.23Å; P160-Y314 HydrophobicContact CB-CE1 3.44Å; P160-Y314 VanDerWaalsContact CB-CE1 3.44Å; P160-Y314 HydrophobicContact CB-CE2 4Å; P160-Y314 VanDerWaalsContact CB-OH 3.26Å; P160-Y314 WeakPolarHBondContact CB-OH 3.41Å; P160-Y314 HydrophobicContact CG-CD1 4.24Å; P160-Y314 HydrophobicContact CG-CD2 4.28Å; P160-Y314 HydrophobicContact CG-CE1 3.88Å; P160-Y314 HydrophobicContact CG-CE2 3.88Å; P160-Y314 HydrophobicContact CG-CG 4.46Å; I275-Y314 HydrophobicContact CB-CD2 4.11Å; I275-Y314 HydrophobicContact CB-CE2 3.76Å; I275-Y314 HydrophobicContact CD1-CE2 3.93Å; I275-Y314 HydrophobicContact CG1-CE2 4.3Å; I275-Y314 WeakPolarHBondContact O-CD2 3.27Å; I275-Y314 PolarHBondContact O-N 3.46Å; F276-Y314 HydrophobicContact CD1-CD2 4.3Å; F276-Y314 HydrophobicContact CD1-CE2 4.37Å; F276-Y314 HydrophobicContact CE1-CD2 4.24Å; F276-Y314 AromaticContact CE1-CE2 4Å; F276-Y314 HydrophobicContact CE1-CE2 4Å; F276-Y314 HydrophobicContact CZ-CE2 4.27Å; Y314-E316 PolarHBondContact O-N 3.28Å; Y314-L345 WeakPolarHBondContact O-CD1 3.4Å; Y314-T406 HydrophobicContact CD1-CG2 3.66Å; Y314-T406 HydrophobicContact CE1-CG2 3.68Å; Y314-F408 AromaticContact CD1-CD1 3.91Å; Y314-F408 HydrophobicContact CD1-CD1 3.91Å; Y314-F408 AromaticContact CD1-CE1 3.49Å; Y314-F408 HydrophobicContact CD1-CE1 3.49Å; Y314-F408 VanDerWaalsContact CD1-CE1 3.49Å; Y314-F408 HydrophobicContact CD1-CZ 4.11Å; Y314-F408 HydrophobicContact CE1-CD1 4.26Å; Y314-F408 AromaticContact CE1-CE1 3.39Å; Y314-F408 HydrophobicContact CE1-CE1 3.39Å; Y314-F408 AromaticContact CE1-CZ 3.78Å; Y314-F408 HydrophobicContact CE1-CZ 3.78Å
315	K	92.3	Very high	92.8	Very high	58 Å²	58	39.5 Å²	39.5	25%	0.252	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-70.9	127.1	172.9	-175.7	-172.3	170.3	-158.8	0	109.1	P317 D318 D407 S409	K315-P317 WeakPolarHBondContact O-CD 3.48Å; K315-D318 IonicContact NZ-OD1 2.72Å; K315-D407 HydrophobicContact CB-CB 3.68Å; K315-D407 HydrophobicContact CD-CB 3.86Å; K315-D407 HydrophobicContact CG-CB 4.39Å; K315-D407 PolarHBondContact N-O 3.07Å; K315-S409 WeakPolarHBondContact CA-OG 3.06Å
316	E	87.9	Confident	92.8	Very high	104 Å²	104	39.8 Å²	39.8	49%	0.486	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-69.6	127.7	170.5	-165.5	165.3	-163.7	0	0	109.7	Y314 D318 Y322 L345	Y314-E316 PolarHBondContact O-N 3.28Å; E316-D318 PolarHBondContact O-N 2.85Å; E316-Y322 HydrophobicContact CG-CE1 4.48Å; E316-L345 HydrophobicContact CB-CD2 3.66Å; E316-L345 HydrophobicContact CG-CD2 4.01Å
317	P	90.7	Very high	92.9	Very high	18 Å²	18	45.6 Å²	45.6	12%	0.117	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-63.4	121.2	173.6	-20	31.7	0	0	0	110.6	K315 N319 Y322 T348 T393	K315-P317 WeakPolarHBondContact O-CD 3.48Å; P317-N319 WeakPolarHBondContact CB-OD1 3.4Å; P317-Y322 HydrophobicContact CB-CD1 3.82Å; P317-Y322 HydrophobicContact CB-CD2 4.08Å; P317-Y322 HydrophobicContact CB-CE1 4.28Å; P317-Y322 HydrophobicContact CB-CG 3.7Å; P317-Y322 HydrophobicContact CG-CD1 4.17Å; P317-Y322 HydrophobicContact CG-CD2 4.09Å; P317-Y322 HydrophobicContact CG-CE1 4.15Å; P317-Y322 HydrophobicContact CG-CE2 4.08Å; P317-Y322 HydrophobicContact CG-CG 4.14Å; P317-Y322 VanDerWaalsContact O-CD1 3.24Å; P317-Y322 WeakPolarHBondContact O-CD1 3.19Å; P317-T348 HydrophobicContact CG-CG2 4.26Å; P317-T393 HydrophobicContact CG-CG2 4.48Å
318	D	86.3	Confident	93.1	Very high	132 Å²	132	46 Å²	46	71%	0.706	23%	0.231	S	C	*	.			trans	-98.6	3.9	-175.5	56.9	-29	0	0	0	113.3	K315 E316	K315-D318 IonicContact NZ-OD1 2.72Å; E316-D318 PolarHBondContact O-N 2.85Å
319	N	91	Very high	93.2	Very high	23 Å²	23	45.5 Å²	45.5	12%	0.123	23%	0.227	C	C	.	.	S	Bend	trans	-78.1	145.9	-179.9	65.5	-77.7	0	0	0	112	P317 E321 Y322 V392 G394	P317-N319 WeakPolarHBondContact CB-OD1 3.4Å; N319-E321 WeakPolarHBondContact CB-OE2 3.36Å; N319-E321 PolarHBondContact ND2-OE2 3.28Å; N319-E321 PolarHBondContact O-N 3.07Å; N319-Y322 PolarHBondContact ND2-N 3.25Å; N319-Y322 WeakPolarHBondContact O-CB 3.34Å; N319-Y322 PolarHBondContact O-N 2.73Å; N319-Y322 VanDerWaalsContact O-N 3.1Å; N319-V392 PolarHBondContact ND2-O 2.92Å; N319-G394 PolarHBondContact OD1-N 3.12Å
320	P	92.3	Very high	93.2	Very high	91 Å²	91	48.7 Å²	48.7	59%	0.591	24%	0.241	S	C	*	.	H	α-helix	trans	-63.8	-28.6	-173.5	25.4	-34.5	0	0	0	113.4	Y322 L323 E324	P320-Y322 VanDerWaalsContact C-N 3.27Å; P320-Y322 PolarHBondContact O-N 2.91Å; P320-L323 PolarHBondContact O-N 3.14Å; P320-E324 PolarHBondContact O-N 3.43Å
321	E	93.4	Very high	93.2	Very high	91 Å²	91	53.9 Å²	53.9	43%	0.425	27%	0.265	S	S	.	.	H	α-helix	trans	-65	-32	177.6	-55.3	78.4	-174.4	0	0	111.9	N319 F325	N319-E321 WeakPolarHBondContact CB-OE2 3.36Å; N319-E321 PolarHBondContact ND2-OE2 3.28Å; N319-E321 PolarHBondContact O-N 3.07Å; E321-F325 VanDerWaalsContact O-CB 3.3Å; E321-F325 WeakPolarHBondContact O-CB 3.19Å; E321-F325 PolarHBondContact O-N 3.02Å
322	Y	93.7	Very high	93.1	Very high	1 Å²	1	55 Å²	55	0%	0.004	27%	0.27	C	S	.	.	H	α-helix	trans	-67.3	-43.9	177.5	-174.9	-115.8	0	0	0	111.4	E316 P317 N319 P320 E324 F325 L326 T348 A351 V392 T393	E316-Y322 HydrophobicContact CG-CE1 4.48Å; P317-Y322 HydrophobicContact CB-CD1 3.82Å; P317-Y322 HydrophobicContact CB-CD2 4.08Å; P317-Y322 HydrophobicContact CB-CE1 4.28Å; P317-Y322 HydrophobicContact CB-CG 3.7Å; P317-Y322 HydrophobicContact CG-CD1 4.17Å; P317-Y322 HydrophobicContact CG-CD2 4.09Å; P317-Y322 HydrophobicContact CG-CE1 4.15Å; P317-Y322 HydrophobicContact CG-CE2 4.08Å; P317-Y322 HydrophobicContact CG-CG 4.14Å; P317-Y322 VanDerWaalsContact O-CD1 3.24Å; P317-Y322 WeakPolarHBondContact O-CD1 3.19Å; N319-Y322 PolarHBondContact ND2-N 3.25Å; N319-Y322 WeakPolarHBondContact O-CB 3.34Å; N319-Y322 PolarHBondContact O-N 2.73Å; N319-Y322 VanDerWaalsContact O-N 3.1Å; P320-Y322 VanDerWaalsContact C-N 3.27Å; P320-Y322 PolarHBondContact O-N 2.91Å; Y322-E324 VanDerWaalsContact C-N 3.31Å; Y322-E324 PolarHBondContact O-N 2.77Å; Y322-F325 HydrophobicContact CD2-CD1 4.43Å; Y322-F325 HydrophobicContact CE2-CD1 4.5Å; Y322-F325 WeakPolarHBondContact O-CB 3.19Å; Y322-F325 PolarHBondContact O-N 2.82Å; Y322-L326 HydrophobicContact CD1-CD1 4.01Å; Y322-L326 HydrophobicContact CD1-CG 4.4Å; Y322-L326 HydrophobicContact CE1-CD1 3.58Å; Y322-L326 HydrophobicContact CE1-CD2 4.47Å; Y322-L326 HydrophobicContact CE1-CG 4.1Å; Y322-L326 HydrophobicContact CE2-CD2 4.32Å; Y322-L326 HydrophobicContact CE2-CG 4.4Å; Y322-L326 WeakPolarHBondContact O-CG 3.42Å; Y322-L326 PolarHBondContact O-N 3.46Å; Y322-T348 PolarHBondContact OH-N 3.42Å; Y322-A351 HydrophobicContact CD2-CB 4.4Å; Y322-A351 HydrophobicContact CE2-CB 3.85Å; Y322-V392 WeakPolarHBondContact CA-O 2.97Å; Y322-V392 VanDerWaalsContact CB-O 3.31Å; Y322-V392 WeakPolarHBondContact CB-O 3.33Å; Y322-V392 PolarHBondContact N-O 3.27Å; Y322-T393 HydrophobicContact CD2-CG2 4.49Å; Y322-T393 HydrophobicContact CE2-CG2 4.49Å
323	L	91.6	Very high	93	Very high	103 Å²	103	55 Å²	55	54%	0.539	27%	0.27	S	S	.	.	H	α-helix	trans	-62.5	-39.5	177.7	-66.5	175.6	0	0	0	112	P320 L326 K327	P320-L323 PolarHBondContact O-N 3.14Å; L323-L326 PolarHBondContact O-N 2.91Å; L323-K327 WeakPolarHBondContact O-CG 3.27Å; L323-K327 PolarHBondContact O-N 3.03Å
324	E	93.9	Very high	92.9	Very high	88 Å²	88	63.5 Å²	63.5	41%	0.411	30%	0.302	S	S	.	.	H	α-helix	trans	-70.2	-40.4	176.6	-168.2	55.4	-152	0	0	111.7	P320 Y322 L326 K327 Q328	P320-E324 PolarHBondContact O-N 3.43Å; Y322-E324 VanDerWaalsContact C-N 3.31Å; Y322-E324 PolarHBondContact O-N 2.77Å; E324-L326 VanDerWaalsContact C-N 3.35Å; E324-L326 PolarHBondContact O-N 3.38Å; E324-K327 PolarHBondContact O-N 3.34Å; E324-K327 IonicContact OE2-NZ 3.11Å; E324-K327 PolarHBondContact OE2-NZ 3.39Å; E324-Q328 WeakPolarHBondContact O-CG 3.19Å; E324-Q328 PolarHBondContact O-N 3.5Å; E324-Q328 VanDerWaalsContact O-N 3.16Å
325	F	95.1	Very high	92.8	Very high	6 Å²	6	69.1 Å²	69.1	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-57.7	-44.7	172.3	168.6	-96.1	0	0	0	112	A58 L61 E321 Y322 K327 Q328 L329 A351 H354 V392	A58-F325 HydrophobicContact CB-CE2 4.22Å; A58-F325 HydrophobicContact CB-CZ 3.87Å; L61-F325 HydrophobicContact CD1-CD2 4.06Å; L61-F325 HydrophobicContact CD1-CE2 3.91Å; E321-F325 VanDerWaalsContact O-CB 3.3Å; E321-F325 WeakPolarHBondContact O-CB 3.19Å; E321-F325 PolarHBondContact O-N 3.02Å; Y322-F325 HydrophobicContact CD2-CD1 4.43Å; Y322-F325 HydrophobicContact CE2-CD1 4.5Å; Y322-F325 WeakPolarHBondContact O-CB 3.19Å; Y322-F325 PolarHBondContact O-N 2.82Å; F325-K327 VanDerWaalsContact C-N 3.33Å; F325-K327 PolarHBondContact O-N 3.2Å; F325-Q328 PolarHBondContact O-N 3.33Å; F325-L329 HydrophobicContact CE1-CB 4.36Å; F325-L329 HydrophobicContact CE1-CD2 3.95Å; F325-L329 HydrophobicContact CZ-CB 4.41Å; F325-L329 HydrophobicContact CZ-CD1 3.99Å; F325-L329 HydrophobicContact CZ-CD2 4.24Å; F325-L329 HydrophobicContact CZ-CG 4.46Å; F325-L329 VanDerWaalsContact O-CB 3.27Å; F325-L329 WeakPolarHBondContact O-CB 3.31Å; F325-L329 PolarHBondContact O-N 3.35Å; F325-A351 HydrophobicContact CD1-CB 4.11Å; F325-A351 HydrophobicContact CE1-CB 3.51Å; F325-A351 HydrophobicContact CZ-CB 4.04Å; F325-H354 HydrophobicContact CE2-CB 4.19Å; F325-H354 HydrophobicContact CZ-CB 4.49Å; F325-V392 HydrophobicContact CB-CB 4Å; F325-V392 HydrophobicContact CB-CG1 4.12Å; F325-V392 HydrophobicContact CB-CG2 4.34Å; F325-V392 HydrophobicContact CD1-CG2 4.15Å; F325-V392 HydrophobicContact CD2-CB 4.35Å; F325-V392 HydrophobicContact CD2-CG1 4.16Å; F325-V392 HydrophobicContact CD2-CG2 3.98Å; F325-V392 HydrophobicContact CE2-CG2 4.33Å; F325-V392 HydrophobicContact CG-CB 4.1Å; F325-V392 HydrophobicContact CG-CG1 4.3Å; F325-V392 HydrophobicContact CG-CG2 3.88Å
326	L	93.7	Very high	92.8	Very high	14 Å²	14	71.8 Å²	71.8	7%	0.073	34%	0.343	C	S	.	.	H	α-helix	trans	-61.3	-38.7	179.1	-73.3	179.9	0	0	0	112.8	Y322 L323 E324 L329 K330 N347	Y322-L326 HydrophobicContact CD1-CD1 4.01Å; Y322-L326 HydrophobicContact CD1-CG 4.4Å; Y322-L326 HydrophobicContact CE1-CD1 3.58Å; Y322-L326 HydrophobicContact CE1-CD2 4.47Å; Y322-L326 HydrophobicContact CE1-CG 4.1Å; Y322-L326 HydrophobicContact CE2-CD2 4.32Å; Y322-L326 HydrophobicContact CE2-CG 4.4Å; Y322-L326 WeakPolarHBondContact O-CG 3.42Å; Y322-L326 PolarHBondContact O-N 3.46Å; L323-L326 PolarHBondContact O-N 2.91Å; E324-L326 VanDerWaalsContact C-N 3.35Å; E324-L326 PolarHBondContact O-N 3.38Å; L326-L329 HydrophobicContact CD2-CD2 4.42Å; L326-L329 PolarHBondContact O-N 3.48Å; L326-K330 WeakPolarHBondContact O-CB 3.3Å; L326-K330 VanDerWaalsContact O-CG 3.29Å; L326-K330 WeakPolarHBondContact O-CG 3.3Å; L326-K330 PolarHBondContact O-N 3.49Å; L326-N347 HydrophobicContact CD2-CB 3.58Å
327	K	93.8	Very high	92.9	Very high	127 Å²	127	69 Å²	69	55%	0.552	33%	0.329	S	S	*	.	H	α-helix	trans	-62.9	-46.8	175.1	-66.9	174.5	-161.2	158.2	0	111.2	L323 E324 F325 K330 H331	L323-K327 WeakPolarHBondContact O-CG 3.27Å; L323-K327 PolarHBondContact O-N 3.03Å; E324-K327 PolarHBondContact O-N 3.34Å; E324-K327 IonicContact OE2-NZ 3.11Å; E324-K327 PolarHBondContact OE2-NZ 3.39Å; F325-K327 VanDerWaalsContact C-N 3.33Å; F325-K327 PolarHBondContact O-N 3.2Å; K327-K330 PolarHBondContact O-N 3.24Å; K327-H331 WeakPolarHBondContact O-CB 3.34Å; K327-H331 PolarHBondContact O-N 2.79Å
328	Q	95	Very high	93	Very high	86 Å²	86	75.7 Å²	75.7	40%	0.402	36%	0.364	S	S	.	.	H	α-helix	trans	-64.5	-41.7	178.7	-67.7	177.3	-0.5	0	0	111.4	L61 E324 F325 H331 L332	L61-Q328 HydrophobicContact CD1-CB 3.88Å; L61-Q328 HydrophobicContact CD2-CB 4.08Å; E324-Q328 WeakPolarHBondContact O-CG 3.19Å; E324-Q328 PolarHBondContact O-N 3.5Å; E324-Q328 VanDerWaalsContact O-N 3.16Å; F325-Q328 PolarHBondContact O-N 3.33Å; Q328-H331 PolarHBondContact O-N 2.82Å; Q328-L332 VanDerWaalsContact O-CB 3.32Å; Q328-L332 WeakPolarHBondContact O-CB 3.48Å; Q328-L332 PolarHBondContact O-N 3.26Å
329	L	94.6	Very high	93.3	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-59.3	-50.2	176.9	-175.1	74	0	0	0	111.3	P57 A58 F325 L326 H331 L332 A333 V341 P350	P57-L329 HydrophobicContact CB-CD1 4.11Å; A58-L329 HydrophobicContact CB-CD1 3.84Å; F325-L329 HydrophobicContact CE1-CB 4.36Å; F325-L329 HydrophobicContact CE1-CD2 3.95Å; F325-L329 HydrophobicContact CZ-CB 4.41Å; F325-L329 HydrophobicContact CZ-CD1 3.99Å; F325-L329 HydrophobicContact CZ-CD2 4.24Å; F325-L329 HydrophobicContact CZ-CG 4.46Å; F325-L329 VanDerWaalsContact O-CB 3.27Å; F325-L329 WeakPolarHBondContact O-CB 3.31Å; F325-L329 PolarHBondContact O-N 3.35Å; L326-L329 HydrophobicContact CD2-CD2 4.42Å; L326-L329 PolarHBondContact O-N 3.48Å; L329-H331 VanDerWaalsContact C-N 3.35Å; L329-H331 PolarHBondContact O-N 3.11Å; L329-L332 PolarHBondContact O-N 3.18Å; L329-A333 WeakPolarHBondContact O-CB 3.33Å; L329-A333 PolarHBondContact O-N 2.87Å; L329-V341 HydrophobicContact CD2-CG1 4.27Å; L329-P350 HydrophobicContact CD2-CG 4.2Å
330	K	94.3	Very high	93.4	Very high	66 Å²	66	73.7 Å²	73.7	29%	0.287	36%	0.355	S	S	.	.	H	α-helix	trans	-60.6	-43.1	177.9	-75.6	175.5	179.5	-171.2	0	112.4	L326 K327 R334 V341 D343	L326-K330 WeakPolarHBondContact O-CB 3.3Å; L326-K330 VanDerWaalsContact O-CG 3.29Å; L326-K330 WeakPolarHBondContact O-CG 3.3Å; L326-K330 PolarHBondContact O-N 3.49Å; K327-K330 PolarHBondContact O-N 3.24Å; K330-R334 WeakPolarHBondContact O-CB 3.38Å; K330-R334 PolarHBondContact O-N 2.81Å; K330-V341 WeakPolarHBondContact CE-O 3.28Å; K330-V341 HydrophobicContact CG-CB 3.97Å; K330-V341 HydrophobicContact CG-CG1 4.39Å; K330-D343 VanDerWaalsContact CE-OD1 3.23Å; K330-D343 WeakPolarHBondContact CE-OD1 3.34Å; K330-D343 IonicContact NZ-OD1 3.81Å; K330-D343 PolarHBondContact NZ-OD1 3.38Å; K330-D343 IonicContact NZ-OD2 3.35Å; K330-D343 PolarHBondContact NZ-OD2 2.91Å
331	H	94.6	Very high	93.2	Very high	112 Å²	112	69.7 Å²	69.7	52%	0.519	33%	0.328	S	S	.	.	H	α-helix	trans	-62.5	-52.6	178.6	-172.3	-80.2	0	0	0	110.9	K327 Q328 L329 R334 E335	K327-H331 WeakPolarHBondContact O-CB 3.34Å; K327-H331 PolarHBondContact O-N 2.79Å; Q328-H331 PolarHBondContact O-N 2.82Å; L329-H331 VanDerWaalsContact C-N 3.35Å; L329-H331 PolarHBondContact O-N 3.11Å; H331-R334 PolarHBondContact O-N 3.46Å; H331-E335 IonicContact CE1-OE1 2.88Å; H331-E335 PolarHBondContact CE1-OE1 3.42Å; H331-E335 IonicContact CE1-OE2 3.44Å; H331-E335 PolarHBondContact CE1-OE2 3.03Å; H331-E335 IonicContact ND1-OE1 2.75Å; H331-E335 IonicContact ND1-OE2 3.38Å; H331-E335 PolarHBondContact ND1-OE2 2.9Å; H331-E335 IonicContact NE2-OE1 2.71Å; H331-E335 WeakPolarHBondContact O-CG 3.41Å; H331-E335 PolarHBondContact O-N 2.97Å
332	L	94.6	Very high	92.9	Very high	22 Å²	22	72 Å²	72	12%	0.115	34%	0.339	C	S	.	.	H	α-helix	trans	-68.2	-39.9	-175.8	-167.3	66.3	0	0	0	112.4	P57 E60 L61 Q328 L329 R334 E335 Q336	P57-L332 HydrophobicContact CB-CB 4Å; P57-L332 HydrophobicContact CB-CD2 3.77Å; P57-L332 HydrophobicContact CB-CG 3.9Å; P57-L332 WeakPolarHBondContact O-CD2 3.33Å; E60-L332 HydrophobicContact CB-CD2 4.01Å; L61-L332 HydrophobicContact CD2-CD2 4.16Å; L61-L332 HydrophobicContact CG-CD2 3.97Å; Q328-L332 VanDerWaalsContact O-CB 3.32Å; Q328-L332 WeakPolarHBondContact O-CB 3.48Å; Q328-L332 PolarHBondContact O-N 3.26Å; L329-L332 PolarHBondContact O-N 3.18Å; L332-R334 VanDerWaalsContact C-N 3.3Å; L332-R334 PolarHBondContact O-N 3.37Å; L332-E335 PolarHBondContact O-N 3.35Å; L332-Q336 VanDerWaalsContact CD1-CD 3.45Å; L332-Q336 HydrophobicContact CD1-CG 3.93Å; L332-Q336 VanDerWaalsContact CD1-NE2 3.28Å; L332-Q336 PolarHBondContact O-N 2.65Å
333	A	93.8	Very high	92.4	Very high	0 Å²	0	76.9 Å²	76.9	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-61	-39	175.2	0	0	0	0	0	112.2	P57 L329 F337 N338 F339 V341	P57-A333 HydrophobicContact CB-CB 4.45Å; P57-A333 HydrophobicContact CG-CB 3.78Å; L329-A333 WeakPolarHBondContact O-CB 3.33Å; L329-A333 PolarHBondContact O-N 2.87Å; A333-F337 CarbonylContact O-C 3.5Å; A333-F337 VanDerWaalsContact O-C 3.26Å; A333-F337 WeakPolarHBondContact O-CA 2.93Å; A333-F337 WeakPolarHBondContact O-CB 3.43Å; A333-F337 PolarHBondContact O-N 3.25Å; A333-F337 VanDerWaalsContact O-N 3.16Å; A333-N338 PolarHBondContact O-N 3.06Å; A333-F339 CarbonylContact C-O 3.56Å; A333-F339 VanDerWaalsContact C-O 3.24Å; A333-F339 PolarHBondContact O-N 3.4Å; A333-V341 HydrophobicContact CB-CG2 3.61Å
334	R	93.6	Very high	92.1	Very high	181 Å²	181	72.8 Å²	72.8	68%	0.683	35%	0.348	S	S	*	.	H	α-helix	trans	-71.2	-42.7	178	-172.2	174.2	-177.8	158.2	1.7	112.2	K330 H331 L332 F339	K330-R334 WeakPolarHBondContact O-CB 3.38Å; K330-R334 PolarHBondContact O-N 2.81Å; H331-R334 PolarHBondContact O-N 3.46Å; L332-R334 VanDerWaalsContact C-N 3.3Å; L332-R334 PolarHBondContact O-N 3.37Å; R334-F339 WeakPolarHBondContact CA-O 3.41Å; R334-F339 PolarHBondContact N-O 3.12Å
335	E	93.6	Very high	91.9	Very high	128 Å²	128	69.3 Å²	69.3	60%	0.598	33%	0.332	S	S	*	.	H	α-helix	trans	-76.3	-45	-175.9	-73	-170.3	153	0	0	113.7	H331 L332	H331-E335 IonicContact CE1-OE1 2.88Å; H331-E335 PolarHBondContact CE1-OE1 3.42Å; H331-E335 IonicContact CE1-OE2 3.44Å; H331-E335 PolarHBondContact CE1-OE2 3.03Å; H331-E335 IonicContact ND1-OE1 2.75Å; H331-E335 IonicContact ND1-OE2 3.38Å; H331-E335 PolarHBondContact ND1-OE2 2.9Å; H331-E335 IonicContact NE2-OE1 2.71Å; H331-E335 WeakPolarHBondContact O-CG 3.41Å; H331-E335 PolarHBondContact O-N 2.97Å; L332-E335 PolarHBondContact O-N 3.35Å
336	Q	91.8	Very high	91.6	Very high	115 Å²	115	70.3 Å²	70.3	54%	0.537	34%	0.339	S	S	.	.	H	α-helix	trans	-105.2	-23.3	-169.9	-61.5	-168.9	17.3	0	0	113.6	E60 L332	E60-Q336 PolarHBondContact OE2-OE1 2.76Å; L332-Q336 VanDerWaalsContact CD1-CD 3.45Å; L332-Q336 HydrophobicContact CD1-CG 3.93Å; L332-Q336 VanDerWaalsContact CD1-NE2 3.28Å; L332-Q336 PolarHBondContact O-N 2.65Å
337	F	89.9	Confident	91.5	Very high	46 Å²	46	69.8 Å²	69.8	20%	0.202	34%	0.336	C	S	.	.	S	Bend	trans	-116.9	3.1	-174.9	-62	-98.8	0	0	0	113.3	W52 P57 A333 F339	W52-F337 AromaticContact NE1-CE1 3.67Å; P57-F337 HydrophobicContact CB-CD2 4.07Å; P57-F337 HydrophobicContact CB-CE2 3.97Å; P57-F337 HydrophobicContact CG-CD2 3.52Å; P57-F337 HydrophobicContact CG-CE2 3.77Å; P57-F337 HydrophobicContact CG-CG 3.95Å; P57-F337 HydrophobicContact CG-CZ 4.38Å; A333-F337 CarbonylContact O-C 3.5Å; A333-F337 VanDerWaalsContact O-C 3.26Å; A333-F337 WeakPolarHBondContact O-CA 2.93Å; A333-F337 WeakPolarHBondContact O-CB 3.43Å; A333-F337 PolarHBondContact O-N 3.25Å; A333-F337 VanDerWaalsContact O-N 3.16Å; F337-F339 PolarHBondContact O-N 3.17Å
338	N	92.8	Very high	91.4	Very high	158 Å²	158	64.2 Å²	64.2	85%	0.845	31%	0.312	S	S	*	.			trans	48.5	40.4	-179.5	-165.8	35.3	0	0	0	113.6	A333	A333-N338 PolarHBondContact O-N 3.06Å
339	F	92.4	Very high	91.4	Very high	30 Å²	30	60.3 Å²	60.3	13%	0.132	29%	0.294	C	S	.	.			trans	-131.3	135.9	-175.5	-177.8	-104.2	0	0	0	111.9	T46 A53 R54 A333 R334 F337 V341	T46-F339 HydrophobicContact CG2-CD2 3.98Å; T46-F339 HydrophobicContact CG2-CE2 4.23Å; A53-F339 HydrophobicContact CB-CB 3.85Å; A53-F339 HydrophobicContact CB-CD1 4.06Å; A53-F339 HydrophobicContact CB-CD2 4.17Å; A53-F339 HydrophobicContact CB-CG 3.74Å; R54-F339 HydrophobicContact CG-CD1 4.22Å; R54-F339 HydrophobicContact CG-CE1 3.65Å; R54-F339 HydrophobicContact CG-CZ 4.44Å; A333-F339 CarbonylContact C-O 3.56Å; A333-F339 VanDerWaalsContact C-O 3.24Å; A333-F339 PolarHBondContact O-N 3.4Å; R334-F339 WeakPolarHBondContact CA-O 3.41Å; R334-F339 PolarHBondContact N-O 3.12Å; F337-F339 PolarHBondContact O-N 3.17Å; F339-V341 HydrophobicContact CD1-CG2 3.75Å; F339-V341 HydrophobicContact CE1-CB 4.5Å; F339-V341 HydrophobicContact CE1-CG2 3.83Å
340	T	92.2	Very high	91.5	Very high	83 Å²	83	60.3 Å²	60.3	51%	0.509	29%	0.294	S	S	.	.			trans	-95.8	114.8	176.7	-54.7	0	0	0	0	109.7	E342	T340-E342 PolarHBondContact O-N 3.28Å
341	V	88.7	Confident	91.6	Very high	6 Å²	6	57.1 Å²	57.1	4%	0.036	28%	0.281	C	S	.	.			trans	-86.4	111.3	177.1	-179.3	0	0	0	0	109.5	L329 K330 A333 F339 N347	L329-V341 HydrophobicContact CD2-CG1 4.27Å; K330-V341 WeakPolarHBondContact CE-O 3.28Å; K330-V341 HydrophobicContact CG-CB 3.97Å; K330-V341 HydrophobicContact CG-CG1 4.39Å; A333-V341 HydrophobicContact CB-CG2 3.61Å; F339-V341 HydrophobicContact CD1-CG2 3.75Å; F339-V341 HydrophobicContact CE1-CB 4.5Å; F339-V341 HydrophobicContact CE1-CG2 3.83Å; V341-N347 WeakPolarHBondContact CG1-OD1 3.32Å
342	E	87.2	Confident	91.7	Very high	140 Å²	140	52 Å²	52	65%	0.654	26%	0.257	S	S	*	.			trans	-73.1	156.1	172.9	-62.9	-57.4	147.9	0	0	111.9	T340 N347	T340-E342 PolarHBondContact O-N 3.28Å; E342-N347 PolarHBondContact O-ND2 2.88Å
343	D	83.4	Confident	91.8	Very high	104 Å²	104	51 Å²	51	56%	0.556	25%	0.252	S	S	*	.	S	Bend	trans	-74.3	133.8	173.3	-75.8	-46.1	0	0	0	111.7	K330	K330-D343 VanDerWaalsContact CE-OD1 3.23Å; K330-D343 WeakPolarHBondContact CE-OD1 3.34Å; K330-D343 IonicContact NZ-OD1 3.81Å; K330-D343 PolarHBondContact NZ-OD1 3.38Å; K330-D343 IonicContact NZ-OD2 3.35Å; K330-D343 PolarHBondContact NZ-OD2 2.91Å
344	G	85.6	Confident	92	Very high	16 Å²	16	51.2 Å²	51.2	17%	0.165	25%	0.253	C	S	.	.	S	Bend	trans	167.4	169.1	176.4	0	0	0	0	0	112.5	V346 N347	G344-V346 PolarHBondContact O-N 3.06Å; G344-V346 VanDerWaalsContact O-N 3.13Å; G344-N347 WeakPolarHBondContact O-CB 3.43Å; G344-N347 PolarHBondContact O-N 3.14Å; G344-N347 VanDerWaalsContact O-N 3.12Å; G344-N347 PolarHBondContact O-ND2 3.44Å
345	L	89.4	Confident	92.1	Very high	15 Å²	15	42.7 Å²	42.7	8%	0.079	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-64.5	-17.2	179.1	-66.3	172.8	0	0	0	112.9	F276 T313 Y314 E316 N347 T348	F276-L345 WeakPolarHBondContact O-CB 3.42Å; T313-L345 HydrophobicContact CG2-CD1 4.36Å; Y314-L345 WeakPolarHBondContact O-CD1 3.4Å; E316-L345 HydrophobicContact CB-CD2 3.66Å; E316-L345 HydrophobicContact CG-CD2 4.01Å; L345-N347 PolarHBondContact O-N 3.33Å; L345-N347 VanDerWaalsContact O-N 3.15Å; L345-T348 WeakPolarHBondContact O-CB 3.32Å; L345-T348 VanDerWaalsContact O-CG2 3.31Å; L345-T348 WeakPolarHBondContact O-CG2 3.46Å; L345-T348 PolarHBondContact O-N 2.95Å; L345-T348 PolarHBondContact O-OG1 3.14Å
346	V	89.1	Confident	92.2	Very high	28 Å²	28	36.7 Å²	36.7	17%	0.17	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-54	-31.9	172.2	179.9	0	0	0	0	111.5	P49 F276 G344 T348 I349 P350	P49-V346 HydrophobicContact CB-CG1 3.71Å; P49-V346 HydrophobicContact CG-CG1 4.01Å; F276-V346 HydrophobicContact CB-CG2 4.03Å; F276-V346 HydrophobicContact CD1-CG2 4.12Å; F276-V346 HydrophobicContact CG-CG2 4.17Å; G344-V346 PolarHBondContact O-N 3.06Å; G344-V346 VanDerWaalsContact O-N 3.13Å; V346-T348 PolarHBondContact O-N 2.91Å; V346-I349 PolarHBondContact O-N 3.02Å; V346-P350 WeakPolarHBondContact O-CD 3.42Å
347	N	91.1	Very high	92.4	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.016	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-70.7	-11.2	-179.9	-62.1	-29.4	0	0	0	114	L326 V341 E342 G344 L345 I349 P350 A351	L326-N347 HydrophobicContact CD2-CB 3.58Å; V341-N347 WeakPolarHBondContact CG1-OD1 3.32Å; E342-N347 PolarHBondContact O-ND2 2.88Å; G344-N347 WeakPolarHBondContact O-CB 3.43Å; G344-N347 PolarHBondContact O-N 3.14Å; G344-N347 VanDerWaalsContact O-N 3.12Å; G344-N347 PolarHBondContact O-ND2 3.44Å; L345-N347 PolarHBondContact O-N 3.33Å; L345-N347 VanDerWaalsContact O-N 3.15Å; N347-I349 PolarHBondContact O-N 3.49Å; N347-P350 WeakPolarHBondContact O-CD 3.43Å; N347-P350 WeakPolarHBondContact O-CG 3.23Å; N347-A351 WeakPolarHBondContact O-CB 3.41Å; N347-A351 PolarHBondContact O-N 2.73Å
348	T	92.4	Very high	92.7	Very high	9 Å²	9	30 Å²	30	6%	0.055	16%	0.163	C	C	.	.	H	α-helix	trans	-66.9	-24.9	172.4	62.6	0	0	0	0	112.3	P317 Y322 L345 V346 S352	P317-T348 HydrophobicContact CG-CG2 4.26Å; Y322-T348 PolarHBondContact OH-N 3.42Å; L345-T348 WeakPolarHBondContact O-CB 3.32Å; L345-T348 VanDerWaalsContact O-CG2 3.31Å; L345-T348 WeakPolarHBondContact O-CG2 3.46Å; L345-T348 PolarHBondContact O-N 2.95Å; L345-T348 PolarHBondContact O-OG1 3.14Å; V346-T348 PolarHBondContact O-N 2.91Å; T348-S352 VanDerWaalsContact O-CB 3.28Å; T348-S352 WeakPolarHBondContact O-CB 3.27Å; T348-S352 PolarHBondContact O-N 2.92Å; T348-S352 PolarHBondContact O-OG 2.7Å
349	I	95.2	Very high	92.9	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.021	12%	0.123	C	C	.	.	H	α-helix	trans	-70.1	-56.2	178.8	-56.6	-56.1	0	0	0	112.2	P49 W50 A139 P160 F276 V346 N347 A351 S352 F353	P49-I349 HydrophobicContact CB-CB 4.08Å; P49-I349 HydrophobicContact CB-CG1 3.78Å; P49-I349 HydrophobicContact CB-CG2 4.24Å; W50-I349 HydrophobicContact CB-CG2 4.08Å; W50-I349 HydrophobicContact CE3-CG2 4.35Å; A139-I349 HydrophobicContact CB-CG2 4.37Å; P160-I349 HydrophobicContact CG-CD1 4.33Å; F276-I349 HydrophobicContact CE1-CD1 4.03Å; F276-I349 HydrophobicContact CE1-CG1 3.82Å; F276-I349 HydrophobicContact CZ-CD1 4.29Å; F276-I349 HydrophobicContact CZ-CG1 4.21Å; V346-I349 PolarHBondContact O-N 3.02Å; N347-I349 PolarHBondContact O-N 3.49Å; I349-A351 VanDerWaalsContact C-N 3.25Å; I349-A351 PolarHBondContact O-N 3.25Å; I349-S352 WeakPolarHBondContact O-CA 3.32Å; I349-S352 WeakPolarHBondContact O-CB 3.49Å; I349-S352 PolarHBondContact O-N 2.8Å; I349-F353 HydrophobicContact CG2-CD2 4.09Å; I349-F353 HydrophobicContact CG2-CE2 3.92Å; I349-F353 WeakPolarHBondContact O-CD2 3.4Å; I349-F353 PolarHBondContact O-N 2.83Å
350	P	96.1	Very high	93.1	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.4	-34.5	175	24.3	-34.3	0	0	0	112.2	R54 V55 A58 L329 V346 N347 S352 F353 H354	R54-P350 HydrophobicContact CB-CB 4.29Å; R54-P350 HydrophobicContact CB-CG 4.24Å; R54-P350 WeakPolarHBondContact O-CB 3.43Å; V55-P350 HydrophobicContact CG2-CB 4.32Å; A58-P350 HydrophobicContact CB-CB 3.91Å; A58-P350 WeakPolarHBondContact CB-O 3.43Å; L329-P350 HydrophobicContact CD2-CG 4.2Å; V346-P350 WeakPolarHBondContact O-CD 3.42Å; N347-P350 WeakPolarHBondContact O-CD 3.43Å; N347-P350 WeakPolarHBondContact O-CG 3.23Å; P350-S352 VanDerWaalsContact C-N 3.3Å; P350-S352 PolarHBondContact O-N 3.09Å; P350-F353 PolarHBondContact O-N 3.06Å; P350-H354 PolarHBondContact O-N 2.88Å
351	A	95.9	Very high	93.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.2	-38.2	172.2	0	0	0	0	0	112.5	Y322 F325 N347 I349 H354 D355 V392 T393	Y322-A351 HydrophobicContact CD2-CB 4.4Å; Y322-A351 HydrophobicContact CE2-CB 3.85Å; F325-A351 HydrophobicContact CD1-CB 4.11Å; F325-A351 HydrophobicContact CE1-CB 3.51Å; F325-A351 HydrophobicContact CZ-CB 4.04Å; N347-A351 WeakPolarHBondContact O-CB 3.41Å; N347-A351 PolarHBondContact O-N 2.73Å; I349-A351 VanDerWaalsContact C-N 3.25Å; I349-A351 PolarHBondContact O-N 3.25Å; A351-H354 WeakPolarHBondContact O-CB 3.45Å; A351-H354 PolarHBondContact O-N 3.1Å; A351-D355 PolarHBondContact O-N 2.74Å; A351-V392 HydrophobicContact CB-CG2 4.06Å; A351-T393 HydrophobicContact CB-CG2 3.42Å; A351-T393 VanDerWaalsContact CB-CG2 3.42Å
352	S	96.6	Very high	93.6	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.021	10%	0.1	C	C	.	.	H	α-helix	trans	-71.9	-31.5	175.8	-63.3	0	0	0	0	112.9	T348 I349 P350 G356 R404	T348-S352 VanDerWaalsContact O-CB 3.28Å; T348-S352 WeakPolarHBondContact O-CB 3.27Å; T348-S352 PolarHBondContact O-N 2.92Å; T348-S352 PolarHBondContact O-OG 2.7Å; I349-S352 WeakPolarHBondContact O-CA 3.32Å; I349-S352 WeakPolarHBondContact O-CB 3.49Å; I349-S352 PolarHBondContact O-N 2.8Å; P350-S352 VanDerWaalsContact C-N 3.3Å; P350-S352 PolarHBondContact O-N 3.09Å; S352-G356 PolarHBondContact O-N 2.84Å; S352-R404 PolarHBondContact OG-NH1 3.36Å; S352-R404 VanDerWaalsContact OG-NH1 3.12Å
353	F	97.1	Very high	94	Very high	2 Å²	2	12.1 Å²	12.1	1%	0.009	7%	0.069	C	C	.	.	H	α-helix	trans	-65.7	-42.2	169.4	-85.9	-75.7	0	0	0	111.8	L41 W50 V55 L114 A139 I349 P350 L357	L41-F353 HydrophobicContact CD2-CZ 4.23Å; W50-F353 HydrophobicContact CB-CE2 3.77Å; W50-F353 HydrophobicContact CB-CZ 4.33Å; V55-F353 HydrophobicContact CB-CD2 4.49Å; V55-F353 HydrophobicContact CG1-CB 3.84Å; V55-F353 HydrophobicContact CG1-CD1 4.16Å; V55-F353 HydrophobicContact CG1-CD2 3.92Å; V55-F353 HydrophobicContact CG1-CG 3.72Å; V55-F353 HydrophobicContact CG2-CD2 3.67Å; V55-F353 HydrophobicContact CG2-CE2 3.99Å; V55-F353 HydrophobicContact CG2-CG 4.33Å; L114-F353 HydrophobicContact CD1-CD1 3.76Å; L114-F353 HydrophobicContact CD1-CE1 4.21Å; L114-F353 HydrophobicContact CD2-CD1 4.38Å; L114-F353 HydrophobicContact CG-CD1 3.91Å; L114-F353 HydrophobicContact CG-CE1 4.14Å; A139-F353 HydrophobicContact CB-CD1 4.36Å; A139-F353 HydrophobicContact CB-CD2 3.56Å; A139-F353 HydrophobicContact CB-CE1 4.47Å; A139-F353 HydrophobicContact CB-CE2 3.66Å; A139-F353 HydrophobicContact CB-CG 3.92Å; A139-F353 HydrophobicContact CB-CZ 4.14Å; A139-F353 VanDerWaalsContact N-CZ 3.33Å; I349-F353 HydrophobicContact CG2-CD2 4.09Å; I349-F353 HydrophobicContact CG2-CE2 3.92Å; I349-F353 WeakPolarHBondContact O-CD2 3.4Å; I349-F353 PolarHBondContact O-N 2.83Å; P350-F353 PolarHBondContact O-N 3.06Å; F353-L357 WeakPolarHBondContact O-CB 3.44Å; F353-L357 PolarHBondContact O-N 2.88Å
354	H	97	Very high	94.6	Very high	5 Å²	5	7.1 Å²	7.1	2%	0.023	4%	0.042	C	C	.	.	H	α-helix	trans	-56.9	-51.4	172.5	164.8	-73.7	0	0	0	110.9	A58 A62 F325 P350 A351 L357 L358 V392	A58-H354 HydrophobicContact CB-CB 4.25Å; A58-H354 PolarHBondContact O-CD2 3.37Å; A62-H354 HydrophobicContact CB-CB 4.48Å; A62-H354 VanDerWaalsContact CB-CD2 3.49Å; A62-H354 WeakPolarHBondContact CB-CD2 3.19Å; A62-H354 PolarHBondContact N-CD2 3.37Å; F325-H354 HydrophobicContact CE2-CB 4.19Å; F325-H354 HydrophobicContact CZ-CB 4.49Å; P350-H354 PolarHBondContact O-N 2.88Å; A351-H354 WeakPolarHBondContact O-CB 3.45Å; A351-H354 PolarHBondContact O-N 3.1Å; H354-L357 PolarHBondContact O-N 3.28Å; H354-L358 WeakPolarHBondContact CE1-CD1 3.29Å; H354-L358 WeakPolarHBondContact O-CG 3.48Å; H354-L358 PolarHBondContact O-N 2.9Å; H354-L358 VanDerWaalsContact O-N 3.12Å; H354-V392 VanDerWaalsContact CE1-CG1 3.43Å; H354-V392 WeakPolarHBondContact CE1-CG1 3.06Å
355	D	96.6	Very high	95.1	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.005	4%	0.04	C	C	.	.	H	α-helix	trans	-67.3	-39.7	-178.2	-71.5	-16	0	0	0	112.7	A351 L357 L358 L359 G391 V392 T393 L396	A351-D355 PolarHBondContact O-N 2.74Å; D355-L357 VanDerWaalsContact C-N 3.34Å; D355-L357 PolarHBondContact O-N 3.38Å; D355-L358 PolarHBondContact O-N 3.33Å; D355-L359 WeakPolarHBondContact O-CB 3.33Å; D355-L359 PolarHBondContact O-N 2.98Å; D355-G391 VanDerWaalsContact CG-CA 3.44Å; D355-G391 VanDerWaalsContact OD1-CA 3.23Å; D355-G391 WeakPolarHBondContact OD1-CA 3.45Å; D355-G391 WeakPolarHBondContact OD2-CA 3.08Å; D355-V392 WeakPolarHBondContact OD1-CG2 3.28Å; D355-V392 PolarHBondContact OD1-N 2.66Å; D355-V392 PolarHBondContact OD2-N 3.2Å; D355-V392 VanDerWaalsContact OD2-N 3.17Å; D355-T393 WeakPolarHBondContact OD2-CB 3.11Å; D355-T393 PolarHBondContact OD2-N 3.12Å; D355-T393 PolarHBondContact OD2-OG1 3.34Å; D355-L396 HydrophobicContact CB-CD2 3.67Å
356	G	96.1	Very high	95.3	Very high	3 Å²	3	9 Å²	9	3%	0.031	5%	0.048	C	C	.	.	H	α-helix	trans	-62	-39.7	175.6	0	0	0	0	0	112.8	S352 L359 Y360	S352-G356 PolarHBondContact O-N 2.84Å; G356-L359 PolarHBondContact O-N 3.23Å; G356-Y360 PolarHBondContact O-N 2.76Å
357	L	96.5	Very high	95.6	Very high	2 Å²	2	7.7 Å²	7.7	1%	0.01	4%	0.04	C	C	.	.	H	α-helix	trans	-67.3	-41.3	175.8	-177.9	59.8	0	0	0	111.7	V59 A62 L63 F353 H354 D355 Y360 I361	V59-L357 HydrophobicContact CG1-CD2 3.88Å; A62-L357 HydrophobicContact CB-CD2 4.11Å; L63-L357 HydrophobicContact CD2-CD2 4.01Å; L63-L357 HydrophobicContact CG-CD2 4.31Å; F353-L357 WeakPolarHBondContact O-CB 3.44Å; F353-L357 PolarHBondContact O-N 2.88Å; H354-L357 PolarHBondContact O-N 3.28Å; D355-L357 VanDerWaalsContact C-N 3.34Å; D355-L357 PolarHBondContact O-N 3.38Å; L357-Y360 HydrophobicContact CD1-CD1 4.37Å; L357-Y360 PolarHBondContact O-N 2.86Å; L357-I361 HydrophobicContact CD1-CD1 4.13Å; L357-I361 HydrophobicContact CD1-CG1 4.4Å; L357-I361 HydrophobicContact CG-CD1 3.96Å; L357-I361 WeakPolarHBondContact O-CB 3.38Å; L357-I361 VanDerWaalsContact O-CG1 3.26Å; L357-I361 WeakPolarHBondContact O-CG1 3.45Å; L357-I361 PolarHBondContact O-N 3.15Å
358	L	96.1	Very high	95.7	Very high	17 Å²	17	9.3 Å²	9.3	9%	0.089	5%	0.048	C	C	.	.	H	α-helix	trans	-63.7	-40.7	175	-69.9	-177.3	0	0	0	112.1	A62 V66 H354 D355 Y360 I361 Q362 F389	A62-L358 HydrophobicContact CB-CD2 4.2Å; A62-L358 HydrophobicContact CB-CG 4.24Å; V66-L358 HydrophobicContact CG2-CD2 3.56Å; H354-L358 WeakPolarHBondContact CE1-CD1 3.29Å; H354-L358 WeakPolarHBondContact O-CG 3.48Å; H354-L358 PolarHBondContact O-N 2.9Å; H354-L358 VanDerWaalsContact O-N 3.12Å; D355-L358 PolarHBondContact O-N 3.33Å; L358-Y360 VanDerWaalsContact C-N 3.35Å; L358-I361 PolarHBondContact O-N 2.84Å; L358-Q362 WeakPolarHBondContact O-CB 3.34Å; L358-Q362 PolarHBondContact O-N 3.12Å; L358-F389 HydrophobicContact CB-CE1 4.09Å; L358-F389 HydrophobicContact CB-CZ 3.86Å
359	L	96.8	Very high	95.7	Very high	1 Å²	1	13 Å²	13	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-60.2	-44.9	174.8	176.1	62.3	0	0	0	111.4	D355 G356 Q362 A363 M384 F389 I398	D355-L359 WeakPolarHBondContact O-CB 3.33Å; D355-L359 PolarHBondContact O-N 2.98Å; G356-L359 PolarHBondContact O-N 3.23Å; L359-Q362 WeakPolarHBondContact O-CB 3.32Å; L359-Q362 PolarHBondContact O-N 2.63Å; L359-A363 PolarHBondContact O-N 3.37Å; L359-M384 HydrophobicContact CD2-CB 4.33Å; L359-M384 HydrophobicContact CG-CB 4.37Å; L359-M384 HydrophobicContact CG-CG 4.14Å; L359-M384 HydrophobicContact CG-SD 4.49Å; L359-F389 HydrophobicContact CD1-CB 4.15Å; L359-F389 HydrophobicContact CD1-CD2 4.1Å; L359-F389 HydrophobicContact CD1-CG 4.19Å; L359-I398 HydrophobicContact CD2-CD1 4.29Å; L359-I398 HydrophobicContact CD2-CG1 3.54Å
360	Y	96.9	Very high	95.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.5	-46.7	175.7	170.2	-102.9	0	0	0	112.2	L35 A112 P135 L137 G356 L357 L358 Q362 A363 V364 I380 M384	L35-Y360 HydrophobicContact CD1-CE1 4.34Å; L35-Y360 HydrophobicContact CD2-CE1 4.04Å; A112-Y360 HydrophobicContact CB-CE1 4.04Å; A112-Y360 HydrophobicContact CB-CE2 3.8Å; A112-Y360 VanDerWaalsContact CB-CZ 3.49Å; A112-Y360 WeakPolarHBondContact CB-OH 3.43Å; P135-Y360 HydrophobicContact CB-CE2 4.35Å; P135-Y360 HydrophobicContact CG-CE2 4.43Å; L137-Y360 VanDerWaalsContact CD1-CB 3.42Å; L137-Y360 HydrophobicContact CD1-CD1 4.06Å; L137-Y360 HydrophobicContact CD1-CD2 3.69Å; L137-Y360 HydrophobicContact CD1-CE2 4.46Å; L137-Y360 HydrophobicContact CD1-CG 3.45Å; L137-Y360 VanDerWaalsContact CD1-CG 3.45Å; G356-Y360 PolarHBondContact O-N 2.76Å; L357-Y360 HydrophobicContact CD1-CD1 4.37Å; L357-Y360 PolarHBondContact O-N 2.86Å; L358-Y360 VanDerWaalsContact C-N 3.35Å; Y360-Q362 VanDerWaalsContact C-N 3.27Å; Y360-Q362 PolarHBondContact O-N 2.97Å; Y360-A363 WeakPolarHBondContact O-CB 3.33Å; Y360-A363 PolarHBondContact O-N 2.99Å; Y360-A363 VanDerWaalsContact O-N 3.1Å; Y360-V364 HydrophobicContact CD1-CG2 4.23Å; Y360-V364 HydrophobicContact CD2-CG2 4.16Å; Y360-V364 HydrophobicContact CE1-CG2 3.78Å; Y360-V364 HydrophobicContact CE2-CG2 3.71Å; Y360-V364 HydrophobicContact CG-CG2 4.4Å; Y360-V364 VanDerWaalsContact CZ-CG2 3.48Å; Y360-V364 WeakPolarHBondContact O-CG2 3.36Å; Y360-V364 PolarHBondContact O-N 3.4Å; Y360-I380 HydrophobicContact CD2-CG2 3.69Å; Y360-I380 HydrophobicContact CE2-CG2 3.58Å; Y360-M384 VanDerWaalsContact CA-SD 3.59Å; Y360-M384 HydrophobicContact CD2-CE 4.2Å; Y360-M384 HydrophobicContact CD2-SD 4.02Å; Y360-M384 HydrophobicContact CG-SD 4.45Å
361	I	95.6	Very high	95.2	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-61.1	-39	179.3	-73.3	171.6	0	0	0	111.4	V66 L72 L73 V78 L357 L358 V364 T365	V66-I361 HydrophobicContact CB-CD1 4.38Å; V66-I361 HydrophobicContact CG1-CD1 4.25Å; V66-I361 HydrophobicContact CG1-CG2 4.07Å; V66-I361 HydrophobicContact CG2-CD1 3.51Å; V66-I361 HydrophobicContact CG2-CG2 4.09Å; L72-I361 HydrophobicContact CB-CG2 4.31Å; L72-I361 HydrophobicContact CD1-CG2 4.34Å; L73-I361 HydrophobicContact CD1-CB 4.46Å; L73-I361 HydrophobicContact CD1-CG1 4.18Å; L73-I361 HydrophobicContact CD1-CG2 3.72Å; L73-I361 HydrophobicContact CG-CG2 3.84Å; V78-I361 HydrophobicContact CG2-CD1 4.26Å; L357-I361 HydrophobicContact CD1-CD1 4.13Å; L357-I361 HydrophobicContact CD1-CG1 4.4Å; L357-I361 HydrophobicContact CG-CD1 3.96Å; L357-I361 WeakPolarHBondContact O-CB 3.38Å; L357-I361 VanDerWaalsContact O-CG1 3.26Å; L357-I361 WeakPolarHBondContact O-CG1 3.45Å; L357-I361 PolarHBondContact O-N 3.15Å; L358-I361 PolarHBondContact O-N 2.84Å; I361-V364 PolarHBondContact O-N 3.12Å; I361-T365 WeakPolarHBondContact O-CB 3.41Å; I361-T365 PolarHBondContact O-N 3.46Å; I361-T365 PolarHBondContact O-OG1 3.19Å
362	Q	95.1	Very high	94.9	Very high	40 Å²	40	23.8 Å²	23.8	19%	0.187	15%	0.154	C	C	.	.	H	α-helix	trans	-62.8	-46.2	173.7	-174.8	65.6	37.3	0	0	111.3	L358 L359 Y360 V364 T365 E366 R387	L358-Q362 WeakPolarHBondContact O-CB 3.34Å; L358-Q362 PolarHBondContact O-N 3.12Å; L359-Q362 WeakPolarHBondContact O-CB 3.32Å; L359-Q362 PolarHBondContact O-N 2.63Å; Y360-Q362 VanDerWaalsContact C-N 3.27Å; Y360-Q362 PolarHBondContact O-N 2.97Å; Q362-V364 PolarHBondContact O-N 2.92Å; Q362-T365 PolarHBondContact O-N 3.42Å; Q362-E366 WeakPolarHBondContact CG-OE1 3.36Å; Q362-E366 PolarHBondContact NE2-OE1 3.22Å; Q362-E366 WeakPolarHBondContact O-CG 3.38Å; Q362-E366 PolarHBondContact O-N 3.5Å; Q362-R387 VanDerWaalsContact CG-NH2 3.34Å
363	A	96.1	Very high	94.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.8	-38.4	178	0	0	0	0	0	112.9	L359 Y360 T367 I380 R383 M384	L359-A363 PolarHBondContact O-N 3.37Å; Y360-A363 WeakPolarHBondContact O-CB 3.33Å; Y360-A363 PolarHBondContact O-N 2.99Å; Y360-A363 VanDerWaalsContact O-N 3.1Å; A363-T367 WeakPolarHBondContact O-CB 3.37Å; A363-T367 PolarHBondContact O-N 2.92Å; A363-T367 PolarHBondContact O-OG1 3.26Å; A363-I380 HydrophobicContact CB-CG2 3.99Å; A363-R383 HydrophobicContact CB-CB 3.94Å; A363-M384 HydrophobicContact CB-CG 3.52Å; A363-M384 HydrophobicContact CB-SD 4.49Å
364	V	95.8	Very high	94.3	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.6	-44.9	173.5	176.3	0	0	0	0	110.8	L35 L73 Y360 I361 Q362 E366 T367 L368 V374 I380	L35-V364 HydrophobicContact CD1-CG1 3.95Å; L35-V364 HydrophobicContact CD1-CG2 4.42Å; L73-V364 HydrophobicContact CD2-CB 3.95Å; L73-V364 HydrophobicContact CD2-CG1 3.5Å; L73-V364 VanDerWaalsContact CD2-CG1 3.5Å; Y360-V364 HydrophobicContact CD1-CG2 4.23Å; Y360-V364 HydrophobicContact CD2-CG2 4.16Å; Y360-V364 HydrophobicContact CE1-CG2 3.78Å; Y360-V364 HydrophobicContact CE2-CG2 3.71Å; Y360-V364 HydrophobicContact CG-CG2 4.4Å; Y360-V364 VanDerWaalsContact CZ-CG2 3.48Å; Y360-V364 WeakPolarHBondContact O-CG2 3.36Å; Y360-V364 PolarHBondContact O-N 3.4Å; I361-V364 PolarHBondContact O-N 3.12Å; Q362-V364 PolarHBondContact O-N 2.92Å; V364-E366 VanDerWaalsContact C-N 3.3Å; V364-E366 PolarHBondContact O-N 3.14Å; V364-T367 WeakPolarHBondContact O-CB 3.4Å; V364-T367 PolarHBondContact O-N 3.39Å; V364-T367 VanDerWaalsContact O-N 3.08Å; V364-L368 HydrophobicContact CG1-CD1 4.08Å; V364-L368 HydrophobicContact CG1-CG 4.29Å; V364-L368 WeakPolarHBondContact O-CG 3.3Å; V364-L368 PolarHBondContact O-N 2.96Å; V364-V374 HydrophobicContact CG1-CB 4.36Å; V364-V374 HydrophobicContact CG1-CG1 3.83Å; V364-I380 HydrophobicContact CG2-CD1 3.93Å; V364-I380 HydrophobicContact CG2-CG1 4.14Å; V364-I380 HydrophobicContact CG2-CG2 3.85Å
365	T	94.9	Very high	94	Very high	19 Å²	19	31.2 Å²	31.2	12%	0.117	20%	0.199	C	C	.	.	H	α-helix	trans	-58.4	-44	178.8	-59.2	0	0	0	0	111.2	L73 I361 Q362 L368 A369	L73-T365 PolarHBondContact N-OG1 3Å; I361-T365 WeakPolarHBondContact O-CB 3.41Å; I361-T365 PolarHBondContact O-N 3.46Å; I361-T365 PolarHBondContact O-OG1 3.19Å; Q362-T365 PolarHBondContact O-N 3.42Å; T365-L368 PolarHBondContact O-N 3.17Å; T365-A369 WeakPolarHBondContact O-CB 3.32Å; T365-A369 PolarHBondContact O-N 2.81Å
366	E	94.7	Very high	93.8	Very high	50 Å²	50	33.6 Å²	33.6	23%	0.234	21%	0.212	C	C	.	.	H	α-helix	trans	-66.3	-36.8	175.4	-72.3	164.4	-163.1	0	0	112.4	Q362 V364 A369 H370 R387	Q362-E366 WeakPolarHBondContact CG-OE1 3.36Å; Q362-E366 PolarHBondContact NE2-OE1 3.22Å; Q362-E366 WeakPolarHBondContact O-CG 3.38Å; Q362-E366 PolarHBondContact O-N 3.5Å; V364-E366 VanDerWaalsContact C-N 3.3Å; V364-E366 PolarHBondContact O-N 3.14Å; E366-A369 PolarHBondContact O-N 3.32Å; E366-H370 PolarHBondContact O-N 2.79Å; E366-H370 PolarHBondContact O-ND1 3.03Å; E366-R387 VanDerWaalsContact CD-NH1 3.34Å; E366-R387 IonicContact OE1-CZ 2.98Å; E366-R387 IonicContact OE1-NH1 2.82Å; E366-R387 PolarHBondContact OE1-NH1 3.27Å; E366-R387 IonicContact OE1-NH2 3.55Å; E366-R387 PolarHBondContact OE1-NH2 3.49Å; E366-R387 IonicContact OE2-CZ 3.17Å; E366-R387 IonicContact OE2-NH1 2.69Å; E366-R387 PolarHBondContact OE2-NH1 2.91Å; E366-R387 IonicContact OE2-NH2 3.81Å
367	T	95.1	Very high	93.6	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.012	21%	0.213	C	C	.	.	H	α-helix	trans	-64.3	-44.6	176	-58	0	0	0	0	111.1	A363 V364 A369 H370 G371 G372 D376 N379 I380 R383	A363-T367 WeakPolarHBondContact O-CB 3.37Å; A363-T367 PolarHBondContact O-N 2.92Å; A363-T367 PolarHBondContact O-OG1 3.26Å; V364-T367 WeakPolarHBondContact O-CB 3.4Å; V364-T367 PolarHBondContact O-N 3.39Å; V364-T367 VanDerWaalsContact O-N 3.08Å; T367-A369 VanDerWaalsContact C-N 3.35Å; T367-A369 PolarHBondContact O-N 3.2Å; T367-H370 PolarHBondContact O-N 3.02Å; T367-G371 PolarHBondContact O-N 3.07Å; T367-G372 WeakPolarHBondContact O-CA 3.48Å; T367-G372 PolarHBondContact O-N 3Å; T367-D376 HydrophobicContact CG2-CB 4.43Å; T367-N379 HydrophobicContact CG2-CB 4.21Å; T367-I380 HydrophobicContact CG2-CG1 4.25Å; T367-R383 WeakPolarHBondContact OG1-CD 3.42Å
368	L	93.4	Very high	93.5	Very high	37 Å²	37	38.1 Å²	38.1	19%	0.194	23%	0.234	C	C	.	.	H	α-helix	trans	-62.2	-40.8	174.7	-68.5	172.8	0	0	0	111.8	L73 V364 T365 H370 G371 V374	L73-L368 HydrophobicContact CD2-CD1 4.17Å; V364-L368 HydrophobicContact CG1-CD1 4.08Å; V364-L368 HydrophobicContact CG1-CG 4.29Å; V364-L368 WeakPolarHBondContact O-CG 3.3Å; V364-L368 PolarHBondContact O-N 2.96Å; T365-L368 PolarHBondContact O-N 3.17Å; L368-H370 PolarHBondContact O-N 3.24Å; L368-G371 PolarHBondContact O-N 3.37Å; L368-V374 HydrophobicContact CD1-CG1 4.29Å; L368-V374 HydrophobicContact CD2-CG1 4.06Å; L368-V374 HydrophobicContact CG-CG1 4.49Å
369	A	91.8	Very high	93.4	Very high	85 Å²	85	40.4 Å²	40.4	70%	0.702	25%	0.246	S	C	*	.	H	α-helix	trans	-62.5	-28.9	177.2	0	0	0	0	0	113	T365 E366 T367 G371	T365-A369 WeakPolarHBondContact O-CB 3.32Å; T365-A369 PolarHBondContact O-N 2.81Å; E366-A369 PolarHBondContact O-N 3.32Å; T367-A369 VanDerWaalsContact C-N 3.35Å; T367-A369 PolarHBondContact O-N 3.2Å; A369-G371 VanDerWaalsContact C-N 3.33Å
370	H	92.1	Very high	93.4	Very high	142 Å²	142	40.3 Å²	40.3	66%	0.657	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	11.2	176	-68.7	78.5	0	0	0	113.5	E366 T367 L368	E366-H370 PolarHBondContact O-N 2.79Å; E366-H370 PolarHBondContact O-ND1 3.03Å; T367-H370 PolarHBondContact O-N 3.02Å; L368-H370 PolarHBondContact O-N 3.24Å
371	G	88.4	Confident	93.4	Very high	70 Å²	70	40.5 Å²	40.5	72%	0.722	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.4	10.9	177.5	0	0	0	0	0	115.4	T367 L368 A369	T367-G371 PolarHBondContact O-N 3.07Å; L368-G371 PolarHBondContact O-N 3.37Å; A369-G371 VanDerWaalsContact C-N 3.33Å
372	G	90	Very high	93.3	Very high	20 Å²	20	47.3 Å²	47.3	21%	0.206	28%	0.279	C	S	.	.			trans	-80.5	-177.5	170.1	0	0	0	0	0	112.9	T367 D376	T367-G372 WeakPolarHBondContact O-CA 3.48Å; T367-G372 PolarHBondContact O-N 3Å; G372-D376 VanDerWaalsContact CA-OD2 3.32Å; G372-D376 WeakPolarHBondContact CA-OD2 3.38Å
373	T	91.2	Very high	93.4	Very high	62 Å²	62	48.3 Å²	48.3	38%	0.38	28%	0.28	S	S	.	.			trans	-118	164.8	-179.3	80	0	0	0	0	112.5	T375 D376	T373-T375 PolarHBondContact O-N 3.05Å; T373-T375 PolarHBondContact OG1-N 3.04Å; T373-T375 PolarHBondContact OG1-OG1 3.01Å; T373-D376 PolarHBondContact N-OD2 3.37Å; T373-D376 PolarHBondContact O-N 2.81Å; T373-D376 VanDerWaalsContact OG1-CG 3.3Å; T373-D376 PolarHBondContact OG1-OD1 2.93Å
374	V	90.4	Very high	93.4	Very high	11 Å²	11	48.3 Å²	48.3	7%	0.067	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-12.8	176.6	-57.3	0	0	0	0	113.6	L35 W76 V364 L368 I380	L35-V374 HydrophobicContact CD1-CB 4.38Å; L35-V374 HydrophobicContact CD1-CG1 4.18Å; W76-V374 HydrophobicContact CD2-CG1 3.88Å; W76-V374 HydrophobicContact CE3-CG1 3.95Å; W76-V374 HydrophobicContact CE3-CG2 4.33Å; W76-V374 HydrophobicContact CH2-CG1 4.09Å; W76-V374 HydrophobicContact CH2-CG2 3.67Å; W76-V374 HydrophobicContact CZ2-CG1 4Å; W76-V374 HydrophobicContact CZ2-CG2 4.32Å; W76-V374 HydrophobicContact CZ3-CG1 4.06Å; W76-V374 HydrophobicContact CZ3-CG2 3.68Å; V364-V374 HydrophobicContact CG1-CB 4.36Å; V364-V374 HydrophobicContact CG1-CG1 3.83Å; L368-V374 HydrophobicContact CD1-CG1 4.29Å; L368-V374 HydrophobicContact CD2-CG1 4.06Å; L368-V374 HydrophobicContact CG-CG1 4.49Å; V374-I380 WeakPolarHBondContact O-CD1 3.48Å
375	T	90.8	Very high	93.4	Very high	92 Å²	92	50.9 Å²	50.9	56%	0.564	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-0.8	178.9	46.7	0	0	0	0	113.4	T373 G377	T373-T375 PolarHBondContact O-N 3.05Å; T373-T375 PolarHBondContact OG1-N 3.04Å; T373-T375 PolarHBondContact OG1-OG1 3.01Å; T375-G377 PolarHBondContact O-N 3.24Å
376	D	92.3	Very high	93.5	Very high	52 Å²	52	55.3 Å²	55.3	28%	0.278	31%	0.313	S	S	.	.			trans	-78.6	69	-178.9	-61.2	-10.5	0	0	0	110.7	T367 G372 T373 E378 N379 I380	T367-D376 HydrophobicContact CG2-CB 4.43Å; G372-D376 VanDerWaalsContact CA-OD2 3.32Å; G372-D376 WeakPolarHBondContact CA-OD2 3.38Å; T373-D376 PolarHBondContact N-OD2 3.37Å; T373-D376 PolarHBondContact O-N 2.81Å; T373-D376 VanDerWaalsContact OG1-CG 3.3Å; T373-D376 PolarHBondContact OG1-OD1 2.93Å; D376-E378 VanDerWaalsContact C-N 3.31Å; D376-E378 PolarHBondContact O-N 3.25Å; D376-N379 HydrophobicContact CB-CB 4.03Å; D376-N379 PolarHBondContact O-N 2.84Å; D376-N379 VanDerWaalsContact O-N 3.08Å; D376-I380 WeakPolarHBondContact O-CG1 3.27Å; D376-I380 PolarHBondContact O-N 2.99Å
377	G	92.6	Very high	93.5	Very high	4 Å²	4	55.7 Å²	55.7	4%	0.041	31%	0.312	C	S	.	.	H	α-helix	trans	-53.5	-41.2	-169.1	0	0	0	0	0	114.6	T375 I380 T381	T375-G377 PolarHBondContact O-N 3.24Å; G377-I380 PolarHBondContact O-N 2.75Å; G377-T381 VanDerWaalsContact O-CB 3.31Å; G377-T381 WeakPolarHBondContact O-CB 3.45Å; G377-T381 PolarHBondContact O-N 3.01Å; G377-T381 PolarHBondContact O-OG1 3.43Å
378	E	93.9	Very high	93.6	Very high	95 Å²	95	58.9 Å²	58.9	44%	0.444	34%	0.335	S	S	.	.	H	α-helix	trans	-63.8	-46.7	176.9	-80.3	154.3	-128.6	0	0	113.2	R133 L154 D376 I380 T381 Q382	R133-E378 IonicContact CZ-OE1 2.98Å; R133-E378 IonicContact NE-OE1 3.03Å; R133-E378 PolarHBondContact NE-OE1 3.06Å; R133-E378 VanDerWaalsContact NH2-CD 3.31Å; R133-E378 IonicContact NH2-OE1 3.88Å; R133-E378 PolarHBondContact NH2-OE1 3.45Å; R133-E378 IonicContact NH2-OE2 3.21Å; R133-E378 PolarHBondContact NH2-OE2 2.62Å; L154-E378 HydrophobicContact CD2-CB 4.41Å; L154-E378 HydrophobicContact CD2-CG 3.82Å; D376-E378 VanDerWaalsContact C-N 3.31Å; D376-E378 PolarHBondContact O-N 3.25Å; E378-I380 VanDerWaalsContact C-N 3.29Å; E378-I380 PolarHBondContact O-N 3.45Å; E378-T381 PolarHBondContact O-N 3.32Å; E378-Q382 VanDerWaalsContact O-CB 3.3Å; E378-Q382 WeakPolarHBondContact O-CB 3.46Å; E378-Q382 PolarHBondContact O-N 3.37Å
379	N	94.3	Very high	93.6	Very high	65 Å²	65	58.9 Å²	58.9	35%	0.348	33%	0.333	S	S	.	.	H	α-helix	trans	-64	-38.3	-179.9	-98.4	-44.3	0	0	0	111.5	T367 D376 R383	T367-N379 HydrophobicContact CG2-CB 4.21Å; D376-N379 HydrophobicContact CB-CB 4.03Å; D376-N379 PolarHBondContact O-N 2.84Å; D376-N379 VanDerWaalsContact O-N 3.08Å; N379-R383 WeakPolarHBondContact O-CG 3.5Å; N379-R383 PolarHBondContact O-N 3Å; N379-R383 PolarHBondContact O-NH1 3.21Å; N379-R383 PolarHBondContact OD1-NH1 3.32Å; N379-R383 VanDerWaalsContact OD1-NH1 3.15Å
380	I	96.3	Very high	93.7	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-68.8	-49.7	177.7	-63.1	160.3	0	0	0	109.5	Y360 A363 V364 T367 V374 D376 G377 E378 Q382 R383 M384	Y360-I380 HydrophobicContact CD2-CG2 3.69Å; Y360-I380 HydrophobicContact CE2-CG2 3.58Å; A363-I380 HydrophobicContact CB-CG2 3.99Å; V364-I380 HydrophobicContact CG2-CD1 3.93Å; V364-I380 HydrophobicContact CG2-CG1 4.14Å; V364-I380 HydrophobicContact CG2-CG2 3.85Å; T367-I380 HydrophobicContact CG2-CG1 4.25Å; V374-I380 WeakPolarHBondContact O-CD1 3.48Å; D376-I380 WeakPolarHBondContact O-CG1 3.27Å; D376-I380 PolarHBondContact O-N 2.99Å; G377-I380 PolarHBondContact O-N 2.75Å; E378-I380 VanDerWaalsContact C-N 3.29Å; E378-I380 PolarHBondContact O-N 3.45Å; I380-Q382 PolarHBondContact O-N 2.99Å; I380-R383 PolarHBondContact O-N 3.36Å; I380-R383 VanDerWaalsContact O-N 3.13Å; I380-M384 HydrophobicContact CG2-CE 4.32Å; I380-M384 PolarHBondContact O-N 3.25Å
381	T	96	Very high	93.8	Very high	4 Å²	4	54.1 Å²	54.1	3%	0.025	30%	0.298	C	S	.	.	H	α-helix	trans	-58.9	-44.8	178.3	-63.7	0	0	0	0	112.1	L154 G377 E378 R383 M384 W385	L154-T381 HydrophobicContact CD2-CG2 4.04Å; G377-T381 VanDerWaalsContact O-CB 3.31Å; G377-T381 WeakPolarHBondContact O-CB 3.45Å; G377-T381 PolarHBondContact O-N 3.01Å; G377-T381 PolarHBondContact O-OG1 3.43Å; E378-T381 PolarHBondContact O-N 3.32Å; T381-R383 PolarHBondContact O-N 3.49Å; T381-M384 WeakPolarHBondContact O-CA 3.24Å; T381-M384 WeakPolarHBondContact O-CB 3.13Å; T381-M384 PolarHBondContact O-N 2.98Å; T381-W385 HydrophobicContact CG2-CD2 3.9Å; T381-W385 HydrophobicContact CG2-CG 4.23Å; T381-W385 HydrophobicContact CG2-CH2 4.34Å; T381-W385 HydrophobicContact CG2-CZ2 3.55Å; T381-W385 VanDerWaalsContact CG2-NE1 3.26Å; T381-W385 PolarHBondContact O-N 3.27Å
382	Q	94.8	Very high	94	Very high	144 Å²	144	51.1 Å²	51.1	67%	0.673	27%	0.266	S	S	*	.	H	α-helix	trans	-60.7	-30.4	178.7	-169.9	178.8	11.8	0	0	112.7	E378 I380 M384	E378-Q382 VanDerWaalsContact O-CB 3.3Å; E378-Q382 WeakPolarHBondContact O-CB 3.46Å; E378-Q382 PolarHBondContact O-N 3.37Å; I380-Q382 PolarHBondContact O-N 2.99Å; Q382-M384 VanDerWaalsContact C-N 3.35Å
383	R	95.9	Very high	94.1	Very high	60 Å²	60	50.6 Å²	50.6	23%	0.226	26%	0.259	C	S	.	.	H	α-helix	trans	-80.7	-14	175.5	-72.6	174	178.3	75.7	-2.1	113.7	A363 T367 N379 I380 T381 R387	A363-R383 HydrophobicContact CB-CB 3.94Å; T367-R383 WeakPolarHBondContact OG1-CD 3.42Å; N379-R383 WeakPolarHBondContact O-CG 3.5Å; N379-R383 PolarHBondContact O-N 3Å; N379-R383 PolarHBondContact O-NH1 3.21Å; N379-R383 PolarHBondContact OD1-NH1 3.32Å; N379-R383 VanDerWaalsContact OD1-NH1 3.15Å; I380-R383 PolarHBondContact O-N 3.36Å; I380-R383 VanDerWaalsContact O-N 3.13Å; T381-R383 PolarHBondContact O-N 3.49Å; R383-R387 WeakPolarHBondContact O-CD 3.25Å; R383-R387 PolarHBondContact O-NH1 2.85Å
384	M	96.7	Very high	94.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-89.5	-34.2	172.4	-65	-169.8	-68	0	0	112.1	L137 L359 Y360 A363 I380 T381 Q382 R387 I398	L137-M384 HydrophobicContact CD2-CE 3.99Å; L137-M384 HydrophobicContact CD2-SD 3.77Å; L359-M384 HydrophobicContact CD2-CB 4.33Å; L359-M384 HydrophobicContact CG-CB 4.37Å; L359-M384 HydrophobicContact CG-CG 4.14Å; L359-M384 HydrophobicContact CG-SD 4.49Å; Y360-M384 VanDerWaalsContact CA-SD 3.59Å; Y360-M384 HydrophobicContact CD2-CE 4.2Å; Y360-M384 HydrophobicContact CD2-SD 4.02Å; Y360-M384 HydrophobicContact CG-SD 4.45Å; A363-M384 HydrophobicContact CB-CG 3.52Å; A363-M384 HydrophobicContact CB-SD 4.49Å; I380-M384 HydrophobicContact CG2-CE 4.32Å; I380-M384 PolarHBondContact O-N 3.25Å; T381-M384 WeakPolarHBondContact O-CA 3.24Å; T381-M384 WeakPolarHBondContact O-CB 3.13Å; T381-M384 PolarHBondContact O-N 2.98Å; Q382-M384 VanDerWaalsContact C-N 3.35Å; M384-R387 WeakPolarHBondContact O-CB 3.21Å; M384-I398 WeakPolarHBondContact O-CB 3.3Å
385	W	96.6	Very high	94.2	Very high	55 Å²	55	52.9 Å²	52.9	21%	0.208	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	150.8	-176.1	-66.5	11.7	0	0	0	111.9	K149 T156 T381 R387 G402	K149-W385 HydrophobicContact CB-CH2 3.87Å; K149-W385 HydrophobicContact CB-CZ3 4.39Å; K149-W385 HydrophobicContact CD-CH2 4.12Å; K149-W385 HydrophobicContact CD-CZ2 4.36Å; K149-W385 HydrophobicContact CG-CH2 3.72Å; K149-W385 HydrophobicContact CG-CZ2 4.4Å; K149-W385 HydrophobicContact CG-CZ3 4.28Å; T156-W385 PolarHBondContact OG1-NE1 3.42Å; T381-W385 HydrophobicContact CG2-CD2 3.9Å; T381-W385 HydrophobicContact CG2-CG 4.23Å; T381-W385 HydrophobicContact CG2-CH2 4.34Å; T381-W385 HydrophobicContact CG2-CZ2 3.55Å; T381-W385 VanDerWaalsContact CG2-NE1 3.26Å; T381-W385 PolarHBondContact O-N 3.27Å; W385-R387 VanDerWaalsContact C-N 3.25Å; W385-R387 PolarHBondContact O-N 2.65Å; W385-G402 VanDerWaalsContact CD1-CA 3.41Å; W385-G402 VanDerWaalsContact CD2-CA 3.47Å; W385-G402 VanDerWaalsContact NE1-CA 3.3Å
386	N	96.2	Very high	94.4	Very high	111 Å²	111	48.8 Å²	48.8	59%	0.594	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	40.8	-174.8	-164.1	28.3	0	0	0	113.7	I398 D399	N386-I398 CarbonylContact C-O 3.24Å; N386-I398 WeakPolarHBondContact CA-O 3.4Å; N386-I398 PolarHBondContact N-O 3.44Å; N386-I398 VanDerWaalsContact N-O 3.12Å; N386-D399 PolarHBondContact N-O 2.91Å
387	R	95.5	Very high	94.5	Very high	58 Å²	58	49.1 Å²	49.1	22%	0.219	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	138.7	-174.5	-179.1	171.9	179.4	159.2	7.7	111.6	Q362 E366 R383 M384 W385 K397 I398	Q362-R387 VanDerWaalsContact CG-NH2 3.34Å; E366-R387 VanDerWaalsContact CD-NH1 3.34Å; E366-R387 IonicContact OE1-CZ 2.98Å; E366-R387 IonicContact OE1-NH1 2.82Å; E366-R387 PolarHBondContact OE1-NH1 3.27Å; E366-R387 IonicContact OE1-NH2 3.55Å; E366-R387 PolarHBondContact OE1-NH2 3.49Å; E366-R387 IonicContact OE2-CZ 3.17Å; E366-R387 IonicContact OE2-NH1 2.69Å; E366-R387 PolarHBondContact OE2-NH1 2.91Å; E366-R387 IonicContact OE2-NH2 3.81Å; R383-R387 WeakPolarHBondContact O-CD 3.25Å; R383-R387 PolarHBondContact O-NH1 2.85Å; M384-R387 WeakPolarHBondContact O-CB 3.21Å; W385-R387 VanDerWaalsContact C-N 3.25Å; W385-R387 PolarHBondContact O-N 2.65Å; R387-K397 WeakPolarHBondContact O-CA 3.39Å; R387-I398 PolarHBondContact N-O 3.22Å; R387-I398 PolarHBondContact O-N 3.05Å
388	S	95.6	Very high	94.7	Very high	69 Å²	69	48.9 Å²	48.9	48%	0.483	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	142	166.5	56.3	0	0	0	0	111.2	Y395 L396	S388-Y395 WeakPolarHBondContact CB-OH 3.47Å; S388-L396 CarbonylContact C-O 3.56Å; S388-L396 WeakPolarHBondContact CA-O 3.37Å
389	F	94.4	Very high	94.7	Very high	37 Å²	37	45.1 Å²	45.1	16%	0.162	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	152.3	179.7	-173.8	-100	0	0	0	110.3	L358 L359 L396	L358-F389 HydrophobicContact CB-CE1 4.09Å; L358-F389 HydrophobicContact CB-CZ 3.86Å; L359-F389 HydrophobicContact CD1-CB 4.15Å; L359-F389 HydrophobicContact CD1-CD2 4.1Å; L359-F389 HydrophobicContact CD1-CG 4.19Å; F389-L396 HydrophobicContact CB-CD1 3.92Å; F389-L396 HydrophobicContact CB-CG 4.02Å; F389-L396 HydrophobicContact CD1-CD2 4.04Å; F389-L396 HydrophobicContact CD1-CG 4.39Å; F389-L396 PolarHBondContact N-O 3.43Å; F389-L396 PolarHBondContact O-N 3.38Å; F389-L396 VanDerWaalsContact O-O 3.12Å
390	Q	94.1	Very high	94.7	Very high	121 Å²	121	46.1 Å²	46.1	57%	0.565	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	108.9	175.7	-166.7	71.2	26	0	0	108.7
391	G	92.8	Very high	94.5	Very high	6 Å²	6	48.6 Å²	48.6	6%	0.062	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-170.9	-179.4	0	0	0	0	0	113.1	D355 T393 G394	D355-G391 VanDerWaalsContact CG-CA 3.44Å; D355-G391 VanDerWaalsContact OD1-CA 3.23Å; D355-G391 WeakPolarHBondContact OD1-CA 3.45Å; D355-G391 WeakPolarHBondContact OD2-CA 3.08Å; G391-T393 VanDerWaalsContact C-N 3.26Å; G391-G394 PolarHBondContact N-O 2.59Å; G391-G394 PolarHBondContact O-N 3.28Å
392	V	94	Very high	94.4	Very high	7 Å²	7	48.4 Å²	48.4	4%	0.042	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-27.6	169.8	-63.2	0	0	0	0	111.3	N319 Y322 F325 A351 H354 D355 G394	N319-V392 PolarHBondContact ND2-O 2.92Å; Y322-V392 WeakPolarHBondContact CA-O 2.97Å; Y322-V392 VanDerWaalsContact CB-O 3.31Å; Y322-V392 WeakPolarHBondContact CB-O 3.33Å; Y322-V392 PolarHBondContact N-O 3.27Å; F325-V392 HydrophobicContact CB-CB 4Å; F325-V392 HydrophobicContact CB-CG1 4.12Å; F325-V392 HydrophobicContact CB-CG2 4.34Å; F325-V392 HydrophobicContact CD1-CG2 4.15Å; F325-V392 HydrophobicContact CD2-CB 4.35Å; F325-V392 HydrophobicContact CD2-CG1 4.16Å; F325-V392 HydrophobicContact CD2-CG2 3.98Å; F325-V392 HydrophobicContact CE2-CG2 4.33Å; F325-V392 HydrophobicContact CG-CB 4.1Å; F325-V392 HydrophobicContact CG-CG1 4.3Å; F325-V392 HydrophobicContact CG-CG2 3.88Å; A351-V392 HydrophobicContact CB-CG2 4.06Å; H354-V392 VanDerWaalsContact CE1-CG1 3.43Å; H354-V392 WeakPolarHBondContact CE1-CG1 3.06Å; D355-V392 WeakPolarHBondContact OD1-CG2 3.28Å; D355-V392 PolarHBondContact OD1-N 2.66Å; D355-V392 PolarHBondContact OD2-N 3.2Å; D355-V392 VanDerWaalsContact OD2-N 3.17Å; V392-G394 PolarHBondContact O-N 2.77Å
393	T	92.6	Very high	94.5	Very high	10 Å²	10	41.9 Å²	41.9	6%	0.061	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	10.7	172.5	59.4	0	0	0	0	113.5	P317 Y322 A351 D355 G391 R404	P317-T393 HydrophobicContact CG-CG2 4.48Å; Y322-T393 HydrophobicContact CD2-CG2 4.49Å; Y322-T393 HydrophobicContact CE2-CG2 4.49Å; A351-T393 HydrophobicContact CB-CG2 3.42Å; A351-T393 VanDerWaalsContact CB-CG2 3.42Å; D355-T393 WeakPolarHBondContact OD2-CB 3.11Å; D355-T393 PolarHBondContact OD2-N 3.12Å; D355-T393 PolarHBondContact OD2-OG1 3.34Å; G391-T393 VanDerWaalsContact C-N 3.26Å; T393-R404 PolarHBondContact OG1-NH1 3.18Å; T393-R404 PolarHBondContact OG1-NH2 2.82Å
394	G	91.6	Very high	94.5	Very high	5 Å²	5	40.4 Å²	40.4	5%	0.052	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	85.5	-143.1	-178.4	0	0	0	0	0	112.5	N319 G391 V392 L396	N319-G394 PolarHBondContact OD1-N 3.12Å; G391-G394 PolarHBondContact N-O 2.59Å; G391-G394 PolarHBondContact O-N 3.28Å; V392-G394 PolarHBondContact O-N 2.77Å; G394-L396 PolarHBondContact O-N 3.07Å
395	Y	91.8	Very high	94.4	Very high	115 Å²	115	41.5 Å²	41.5	45%	0.451	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	127.6	176.1	179.5	-91	0	0	0	109.8	S388 K397 T429	S388-Y395 WeakPolarHBondContact CB-OH 3.47Å; Y395-K397 HydrophobicContact CE1-CB 4.09Å; Y395-T429 HydrophobicContact CE1-CG2 4.24Å
396	L	93.7	Very high	94.3	Very high	6 Å²	6	39.2 Å²	39.2	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	146.9	171	75.7	89.4	0	0	0	110.6	D355 S388 F389 G394 I398	D355-L396 HydrophobicContact CB-CD2 3.67Å; S388-L396 CarbonylContact C-O 3.56Å; S388-L396 WeakPolarHBondContact CA-O 3.37Å; F389-L396 HydrophobicContact CB-CD1 3.92Å; F389-L396 HydrophobicContact CB-CG 4.02Å; F389-L396 HydrophobicContact CD1-CD2 4.04Å; F389-L396 HydrophobicContact CD1-CG 4.39Å; F389-L396 PolarHBondContact N-O 3.43Å; F389-L396 PolarHBondContact O-N 3.38Å; F389-L396 VanDerWaalsContact O-O 3.12Å; G394-L396 PolarHBondContact O-N 3.07Å; L396-I398 HydrophobicContact CD1-CD1 4.1Å; L396-I398 HydrophobicContact CD1-CG1 4.25Å
397	K	95.5	Very high	94.2	Very high	59 Å²	59	36 Å²	36	26%	0.257	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	126.5	175	-177.7	179.6	178.5	-174.9	0	109.3	R387 Y395 R404 E405 T429	R387-K397 WeakPolarHBondContact O-CA 3.39Å; Y395-K397 HydrophobicContact CE1-CB 4.09Å; K397-R404 CarbonylContact O-C 3.57Å; K397-R404 WeakPolarHBondContact O-CA 3.16Å; K397-E405 HydrophobicContact CB-CG 4.44Å; K397-E405 HydrophobicContact CD-CG 4.46Å; K397-E405 PolarHBondContact O-N 3.03Å; K397-T429 HydrophobicContact CD-CG2 3.45Å; K397-T429 VanDerWaalsContact CD-CG2 3.45Å
398	I	96.9	Very high	94.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	126.3	166.2	-54.8	-53	0	0	0	107	T156 L359 M384 N386 R387 L396 G402 R404	T156-I398 HydrophobicContact CG2-CG2 4.22Å; L359-I398 HydrophobicContact CD2-CD1 4.29Å; L359-I398 HydrophobicContact CD2-CG1 3.54Å; M384-I398 WeakPolarHBondContact O-CB 3.3Å; N386-I398 CarbonylContact C-O 3.24Å; N386-I398 WeakPolarHBondContact CA-O 3.4Å; N386-I398 PolarHBondContact N-O 3.44Å; N386-I398 VanDerWaalsContact N-O 3.12Å; R387-I398 PolarHBondContact N-O 3.22Å; R387-I398 PolarHBondContact O-N 3.05Å; L396-I398 HydrophobicContact CD1-CD1 4.1Å; L396-I398 HydrophobicContact CD1-CG1 4.25Å; I398-G402 VanDerWaalsContact CG2-C 3.48Å; I398-R404 HydrophobicContact CD1-CB 3.75Å; I398-R404 HydrophobicContact CD1-CG 4.41Å
399	D	94.5	Very high	94.2	Very high	16 Å²	16	30.2 Å²	30.2	9%	0.086	16%	0.157	C	C	.	.			trans	-73.4	178.3	179.6	72.8	14.1	0	0	0	112.1	K164 N386 S401 G402 D403	K164-D399 IonicContact NZ-OD2 3.45Å; K164-D399 PolarHBondContact NZ-OD2 2.89Å; N386-D399 PolarHBondContact N-O 2.91Å; D399-S401 PolarHBondContact O-N 3.48Å; D399-S401 VanDerWaalsContact OD1-C 3.27Å; D399-S401 VanDerWaalsContact OD1-CA 3.26Å; D399-S401 WeakPolarHBondContact OD1-CA 3.36Å; D399-S401 VanDerWaalsContact OD1-CB 3.3Å; D399-S401 WeakPolarHBondContact OD1-CB 3.46Å; D399-S401 PolarHBondContact OD1-N 3.13Å; D399-G402 PolarHBondContact O-N 3.39Å; D399-G402 VanDerWaalsContact O-N 3.1Å; D399-G402 PolarHBondContact OD1-N 3.5Å; D399-D403 PolarHBondContact N-O 3.22Å; D399-D403 PolarHBondContact OD1-N 2.79Å
400	S	93.6	Very high	94.3	Very high	86 Å²	86	28.4 Å²	28.4	60%	0.601	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.3	178	54.2	0	0	0	0	113.8	G402	S400-G402 VanDerWaalsContact C-N 3.31Å
401	S	92	Very high	94.3	Very high	51 Å²	51	24.5 Å²	24.5	36%	0.357	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	2	178.1	-40.5	0	0	0	0	111.2	K149 D399	K149-S401 WeakPolarHBondContact CE-O 3.28Å; K149-S401 VanDerWaalsContact CG-O 3.27Å; K149-S401 WeakPolarHBondContact CG-O 3.47Å; D399-S401 PolarHBondContact O-N 3.48Å; D399-S401 VanDerWaalsContact OD1-C 3.27Å; D399-S401 VanDerWaalsContact OD1-CA 3.26Å; D399-S401 WeakPolarHBondContact OD1-CA 3.36Å; D399-S401 VanDerWaalsContact OD1-CB 3.3Å; D399-S401 WeakPolarHBondContact OD1-CB 3.46Å; D399-S401 PolarHBondContact OD1-N 3.13Å
402	G	94.2	Very high	94.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	80.5	18	179.8	0	0	0	0	0	115	T156 R157 W385 I398 D399 S400	T156-G402 WeakPolarHBondContact CA-O 3.39Å; R157-G402 PolarHBondContact N-O 3.3Å; W385-G402 VanDerWaalsContact CD1-CA 3.41Å; W385-G402 VanDerWaalsContact CD2-CA 3.47Å; W385-G402 VanDerWaalsContact NE1-CA 3.3Å; I398-G402 VanDerWaalsContact CG2-C 3.48Å; D399-G402 PolarHBondContact O-N 3.39Å; D399-G402 VanDerWaalsContact O-N 3.1Å; D399-G402 PolarHBondContact OD1-N 3.5Å; S400-G402 VanDerWaalsContact C-N 3.31Å
403	D	96.1	Very high	94.1	Very high	8 Å²	8	24.2 Å²	24.2	4%	0.043	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-116.6	139.9	-179.6	-58.5	-38.2	0	0	0	111.2	K149 R157 D399 E405	K149-D403 WeakPolarHBondContact CE-OD1 3.42Å; K149-D403 IonicContact NZ-OD1 3.34Å; K149-D403 PolarHBondContact NZ-OD1 2.88Å; K149-D403 IonicContact NZ-OD2 3.2Å; R157-D403 IonicContact CZ-OD1 2.75Å; R157-D403 IonicContact CZ-OD2 2.73Å; R157-D403 VanDerWaalsContact NE-CG 3.33Å; R157-D403 IonicContact NE-OD1 2.8Å; R157-D403 PolarHBondContact NE-OD1 3.21Å; R157-D403 IonicContact NE-OD2 3.88Å; R157-D403 IonicContact NH2-OD1 3.04Å; R157-D403 PolarHBondContact NH2-OD1 3.34Å; R157-D403 IonicContact NH2-OD2 3.82Å; R157-D403 PolarHBondContact NH2-OD2 3.09Å; D399-D403 PolarHBondContact N-O 3.22Å; D399-D403 PolarHBondContact OD1-N 2.79Å; D403-E405 PolarHBondContact O-N 2.9Å
404	R	95.9	Very high	94	Very high	28 Å²	28	26.4 Å²	26.4	11%	0.106	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-67.8	131.9	178.9	178.1	172.9	176.7	169.8	7.4	111.7	R157 A158 S352 T393 K397 I398 T406	R157-R404 WeakPolarHBondContact O-CB 3.39Å; R157-R404 PolarHBondContact O-N 3.12Å; A158-R404 WeakPolarHBondContact O-CD 3.42Å; A158-R404 PolarHBondContact O-NH1 3.3Å; S352-R404 PolarHBondContact OG-NH1 3.36Å; S352-R404 VanDerWaalsContact OG-NH1 3.12Å; T393-R404 PolarHBondContact OG1-NH1 3.18Å; T393-R404 PolarHBondContact OG1-NH2 2.82Å; K397-R404 CarbonylContact O-C 3.57Å; K397-R404 WeakPolarHBondContact O-CA 3.16Å; I398-R404 HydrophobicContact CD1-CB 3.75Å; I398-R404 HydrophobicContact CD1-CG 4.41Å; R404-T406 PolarHBondContact O-N 2.98Å; R404-T406 PolarHBondContact O-OG1 3.13Å
405	E	95.3	Very high	93.4	Very high	24 Å²	24	29.1 Å²	29.1	11%	0.112	15%	0.154	C	C	.	.			trans	-64.8	126.2	164.8	-66.4	-60.1	169.8	0	0	109.9	K164 K397 D403	K164-E405 WeakPolarHBondContact CD-OE2 3.22Å; K164-E405 VanDerWaalsContact CE-OE2 3.3Å; K164-E405 WeakPolarHBondContact CE-OE2 3.49Å; K164-E405 IonicContact NZ-OE1 3.64Å; K164-E405 PolarHBondContact NZ-OE1 3.44Å; K164-E405 IonicContact NZ-OE2 3.08Å; K164-E405 PolarHBondContact NZ-OE2 3.24Å; K397-E405 HydrophobicContact CB-CG 4.44Å; K397-E405 HydrophobicContact CD-CG 4.46Å; K397-E405 PolarHBondContact O-N 3.03Å; D403-E405 PolarHBondContact O-N 2.9Å
406	T	94.2	Very high	93.1	Very high	7 Å²	7	31.7 Å²	31.7	4%	0.043	17%	0.17	C	C	.	.			trans	-110	131.6	-170.5	-53	0	0	0	0	110.6	P160 Y314 R404 F408 G428	P160-T406 WeakPolarHBondContact CA-OG1 3.37Å; P160-T406 HydrophobicContact CB-CG2 3.85Å; P160-T406 HydrophobicContact CG-CG2 4.26Å; Y314-T406 HydrophobicContact CD1-CG2 3.66Å; Y314-T406 HydrophobicContact CE1-CG2 3.68Å; R404-T406 PolarHBondContact O-N 2.98Å; R404-T406 PolarHBondContact O-OG1 3.13Å; T406-F408 HydrophobicContact CG2-CD2 4.41Å; T406-F408 HydrophobicContact CG2-CE1 4.34Å; T406-F408 HydrophobicContact CG2-CE2 3.75Å; T406-F408 HydrophobicContact CG2-CZ 3.71Å; T406-G428 WeakPolarHBondContact O-CA 3.02Å
407	D	94.4	Very high	92.7	Very high	43 Å²	43	34.3 Å²	34.3	23%	0.23	19%	0.187	C	C	.	.			trans	-93.8	142.4	176.3	-69.1	-1.7	0	0	0	110.7	K315 Y426 N427 G428	K315-D407 HydrophobicContact CB-CB 3.68Å; K315-D407 HydrophobicContact CD-CB 3.86Å; K315-D407 HydrophobicContact CG-CB 4.39Å; K315-D407 PolarHBondContact N-O 3.07Å; D407-Y426 VanDerWaalsContact CA-O 3.26Å; D407-Y426 WeakPolarHBondContact CA-O 3.45Å; D407-Y426 WeakPolarHBondContact CB-O 3.45Å; D407-N427 WeakPolarHBondContact OD1-CA 3.46Å; D407-G428 PolarHBondContact OD1-N 3.47Å
408	F	95.9	Very high	92.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	155.6	-178.6	-66.2	-88.5	0	0	0	111.3	K164 L165 F168 I312 T313 Y314 T406 N425 Y426	K164-F408 HydrophobicContact CB-CE2 4.2Å; L165-F408 HydrophobicContact CB-CE1 4.12Å; L165-F408 HydrophobicContact CB-CZ 3.78Å; L165-F408 HydrophobicContact CD1-CD1 3.98Å; L165-F408 HydrophobicContact CD1-CE1 3.66Å; L165-F408 HydrophobicContact CD1-CZ 4.09Å; L165-F408 HydrophobicContact CG-CE1 4.45Å; F168-F408 HydrophobicContact CB-CB 4.48Å; F168-F408 HydrophobicContact CB-CD2 3.75Å; F168-F408 HydrophobicContact CB-CE2 4.26Å; F168-F408 HydrophobicContact CB-CG 4.23Å; F168-F408 HydrophobicContact CD1-CB 4.23Å; F168-F408 HydrophobicContact CD1-CG 4.35Å; F168-F408 HydrophobicContact CD2-CB 4.08Å; F168-F408 HydrophobicContact CE1-CB 4.5Å; F168-F408 HydrophobicContact CE2-CB 4.32Å; F168-F408 HydrophobicContact CG-CB 3.99Å; F168-F408 HydrophobicContact CG-CD2 4.18Å; F168-F408 HydrophobicContact CG-CG 4.17Å; I312-F408 HydrophobicContact CG2-CD1 4.35Å; T313-F408 WeakPolarHBondContact O-CA 2.98Å; Y314-F408 AromaticContact CD1-CD1 3.91Å; Y314-F408 HydrophobicContact CD1-CD1 3.91Å; Y314-F408 AromaticContact CD1-CE1 3.49Å; Y314-F408 HydrophobicContact CD1-CE1 3.49Å; Y314-F408 VanDerWaalsContact CD1-CE1 3.49Å; Y314-F408 HydrophobicContact CD1-CZ 4.11Å; Y314-F408 HydrophobicContact CE1-CD1 4.26Å; Y314-F408 AromaticContact CE1-CE1 3.39Å; Y314-F408 HydrophobicContact CE1-CE1 3.39Å; Y314-F408 AromaticContact CE1-CZ 3.78Å; Y314-F408 HydrophobicContact CE1-CZ 3.78Å; T406-F408 HydrophobicContact CG2-CD2 4.41Å; T406-F408 HydrophobicContact CG2-CE1 4.34Å; T406-F408 HydrophobicContact CG2-CE2 3.75Å; T406-F408 HydrophobicContact CG2-CZ 3.71Å; F408-N425 CarbonylContact O-C 3.55Å; F408-N425 WeakPolarHBondContact O-CA 3.38Å; F408-Y426 AromaticContact CD2-CD1 3.95Å; F408-Y426 HydrophobicContact CD2-CD1 3.95Å; F408-Y426 HydrophobicContact CD2-CE1 4.48Å; F408-Y426 PolarHBondContact N-O 2.96Å; F408-Y426 PolarHBondContact O-N 3.22Å
409	S	95	Very high	91.8	Very high	5 Å²	5	32 Å²	32	4%	0.035	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136	174.5	-67.4	0	0	0	0	110.1	T313 K315 L424 N425	T313-S409 PolarHBondContact N-O 3.5Å; T313-S409 PolarHBondContact O-N 2.85Å; K315-S409 WeakPolarHBondContact CA-OG 3.06Å; S409-L424 WeakPolarHBondContact CA-O 3.45Å; S409-N425 PolarHBondContact OG-OD1 3.39Å
410	L	95.7	Very high	91.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	121.2	171.7	-174.6	67.6	0	0	0	109.3	F168 L172 F271 K310 I312 V422 V423 L424 L441	F168-L410 HydrophobicContact CZ-CB 4.38Å; L172-L410 HydrophobicContact CD1-CD2 4.24Å; F271-L410 HydrophobicContact CD1-CD1 3.97Å; F271-L410 HydrophobicContact CE1-CD1 3.77Å; K310-L410 HydrophobicContact CB-CD1 4.03Å; K310-L410 HydrophobicContact CD-CD2 4.49Å; I312-L410 HydrophobicContact CG1-CD1 3.73Å; L410-V422 WeakPolarHBondContact O-CA 3.43Å; L410-V423 HydrophobicContact CD2-CG2 4.42Å; L410-V423 HydrophobicContact CG-CG2 4.44Å; L410-V423 WeakPolarHBondContact O-CG2 3.4Å; L410-V423 PolarHBondContact O-N 2.86Å; L410-L424 HydrophobicContact CB-CB 4.07Å; L410-L424 HydrophobicContact CD2-CD1 4.12Å; L410-L424 PolarHBondContact N-O 3.3Å; L410-L424 PolarHBondContact O-N 3.49Å; L410-L441 HydrophobicContact CD2-CD2 4.06Å
411	W	93.9	Very high	91.5	Very high	39 Å²	39	28.5 Å²	28.5	15%	0.148	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	136.3	175.7	-60.6	71.6	0	0	0	110.1	L280 R289 K310 I311 T313 F420 S421 V422	L280-W411 HydrophobicContact CD1-CD2 3.73Å; L280-W411 HydrophobicContact CD1-CE3 4.11Å; L280-W411 HydrophobicContact CD1-CG 4.19Å; L280-W411 HydrophobicContact CD1-CH2 4.21Å; L280-W411 HydrophobicContact CD1-CZ2 3.82Å; L280-W411 HydrophobicContact CD1-CZ3 4.34Å; L280-W411 HydrophobicContact CD2-CE3 4.48Å; R289-W411 HydrophobicContact CG-CZ3 4.19Å; K310-W411 WeakPolarHBondContact CA-O 2.93Å; I311-W411 HydrophobicContact CB-CB 4.12Å; I311-W411 PolarHBondContact N-O 3.4Å; I311-W411 PolarHBondContact O-N 2.97Å; T313-W411 PolarHBondContact OG1-NE1 3.01Å; W411-F420 HydrophobicContact CB-CD1 4.2Å; W411-F420 HydrophobicContact CE3-CB 4.39Å; W411-S421 WeakPolarHBondContact CA-O 3.04Å; W411-V422 HydrophobicContact CD2-CG2 3.67Å; W411-V422 HydrophobicContact CE3-CG2 4.06Å; W411-V422 HydrophobicContact CG-CG2 4.25Å; W411-V422 HydrophobicContact CH2-CG2 3.91Å; W411-V422 HydrophobicContact CZ2-CG2 3.52Å; W411-V422 HydrophobicContact CZ3-CG2 4.17Å
412	D	93.8	Very high	91.5	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.011	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	154.2	179.8	-155.5	-0.9	0	0	0	110.4	K310 F420 S421 V423 L441 N442	K310-D412 IonicContact NZ-OD1 2.79Å; K310-D412 PolarHBondContact NZ-OD1 2.92Å; K310-D412 IonicContact NZ-OD2 3.48Å; K310-D412 PolarHBondContact NZ-OD2 2.86Å; D412-F420 WeakPolarHBondContact O-CA 3.25Å; D412-S421 PolarHBondContact N-O 3.38Å; D412-S421 PolarHBondContact O-N 2.91Å; D412-V423 HydrophobicContact CB-CB 4.33Å; D412-V423 HydrophobicContact CB-CG1 3.66Å; D412-V423 HydrophobicContact CB-CG2 3.66Å; D412-L441 WeakPolarHBondContact OD2-CA 3.13Å; D412-N442 PolarHBondContact OD2-N 3.31Å
413	M	90.6	Very high	91.4	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.025	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	128.9	178.7	-176.5	-174.7	-76	0	0	110.5	F306 Q307 P415 F420	F306-M413 HydrophobicContact CB-CE 3.41Å; F306-M413 VanDerWaalsContact CB-CE 3.41Å; Q307-M413 HydrophobicContact CG-SD 4Å; M413-P415 WeakPolarHBondContact O-CD 3.12Å; M413-F420 HydrophobicContact CB-CD2 4.23Å; M413-F420 HydrophobicContact CB-CE1 4.38Å; M413-F420 HydrophobicContact CB-CE2 3.8Å; M413-F420 HydrophobicContact CB-CZ 3.87Å; M413-F420 HydrophobicContact CE-CD2 4.41Å; M413-F420 HydrophobicContact CE-CE2 3.5Å; M413-F420 VanDerWaalsContact CE-CE2 3.5Å; M413-F420 HydrophobicContact CE-CZ 4.12Å; M413-F420 HydrophobicContact CG-CE2 4.16Å
414	D	88.4	Confident	91.3	Very high	56 Å²	56	27.2 Å²	27.2	30%	0.299	15%	0.145	S	C	.	.			trans	-73.9	117.7	161.4	172.1	12.1	0	0	0	109.6	E416 T417 G418 A419	D414-E416 VanDerWaalsContact C-N 3.27Å; D414-E416 PolarHBondContact O-N 2.95Å; D414-E416 PolarHBondContact OD1-N 3.44Å; D414-E416 VanDerWaalsContact OD1-N 3.16Å; D414-T417 WeakPolarHBondContact CB-OG1 3.12Å; D414-T417 VanDerWaalsContact CG-OG1 3.28Å; D414-T417 WeakPolarHBondContact OD2-CG2 3.23Å; D414-T417 PolarHBondContact OD2-OG1 3.14Å; D414-G418 VanDerWaalsContact O-CA 3.23Å; D414-G418 WeakPolarHBondContact O-CA 3.49Å; D414-G418 PolarHBondContact O-N 3.46Å; D414-A419 PolarHBondContact N-O 3.23Å
415	P	80.9	Confident	91.3	Very high	62 Å²	62	27.9 Å²	27.9	40%	0.403	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-29.6	-174.2	21.7	-28.6	0	0	0	113.3	R303 M413 N442	R303-P415 PolarHBondContact NH2-O 2.97Å; M413-P415 WeakPolarHBondContact O-CD 3.12Å; P415-N442 VanDerWaalsContact CD-ND2 3.32Å; P415-N442 WeakPolarHBondContact CD-ND2 3.34Å; P415-N442 VanDerWaalsContact CG-ND2 3.31Å; P415-N442 WeakPolarHBondContact CG-ND2 3.28Å
416	E	84.3	Confident	91.3	Very high	168 Å²	168	26.9 Å²	26.9	79%	0.785	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-50.5	-178.6	-63.2	-172.5	179.3	0	0	111.1	R303 D414	R303-E416 PolarHBondContact NH2-O 3.43Å; D414-E416 VanDerWaalsContact C-N 3.27Å; D414-E416 PolarHBondContact O-N 2.95Å; D414-E416 PolarHBondContact OD1-N 3.44Å; D414-E416 VanDerWaalsContact OD1-N 3.16Å
417	T	84.8	Confident	91.3	Very high	62 Å²	62	29.2 Å²	29.2	38%	0.38	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-19.5	-174	63	0	0	0	0	113.6	D414 A419	D414-T417 WeakPolarHBondContact CB-OG1 3.12Å; D414-T417 VanDerWaalsContact CG-OG1 3.28Å; D414-T417 WeakPolarHBondContact OD2-CG2 3.23Å; D414-T417 PolarHBondContact OD2-OG1 3.14Å; T417-A419 PolarHBondContact O-N 3.32Å; T417-A419 WeakPolarHBondContact OG1-CB 3.46Å; T417-A419 PolarHBondContact OG1-N 2.92Å
418	G	85.6	Confident	91.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.147	C	C	.	.			trans	69	7.9	-169	0	0	0	0	0	113.5	W292 D414	W292-G418 PolarHBondContact NE1-O 3.43Å; D414-G418 VanDerWaalsContact O-CA 3.23Å; D414-G418 WeakPolarHBondContact O-CA 3.49Å; D414-G418 PolarHBondContact O-N 3.46Å
419	A	89.1	Confident	90.8	Very high	11 Å²	11	29 Å²	29	9%	0.091	16%	0.159	C	C	.	.			trans	-84.3	140.5	-177.3	0	0	0	0	0	111.3	P288 R289 D414 T417	P288-A419 HydrophobicContact CB-CB 3.46Å; P288-A419 VanDerWaalsContact CB-CB 3.46Å; R289-A419 WeakPolarHBondContact O-CA 3.23Å; D414-A419 PolarHBondContact N-O 3.23Å; T417-A419 PolarHBondContact O-N 3.32Å; T417-A419 WeakPolarHBondContact OG1-CB 3.46Å; T417-A419 PolarHBondContact OG1-N 2.92Å
420	F	90.9	Very high	90.6	Very high	5 Å²	5	31.4 Å²	31.4	2%	0.022	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	135	173.3	-83.8	-108.1	0	0	0	110.7	R289 P291 W292 F306 I311 W411 D412 M413	R289-F420 PolarHBondContact O-N 3.5Å; P291-F420 HydrophobicContact CG-CB 4.35Å; P291-F420 HydrophobicContact CG-CD1 4.34Å; P291-F420 HydrophobicContact CG-CD2 3.4Å; P291-F420 VanDerWaalsContact CG-CD2 3.4Å; P291-F420 HydrophobicContact CG-CE2 3.65Å; P291-F420 HydrophobicContact CG-CG 3.76Å; P291-F420 HydrophobicContact CG-CZ 4.25Å; W292-F420 AromaticContact CD1-CE2 3.93Å; F306-F420 HydrophobicContact CB-CE2 4.23Å; F306-F420 HydrophobicContact CB-CZ 4.16Å; F306-F420 AromaticContact CD1-CE2 3.95Å; F306-F420 HydrophobicContact CD1-CE2 3.95Å; F306-F420 AromaticContact CD1-CZ 3.8Å; F306-F420 HydrophobicContact CD1-CZ 3.8Å; F306-F420 HydrophobicContact CG-CZ 4.49Å; I311-F420 HydrophobicContact CD1-CD1 3.76Å; I311-F420 HydrophobicContact CD1-CE1 3.86Å; I311-F420 HydrophobicContact CD1-CG 4.36Å; I311-F420 HydrophobicContact CG1-CD1 4.14Å; I311-F420 HydrophobicContact CG1-CE1 3.97Å; W411-F420 HydrophobicContact CB-CD1 4.2Å; W411-F420 HydrophobicContact CE3-CB 4.39Å; D412-F420 WeakPolarHBondContact O-CA 3.25Å; M413-F420 HydrophobicContact CB-CD2 4.23Å; M413-F420 HydrophobicContact CB-CE1 4.38Å; M413-F420 HydrophobicContact CB-CE2 3.8Å; M413-F420 HydrophobicContact CB-CZ 3.87Å; M413-F420 HydrophobicContact CE-CD2 4.41Å; M413-F420 HydrophobicContact CE-CE2 3.5Å; M413-F420 VanDerWaalsContact CE-CE2 3.5Å; M413-F420 HydrophobicContact CE-CZ 4.12Å; M413-F420 HydrophobicContact CG-CE2 4.16Å
421	S	90.9	Very high	90.4	Very high	23 Å²	23	35.1 Å²	35.1	16%	0.161	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	152	177.9	81.1	0	0	0	0	111.2	W411 D412 V423 R439	W411-S421 WeakPolarHBondContact CA-O 3.04Å; D412-S421 PolarHBondContact N-O 3.38Å; D412-S421 PolarHBondContact O-N 2.91Å; S421-V423 PolarHBondContact O-N 3.3Å; S421-R439 VanDerWaalsContact CB-NH1 3.28Å; S421-R439 PolarHBondContact OG-NH1 3.29Å
422	V	91.5	Very high	90.3	Very high	24 Å²	24	39.1 Å²	39.1	15%	0.145	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	127.8	178	-175.7	0	0	0	0	110	L410 W411 N425 V436 R439	L410-V422 WeakPolarHBondContact O-CA 3.43Å; W411-V422 HydrophobicContact CD2-CG2 3.67Å; W411-V422 HydrophobicContact CE3-CG2 4.06Å; W411-V422 HydrophobicContact CG-CG2 4.25Å; W411-V422 HydrophobicContact CH2-CG2 3.91Å; W411-V422 HydrophobicContact CZ2-CG2 3.52Å; W411-V422 HydrophobicContact CZ3-CG2 4.17Å; V422-N425 WeakPolarHBondContact CG1-OD1 3.46Å; V422-V436 HydrophobicContact CG1-CG2 4.01Å; V422-R439 VanDerWaalsContact O-CD 3.3Å; V422-R439 WeakPolarHBondContact O-CD 3.4Å; V422-R439 PolarHBondContact O-NH1 3.02Å; V422-R439 VanDerWaalsContact O-NH1 3.08Å
423	V	92.9	Very high	90.2	Very high	6 Å²	6	40.4 Å²	40.4	4%	0.036	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	-31.7	178.6	-62.7	0	0	0	0	113	L410 D412 S421 V436 R439 L441	L410-V423 HydrophobicContact CD2-CG2 4.42Å; L410-V423 HydrophobicContact CG-CG2 4.44Å; L410-V423 WeakPolarHBondContact O-CG2 3.4Å; L410-V423 PolarHBondContact O-N 2.86Å; D412-V423 HydrophobicContact CB-CB 4.33Å; D412-V423 HydrophobicContact CB-CG1 3.66Å; D412-V423 HydrophobicContact CB-CG2 3.66Å; S421-V423 PolarHBondContact O-N 3.3Å; V423-V436 PolarHBondContact O-N 3.39Å; V423-R439 HydrophobicContact CG1-CB 4.2Å; V423-L441 HydrophobicContact CG2-CD1 4.4Å; V423-L441 HydrophobicContact CG2-CG 4.2Å
424	L	94.1	Very high	90.3	Very high	1 Å²	1	44 Å²	44	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	142.3	173.8	-64.7	-177.6	0	0	0	110.5	L172 R175 S409 L410 L433 A435 L441	L172-L424 HydrophobicContact CD1-CD1 4.21Å; R175-L424 VanDerWaalsContact NH1-CD2 3.31Å; S409-L424 WeakPolarHBondContact CA-O 3.45Å; L410-L424 HydrophobicContact CB-CB 4.07Å; L410-L424 HydrophobicContact CD2-CD1 4.12Å; L410-L424 PolarHBondContact N-O 3.3Å; L410-L424 PolarHBondContact O-N 3.49Å; L424-L433 HydrophobicContact CD1-CD2 4.47Å; L424-A435 HydrophobicContact CD2-CB 3.84Å; L424-L441 HydrophobicContact CD1-CD1 3.68Å; L424-L441 HydrophobicContact CD2-CD1 4.06Å; L424-L441 HydrophobicContact CG-CD1 3.72Å
425	N	94.8	Very high	90.3	Very high	42 Å²	42	43.6 Å²	43.6	23%	0.225	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	140.4	165.1	-72.6	-42.8	0	0	0	109.4	F408 S409 V422 L433 V434	F408-N425 CarbonylContact O-C 3.55Å; F408-N425 WeakPolarHBondContact O-CA 3.38Å; S409-N425 PolarHBondContact OG-OD1 3.39Å; V422-N425 WeakPolarHBondContact CG1-OD1 3.46Å; N425-L433 CarbonylContact O-C 3.53Å; N425-V434 PolarHBondContact N-O 2.89Å; N425-V434 PolarHBondContact O-N 3.31Å
426	Y	95.5	Very high	90.7	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.016	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.1	173.1	177.2	-105	0	0	0	109.5	F168 A171 D407 F408 Q431 L433	F168-Y426 HydrophobicContact CB-CD1 3.84Å; F168-Y426 HydrophobicContact CB-CE1 3.97Å; F168-Y426 HydrophobicContact CB-CG 4.13Å; F168-Y426 HydrophobicContact CD2-CD1 4.05Å; F168-Y426 AromaticContact CD2-CD2 3.95Å; F168-Y426 HydrophobicContact CD2-CD2 3.95Å; F168-Y426 AromaticContact CD2-CG 3.52Å; F168-Y426 HydrophobicContact CD2-CG 3.52Å; F168-Y426 HydrophobicContact CE2-CG 4.4Å; F168-Y426 HydrophobicContact CG-CD1 4.38Å; F168-Y426 HydrophobicContact CG-CG 4.28Å; A171-Y426 HydrophobicContact CB-CD2 4.22Å; A171-Y426 HydrophobicContact CB-CE2 3.75Å; D407-Y426 VanDerWaalsContact CA-O 3.26Å; D407-Y426 WeakPolarHBondContact CA-O 3.45Å; D407-Y426 WeakPolarHBondContact CB-O 3.45Å; F408-Y426 AromaticContact CD2-CD1 3.95Å; F408-Y426 HydrophobicContact CD2-CD1 3.95Å; F408-Y426 HydrophobicContact CD2-CE1 4.48Å; F408-Y426 PolarHBondContact N-O 2.96Å; F408-Y426 PolarHBondContact O-N 3.22Å; Y426-Q431 HydrophobicContact CE2-CB 4.45Å; Y426-L433 HydrophobicContact CD2-CD2 3.84Å; Y426-L433 HydrophobicContact CD2-CG 4.15Å; Y426-L433 HydrophobicContact CG-CD2 4.28Å
427	N	93.8	Very high	90.4	Very high	55 Å²	55	40.4 Å²	40.4	29%	0.294	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	114.4	171.7	-178	-33	0	0	0	108.7	D407 T429 S430 Q431 E432	D407-N427 WeakPolarHBondContact OD1-CA 3.46Å; N427-T429 PolarHBondContact O-N 3.45Å; N427-T429 WeakPolarHBondContact OD1-CA 3.42Å; N427-T429 VanDerWaalsContact OD1-CB 3.32Å; N427-T429 WeakPolarHBondContact OD1-CB 3.39Å; N427-T429 PolarHBondContact OD1-N 2.95Å; N427-S430 WeakPolarHBondContact CB-OG 3.23Å; N427-S430 PolarHBondContact OD1-N 3.38Å; N427-Q431 VanDerWaalsContact O-CA 3.26Å; N427-Q431 WeakPolarHBondContact O-CA 3.23Å; N427-Q431 PolarHBondContact O-N 3.03Å; N427-E432 PolarHBondContact N-O 3.32Å; N427-E432 VanDerWaalsContact N-O 3.11Å
428	G	90.7	Very high	90	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.01	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-27.3	-178.3	0	0	0	0	0	113.4	T406 D407	T406-G428 WeakPolarHBondContact O-CA 3.02Å; D407-G428 PolarHBondContact OD1-N 3.47Å
429	T	89.9	Confident	89.9	Confident	39 Å²	39	47.3 Å²	47.3	24%	0.239	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-44.9	-179.1	-62.7	0	0	0	0	112.7	Y395 K397 N427	Y395-T429 HydrophobicContact CE1-CG2 4.24Å; K397-T429 HydrophobicContact CD-CG2 3.45Å; K397-T429 VanDerWaalsContact CD-CG2 3.45Å; N427-T429 PolarHBondContact O-N 3.45Å; N427-T429 WeakPolarHBondContact OD1-CA 3.42Å; N427-T429 VanDerWaalsContact OD1-CB 3.32Å; N427-T429 WeakPolarHBondContact OD1-CB 3.39Å; N427-T429 PolarHBondContact OD1-N 2.95Å
430	S	90.9	Very high	89.6	Confident	55 Å²	55	55.8 Å²	55.8	39%	0.385	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-16.7	176.9	63.7	0	0	0	0	113	N427 E432	N427-S430 WeakPolarHBondContact CB-OG 3.23Å; N427-S430 PolarHBondContact OD1-N 3.38Å; S430-E432 PolarHBondContact O-N 3.33Å
431	Q	90.4	Very high	89.5	Confident	78 Å²	78	57 Å²	57	36%	0.364	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	29.9	-173.1	-52.8	-170.1	-26.4	0	0	113.3	Y426 N427	Y426-Q431 HydrophobicContact CE2-CB 4.45Å; N427-Q431 VanDerWaalsContact O-CA 3.26Å; N427-Q431 WeakPolarHBondContact O-CA 3.23Å; N427-Q431 PolarHBondContact O-N 3.03Å
432	E	91.9	Very high	89.2	Confident	123 Å²	123	58.4 Å²	58.4	58%	0.575	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	144.1	-177.9	-66.2	-177.3	164.2	0	0	112.3	N427 S430	N427-E432 PolarHBondContact N-O 3.32Å; N427-E432 VanDerWaalsContact N-O 3.11Å; S430-E432 PolarHBondContact O-N 3.33Å
433	L	92.3	Very high	89	Confident	28 Å²	28	58.4 Å²	58.4	15%	0.147	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	105.8	172.3	-73.2	169.4	0	0	0	110.5	F168 A171 L172 R175 L424 N425 Y426	F168-L433 HydrophobicContact CD2-CD2 3.93Å; F168-L433 HydrophobicContact CE2-CD2 3.61Å; A171-L433 HydrophobicContact CB-CD1 4.09Å; A171-L433 HydrophobicContact CB-CG 4.23Å; A171-L433 WeakPolarHBondContact O-CD1 3.46Å; L172-L433 HydrophobicContact CB-CD1 4.37Å; L172-L433 HydrophobicContact CD1-CD1 4.3Å; R175-L433 HydrophobicContact CB-CD1 4.05Å; R175-L433 PolarHBondContact NH1-O 2.79Å; L424-L433 HydrophobicContact CD1-CD2 4.47Å; N425-L433 CarbonylContact O-C 3.53Å; Y426-L433 HydrophobicContact CD2-CD2 3.84Å; Y426-L433 HydrophobicContact CD2-CG 4.15Å; Y426-L433 HydrophobicContact CG-CD2 4.28Å
434	V	91.4	Very high	88.5	Confident	82 Å²	82	61 Å²	61	50%	0.497	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	123.5	178.7	-174	0	0	0	0	109.4	N425	N425-V434 PolarHBondContact N-O 2.89Å; N425-V434 PolarHBondContact O-N 3.31Å
435	A	89.8	Confident	87.7	Confident	47 Å²	47	64.4 Å²	64.4	39%	0.388	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	139	173.6	0	0	0	0	0	111	L424 S437	L424-A435 HydrophobicContact CD2-CB 3.84Å; A435-S437 PolarHBondContact O-N 3.08Å
436	V	88.5	Confident	87.1	Confident	42 Å²	42	65.5 Å²	65.5	26%	0.255	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-73.4	126.3	174	-179.3	0	0	0	0	108.7	V422 V423 G438 R439	V422-V436 HydrophobicContact CG1-CG2 4.01Å; V423-V436 PolarHBondContact O-N 3.39Å; V436-G438 PolarHBondContact O-N 3.22Å; V436-R439 PolarHBondContact O-N 3.08Å
437	S	78.9	Confident	86.6	Confident	120 Å²	120	71.8 Å²	71.8	84%	0.839	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	127.9	-176.6	-63.1	0	0	0	0	112.4	A435 R439	A435-S437 PolarHBondContact O-N 3.08Å; S437-R439 VanDerWaalsContact C-N 3.33Å
438	G	76.3	Confident	86.5	Confident	91 Å²	91	70.9 Å²	70.9	94%	0.938	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	0.8	179.1	0	0	0	0	0	115.4	V436	V436-G438 PolarHBondContact O-N 3.22Å
439	R	82.3	Confident	86.5	Confident	116 Å²	116	70.9 Å²	70.9	44%	0.438	41%	0.411	S	S	.	.			trans	-121.8	144	177.8	-63	-176.2	178.1	167.1	-1.5	111.6	S421 V422 V423 V436 S437	S421-R439 VanDerWaalsContact CB-NH1 3.28Å; S421-R439 PolarHBondContact OG-NH1 3.29Å; V422-R439 VanDerWaalsContact O-CD 3.3Å; V422-R439 WeakPolarHBondContact O-CD 3.4Å; V422-R439 PolarHBondContact O-NH1 3.02Å; V422-R439 VanDerWaalsContact O-NH1 3.08Å; V423-R439 HydrophobicContact CG1-CB 4.2Å; V436-R439 PolarHBondContact O-N 3.08Å; S437-R439 VanDerWaalsContact C-N 3.33Å
440	K	83.8	Confident	86.4	Confident	189 Å²	189	71.8 Å²	71.8	82%	0.822	42%	0.418	S	S	*	.			trans	-129.2	156.5	176.9	-66.9	-177.4	179.8	179.1	0	109	N442	K440-N442 PolarHBondContact O-N 3.45Å
441	L	87.9	Confident	86.3	Confident	31 Å²	31	69.9 Å²	69.9	16%	0.162	40%	0.403	C	S	.	.			trans	-63.1	131.5	170.1	-79	85	0	0	0	108.8	L176 L410 D412 V423 L424 W443	L176-L441 HydrophobicContact CD2-CD2 4.45Å; L410-L441 HydrophobicContact CD2-CD2 4.06Å; D412-L441 WeakPolarHBondContact OD2-CA 3.13Å; V423-L441 HydrophobicContact CG2-CD1 4.4Å; V423-L441 HydrophobicContact CG2-CG 4.2Å; L424-L441 HydrophobicContact CD1-CD1 3.68Å; L424-L441 HydrophobicContact CD2-CD1 4.06Å; L424-L441 HydrophobicContact CG-CD1 3.72Å; L441-W443 HydrophobicContact CB-CZ2 4.46Å; L441-W443 HydrophobicContact CD2-CZ2 3.67Å
442	N	86.4	Confident	86.2	Confident	52 Å²	52	67.9 Å²	67.9	28%	0.278	39%	0.394	S	S	.	.			trans	-92.3	135.3	175.3	-171.8	32.7	0	0	0	109.8	K310 D412 P415 K440	K310-N442 PolarHBondContact NZ-O 2.97Å; D412-N442 PolarHBondContact OD2-N 3.31Å; P415-N442 VanDerWaalsContact CD-ND2 3.32Å; P415-N442 WeakPolarHBondContact CD-ND2 3.34Å; P415-N442 VanDerWaalsContact CG-ND2 3.31Å; P415-N442 WeakPolarHBondContact CG-ND2 3.28Å; K440-N442 PolarHBondContact O-N 3.45Å
443	W	87.2	Confident	85.8	Confident	24 Å²	24	63.1 Å²	63.1	9%	0.091	37%	0.374	C	S	.	.			trans	-133.2	131.6	176.9	-61.7	111.9	0	0	0	108.1	L176 W178 V269 K310 L441 L445 G446 Y447 P448	L176-W443 HydrophobicContact CD1-CH2 4.4Å; L176-W443 HydrophobicContact CD1-CZ2 4.12Å; L176-W443 HydrophobicContact CD2-CZ2 4.1Å; W178-W443 AromaticContact CH2-CH2 3.99Å; W178-W443 HydrophobicContact CH2-CH2 3.99Å; W178-W443 HydrophobicContact CZ2-CH2 4.05Å; V269-W443 HydrophobicContact CB-CZ3 4.08Å; V269-W443 HydrophobicContact CG2-CH2 4.11Å; V269-W443 HydrophobicContact CG2-CZ3 3.77Å; K310-W443 HydrophobicContact CD-CH2 4.3Å; L441-W443 HydrophobicContact CB-CZ2 4.46Å; L441-W443 HydrophobicContact CD2-CZ2 3.67Å; W443-L445 PolarHBondContact O-N 3.5Å; W443-L445 VanDerWaalsContact O-N 3.15Å; W443-G446 PolarHBondContact O-N 3.2Å; W443-Y447 VanDerWaalsContact CB-O 3.32Å; W443-Y447 WeakPolarHBondContact CB-O 3.4Å; W443-Y447 VanDerWaalsContact CG-C 3.5Å; W443-P448 HydrophobicContact CD2-CB 4.14Å; W443-P448 HydrophobicContact CE3-CB 4.43Å; W443-P448 HydrophobicContact CH2-CB 3.96Å; W443-P448 HydrophobicContact CZ2-CB 3.64Å; W443-P448 HydrophobicContact CZ3-CB 4.35Å
444	P	80.9	Confident	85.2	Confident	60 Å²	60	71.3 Å²	71.3	39%	0.39	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-36.8	-178.3	-29.8	37.2	0	0	0	114.2
445	L	77.6	Confident	84.7	Confident	74 Å²	74	69.1 Å²	69.1	39%	0.387	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	7.4	177.5	-62.6	-179.6	0	0	0	114.1	E266 W443 Y447	E266-L445 HydrophobicContact CB-CD1 3.67Å; E266-L445 HydrophobicContact CB-CG 4.14Å; E266-L445 HydrophobicContact CG-CD1 3.9Å; E266-L445 HydrophobicContact CG-CD2 4.04Å; E266-L445 HydrophobicContact CG-CG 3.87Å; W443-L445 PolarHBondContact O-N 3.5Å; W443-L445 VanDerWaalsContact O-N 3.15Å; L445-Y447 VanDerWaalsContact C-N 3.32Å; L445-Y447 HydrophobicContact CB-CD1 4.42Å; L445-Y447 HydrophobicContact CB-CE1 4Å; L445-Y447 VanDerWaalsContact O-CD1 3.27Å; L445-Y447 WeakPolarHBondContact O-CD1 3.09Å; L445-Y447 WeakPolarHBondContact O-CE1 3.12Å; L445-Y447 PolarHBondContact O-N 2.77Å
446	G	82.3	Confident	84.3	Confident	64 Å²	64	68.3 Å²	68.3	66%	0.66	39%	0.393	S	S	*	.	S	Bend	trans	84	-9.5	-178.8	0	0	0	0	0	115.9	W443	W443-G446 PolarHBondContact O-N 3.2Å
447	Y	86.3	Confident	84	Confident	137 Å²	137	67.9 Å²	67.9	54%	0.537	39%	0.387	S	S	.	.	S	Bend	trans	-138.6	156.2	176.6	59	-89.7	0	0	0	111.4	W443 L445	W443-Y447 VanDerWaalsContact CB-O 3.32Å; W443-Y447 WeakPolarHBondContact CB-O 3.4Å; W443-Y447 VanDerWaalsContact CG-C 3.5Å; L445-Y447 VanDerWaalsContact C-N 3.32Å; L445-Y447 HydrophobicContact CB-CD1 4.42Å; L445-Y447 HydrophobicContact CB-CE1 4Å; L445-Y447 VanDerWaalsContact O-CD1 3.27Å; L445-Y447 WeakPolarHBondContact O-CD1 3.09Å; L445-Y447 WeakPolarHBondContact O-CE1 3.12Å; L445-Y447 PolarHBondContact O-N 2.77Å
448	P	90.1	Very high	83.8	Confident	36 Å²	36	67.8 Å²	67.8	23%	0.234	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-64.3	142.3	178.1	25.5	-34.1	0	0	0	111.8	L176 W178 W443	L176-P448 HydrophobicContact CD2-CB 4.46Å; L176-P448 HydrophobicContact CD2-CG 4.35Å; W178-P448 HydrophobicContact CZ2-CB 3.96Å; W443-P448 HydrophobicContact CD2-CB 4.14Å; W443-P448 HydrophobicContact CE3-CB 4.43Å; W443-P448 HydrophobicContact CH2-CB 3.96Å; W443-P448 HydrophobicContact CZ2-CB 3.64Å; W443-P448 HydrophobicContact CZ3-CB 4.35Å
449	P	90.6	Very high	83.3	Confident	1 Å²	1	67 Å²	67	1%	0.006	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-62.6	145.4	173.4	26	-32.9	0	0	0	110.6	W178 D267 V269	W178-P449 PolarHBondContact NE1-O 3.31Å; D267-P449 VanDerWaalsContact C-CB 3.5Å; D267-P449 WeakPolarHBondContact O-CB 3.43Å; V269-P449 HydrophobicContact CB-CG 4.07Å; V269-P449 HydrophobicContact CG1-CG 4.09Å
450	P	89.8	Confident	82.5	Confident	58 Å²	58	69.7 Å²	69.7	38%	0.377	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-67.1	147.5	173.3	30.5	-34.7	0	0	0	110.5	R240 I452	R240-P450 WeakPolarHBondContact CB-O 3.48Å; P450-I452 VanDerWaalsContact C-N 3.28Å; P450-I452 WeakPolarHBondContact CB-O 3.05Å; P450-I452 PolarHBondContact O-N 2.97Å
451	D	88.4	Confident	81.6	Confident	14 Å²	14	65.4 Å²	65.4	8%	0.075	36%	0.355	C	S	.	.	S	Bend	trans	-73.4	-21.1	-178.7	65.2	-32.2	0	0	0	113.4	W178 E179 R180 Q181 V241 F457	W178-D451 HydrophobicContact CB-CB 4.02Å; W178-D451 HydrophobicContact CG-CB 4.06Å; E179-D451 PolarHBondContact N-OD2 3.04Å; R180-D451 VanDerWaalsContact CA-OD2 3.32Å; R180-D451 WeakPolarHBondContact CA-OD2 3.39Å; R180-D451 WeakPolarHBondContact CB-OD2 3.38Å; R180-D451 PolarHBondContact N-OD2 3.34Å; Q181-D451 PolarHBondContact N-OD2 2.95Å; V241-D451 HydrophobicContact CG2-CB 3.96Å; D451-F457 WeakPolarHBondContact O-CZ 3.14Å
452	I	87.4	Confident	80.3	Confident	36 Å²	36	69.5 Å²	69.5	19%	0.185	38%	0.384	C	S	.	.	S	Bend	trans	-116	138	168.1	-55.9	-157.1	0	0	0	109.8	R180 Q181 P450 F457	R180-I452 HydrophobicContact CB-CD1 3.49Å; R180-I452 VanDerWaalsContact CB-CD1 3.49Å; R180-I452 HydrophobicContact CB-CG1 3.77Å; R180-I452 HydrophobicContact CG-CD1 4.05Å; R180-I452 HydrophobicContact CG-CG1 4.39Å; Q181-I452 HydrophobicContact CB-CG1 4.46Å; P450-I452 VanDerWaalsContact C-N 3.28Å; P450-I452 WeakPolarHBondContact CB-O 3.05Å; P450-I452 PolarHBondContact O-N 2.97Å; I452-F457 HydrophobicContact CB-CE2 4.28Å; I452-F457 HydrophobicContact CD1-CE2 4.38Å; I452-F457 HydrophobicContact CG1-CE2 4Å; I452-F457 HydrophobicContact CG2-CD2 4.27Å; I452-F457 HydrophobicContact CG2-CE2 4.07Å
453	P	84.7	Confident	79.2	Confident	24 Å²	24	69.8 Å²	69.8	16%	0.156	39%	0.393	C	S	.	.			trans	-57.5	152.6	170.9	-21	32.9	0	0	0	111.6	R240 C455 G456 F457	R240-P453 HydrophobicContact CG-CG 4.22Å; R240-P453 VanDerWaalsContact CZ-CG 3.41Å; R240-P453 VanDerWaalsContact NH2-CG 3.3Å; P453-C455 PolarHBondContact O-N 3.44Å; P453-G456 PolarHBondContact O-N 3.35Å; P453-F457 HydrophobicContact CG-CD1 4.01Å; P453-F457 HydrophobicContact CG-CE1 4.02Å; P453-F457 HydrophobicContact CG-CG 4.42Å; P453-F457 HydrophobicContact CG-CZ 4.43Å
454	K	79.6	Confident	78.2	Confident	199 Å²	199	71.1 Å²	71.1	87%	0.865	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-35.3	-180	-68.9	-179.8	-179.1	172.1	0	113.7
455	C	80.1	Confident	76.9	Confident	36 Å²	36	73.2 Å²	73.2	24%	0.243	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	15.6	-177.7	-56.4	0	0	0	0	114.6	P453 N459 C464	P453-C455 PolarHBondContact O-N 3.44Å; C455-N459 WeakPolarHBondContact CB-OD1 3.5Å; C455-C464 WeakPolarHBondContact CA-SG 3.31Å; C455-C464 HydrophobicContact CB-CB 3.61Å; C455-C464 WeakPolarHBondContact CB-SG 3.06Å; C455-C464 WeakPolarHBondContact SG-CB 3.5Å; C455-C464 CovalentContact SG-SG 2.03Å; C455-C464 PolarHBondContact SG-SG 3.23Å
456	G	80.8	Confident	75.3	Confident	30 Å²	30	77 Å²	77	31%	0.309	43%	0.43	S	S	.	.			trans	73.5	173.3	-171.6	0	0	0	0	0	113	P453	P453-G456 PolarHBondContact O-N 3.35Å
457	F	81.9	Confident	73.7	Confident	33 Å²	33	80.4 Å²	80.4	15%	0.145	43%	0.433	C	S	.	.	S	Bend	trans	-77.1	-35.4	-173.7	-75.3	-79.4	0	0	0	114	Q181 R237 G239 R240 D451 I452 P453	Q181-F457 HydrophobicContact CB-CE2 4.21Å; Q181-F457 VanDerWaalsContact CD-CE2 3.42Å; Q181-F457 HydrophobicContact CG-CE2 4.18Å; Q181-F457 HydrophobicContact CG-CZ 4.4Å; R237-F457 VanDerWaalsContact C-CD1 3.49Å; R237-F457 VanDerWaalsContact O-CB 3.31Å; R237-F457 WeakPolarHBondContact O-CB 3.41Å; R237-F457 WeakPolarHBondContact O-CD1 3.5Å; R237-F457 WeakPolarHBondContact O-CG 3.42Å; G239-F457 VanDerWaalsContact N-CE1 3.32Å; R240-F457 HydrophobicContact CG-CE1 4.44Å; D451-F457 WeakPolarHBondContact O-CZ 3.14Å; I452-F457 HydrophobicContact CB-CE2 4.28Å; I452-F457 HydrophobicContact CD1-CE2 4.38Å; I452-F457 HydrophobicContact CG1-CE2 4Å; I452-F457 HydrophobicContact CG2-CD2 4.27Å; I452-F457 HydrophobicContact CG2-CE2 4.07Å; P453-F457 HydrophobicContact CG-CD1 4.01Å; P453-F457 HydrophobicContact CG-CE1 4.02Å; P453-F457 HydrophobicContact CG-CG 4.42Å; P453-F457 HydrophobicContact CG-CZ 4.43Å
458	D	74.8	Confident	71.8	Confident	118 Å²	118	83 Å²	83	63%	0.631	45%	0.449	S	S	*	.	S	Bend	trans	-95.8	-5.3	-177.3	-62.5	-50.1	0	0	0	113.6	E460	D458-E460 HydrophobicContact CB-CG 3.99Å; D458-E460 PolarHBondContact O-N 3.02Å; D458-E460 VanDerWaalsContact O-N 3.1Å
459	N	67.1	Low	69.6	Low	74 Å²	74	87.7 Å²	87.7	40%	0.396	47%	0.472	S	S	.	.			trans	43.2	44.4	176.9	-162.7	25.1	0	0	0	113.8	C455 D461	C455-N459 WeakPolarHBondContact CB-OD1 3.5Å; N459-D461 VanDerWaalsContact C-N 3.27Å; N459-D461 PolarHBondContact O-N 3.03Å
460	E	65.7	Low	68	Low	173 Å²	173	91.2 Å²	91.2	81%	0.808	50%	0.496	S	S	*	.			trans	-79.4	-8.3	-177.7	-63.4	-168.6	156.3	0	0	113.2	D458 P462	D458-E460 HydrophobicContact CB-CG 3.99Å; D458-E460 PolarHBondContact O-N 3.02Å; D458-E460 VanDerWaalsContact O-N 3.1Å; E460-P462 WeakPolarHBondContact O-CD 2.97Å
461	D	63.7	Low	66.3	Low	99 Å²	99	94.3 Å²	94.3	53%	0.529	52%	0.515	S	S	.	.			trans	-93.8	102.5	177.6	-166.1	-13.3	0	0	0	111.3	N459 A463 C464	N459-D461 VanDerWaalsContact C-N 3.27Å; N459-D461 PolarHBondContact O-N 3.03Å; D461-A463 PolarHBondContact O-N 2.82Å; D461-A463 VanDerWaalsContact OD1-CB 3.24Å; D461-A463 WeakPolarHBondContact OD1-CB 3.06Å; D461-A463 PolarHBondContact OD1-N 2.6Å; D461-C464 PolarHBondContact O-N 2.83Å; D461-C464 VanDerWaalsContact O-N 3.13Å
462	P	61.6	Low	64.6	Low	117 Å²	117	100.3 Å²	100.3	76%	0.76	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-8.8	178.6	26.6	-33.7	0	0	0	113.6	E460 C464	E460-P462 WeakPolarHBondContact O-CD 2.97Å; P462-C464 VanDerWaalsContact C-N 3.33Å
463	A	63.5	Low	63.1	Low	58 Å²	58	103.4 Å²	103.4	48%	0.479	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.9	-17.6	174.1	0	0	0	0	0	113.5	D461	D461-A463 PolarHBondContact O-N 2.82Å; D461-A463 VanDerWaalsContact OD1-CB 3.24Å; D461-A463 WeakPolarHBondContact OD1-CB 3.06Å; D461-A463 PolarHBondContact OD1-N 2.6Å
464	C	65.8	Low	61.8	Low	52 Å²	52	106.8 Å²	106.8	35%	0.351	58%	0.579	S	S	.	*	S	Bend	trans	-81.5	-23.4	-174.3	-162.3	0	0	0	0	113.8	C455 D461 P462	C455-C464 WeakPolarHBondContact CA-SG 3.31Å; C455-C464 HydrophobicContact CB-CB 3.61Å; C455-C464 WeakPolarHBondContact CB-SG 3.06Å; C455-C464 WeakPolarHBondContact SG-CB 3.5Å; C455-C464 CovalentContact SG-SG 2.03Å; C455-C464 PolarHBondContact SG-SG 3.23Å; D461-C464 PolarHBondContact O-N 2.83Å; D461-C464 VanDerWaalsContact O-N 3.13Å; P462-C464 VanDerWaalsContact C-N 3.33Å
465	N	52.5	Low	60.7	Low	105 Å²	105	103.9 Å²	103.9	56%	0.561	57%	0.573	S	S	*	*			trans	-99.7	72.3	171.4	-96.3	4.6	0	0	0	110.5	D467	N465-D467 VanDerWaalsContact C-N 3.33Å; N465-D467 PolarHBondContact O-N 3.22Å
466	Q	45.5	Very low	59.7	Low	154 Å²	154	105.3 Å²	105.3	72%	0.72	59%	0.587	S	S	*	*			trans	-96.5	66.6	161.6	-70.4	-174.4	9.5	0	0	109.5	H468	Q466-H468 PolarHBondContact O-N 3.41Å
467	D	48.5	Very low	58.8	Low	135 Å²	135	108.7 Å²	108.7	72%	0.722	60%	0.597	S	S	*	*			trans	-73.6	121.4	158.9	-82.3	-27.3	0	0	0	107.7	N465 L469	N465-D467 VanDerWaalsContact C-N 3.33Å; N465-D467 PolarHBondContact O-N 3.22Å; D467-L469 PolarHBondContact O-N 3.47Å
468	H	46	Very low	58	Low	191 Å²	191	111.5 Å²	111.5	88%	0.884	62%	0.617	S	S	*	*			trans	-61	103.9	178.8	-81.5	-78.2	0	0	0	110.2	Q466 S470	Q466-H468 PolarHBondContact O-N 3.41Å; H468-S470 PolarHBondContact O-N 2.92Å
469	L	43.2	Very low	57.6	Low	134 Å²	134	108.1 Å²	108.1	70%	0.702	61%	0.61	S	S	*	*			trans	-58.4	133.9	171.8	-88.4	93.3	0	0	0	110.8	D467 E473	D467-L469 PolarHBondContact O-N 3.47Å; L469-E473 WeakPolarHBondContact CB-OE2 3.02Å; L469-E473 HydrophobicContact CD2-CB 4.11Å; L469-E473 WeakPolarHBondContact CD2-OE2 3.36Å; L469-E473 WeakPolarHBondContact CG-OE2 2.98Å
470	S	56.8	Low	57.5	Low	75 Å²	75	107.7 Å²	107.7	52%	0.524	61%	0.613	S	S	.	*			trans	-82	149	179.4	176.6	0	0	0	0	111.2	H468 L472 E473	H468-S470 PolarHBondContact O-N 2.92Å; S470-L472 PolarHBondContact O-N 3.15Å; S470-E473 PolarHBondContact O-N 2.87Å
471	T	53.8	Low	57.6	Low	124 Å²	124	104 Å²	104	76%	0.761	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	-7.9	-172.3	48.2	0	0	0	0	115.6
472	L	54.4	Low	57.8	Low	140 Å²	140	102.4 Å²	102.4	73%	0.733	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-27.6	175.2	-148.5	83.5	0	0	0	113.1	S470	S470-L472 PolarHBondContact O-N 3.15Å
473	E	55.1	Low	58.4	Low	101 Å²	101	102.3 Å²	102.3	47%	0.472	59%	0.587	S	S	.	*	H	α-helix	trans	-77.4	-26.2	-176.5	-67.3	174.1	138.9	0	0	112.4	L469 S470 L475 A476 L477	L469-E473 WeakPolarHBondContact CB-OE2 3.02Å; L469-E473 HydrophobicContact CD2-CB 4.11Å; L469-E473 WeakPolarHBondContact CD2-OE2 3.36Å; L469-E473 WeakPolarHBondContact CG-OE2 2.98Å; S470-E473 PolarHBondContact O-N 2.87Å; E473-L475 VanDerWaalsContact C-N 3.31Å; E473-L475 PolarHBondContact O-N 3.48Å; E473-A476 PolarHBondContact O-N 3.42Å; E473-L477 PolarHBondContact O-N 3.38Å; E473-L477 VanDerWaalsContact O-N 3.09Å
474	V	58	Low	58.8	Low	94 Å²	94	103.8 Å²	103.8	57%	0.57	59%	0.587	S	S	*	*	H	α-helix	trans	-66.6	-31.9	177.7	-179.7	0	0	0	0	111.9
475	L	56.7	Low	59.1	Low	139 Å²	139	104.3 Å²	104.3	73%	0.728	59%	0.591	S	S	*	*	H	α-helix	trans	-75.7	-32.9	177.2	-83.8	156.3	0	0	0	112.5	E473	E473-L475 VanDerWaalsContact C-N 3.31Å; E473-L475 PolarHBondContact O-N 3.48Å
476	A	58.6	Low	60.4	Low	65 Å²	65	105 Å²	105	54%	0.537	59%	0.593	S	S	.	*	H	α-helix	trans	-71.4	-32.2	173.8	0	0	0	0	0	112.2	E473 V478 G479 S480	E473-A476 PolarHBondContact O-N 3.42Å; A476-V478 PolarHBondContact O-N 2.86Å; A476-G479 PolarHBondContact O-N 2.95Å; A476-S480 WeakPolarHBondContact O-CB 3.41Å; A476-S480 PolarHBondContact O-N 3.1Å; A476-S480 PolarHBondContact O-OG 2.99Å
477	L	60.7	Low	61.8	Low	101 Å²	101	102.7 Å²	102.7	53%	0.529	59%	0.585	S	S	.	*	H	α-helix	trans	-64	-37.4	178.7	-145.9	95.3	0	0	0	112.8	E473 S480 L481	E473-L477 PolarHBondContact O-N 3.38Å; E473-L477 VanDerWaalsContact O-N 3.09Å; L477-S480 WeakPolarHBondContact CA-OG 3.45Å; L477-S480 PolarHBondContact O-OG 3.12Å; L477-L481 HydrophobicContact CD2-CD1 4.13Å; L477-L481 HydrophobicContact CG-CD1 4.38Å; L477-L481 VanDerWaalsContact O-CB 3.29Å; L477-L481 WeakPolarHBondContact O-CB 3.41Å; L477-L481 WeakPolarHBondContact O-CD1 2.95Å; L477-L481 VanDerWaalsContact O-CG 3.25Å; L477-L481 WeakPolarHBondContact O-CG 3.46Å; L477-L481 PolarHBondContact O-N 3.22Å
478	V	65.2	Low	63.2	Low	93 Å²	93	99.8 Å²	99.8	56%	0.564	57%	0.569	S	S	*	*	H	α-helix	trans	-72.2	-37.5	179.4	178.4	0	0	0	0	111.2	A476 S482	A476-V478 PolarHBondContact O-N 2.86Å; V478-S482 PolarHBondContact O-N 3.29Å; V478-S482 PolarHBondContact O-OG 2.93Å
479	G	67.8	Low	64.8	Low	46 Å²	46	94.9 Å²	94.9	47%	0.474	55%	0.552	S	S	.	*	H	α-helix	trans	-66.9	-41.4	173.7	0	0	0	0	0	112.6	A476 S482 L483	A476-G479 PolarHBondContact O-N 2.95Å; G479-S482 PolarHBondContact O-N 2.84Å; G479-L483 PolarHBondContact O-N 2.85Å
480	S	64.9	Low	66.4	Low	65 Å²	65	91.9 Å²	91.9	46%	0.455	54%	0.542	S	S	.	.	H	α-helix	trans	-71.7	-36.7	179.3	68.6	0	0	0	0	112.8	A476 L477 S482 L483 L484	A476-S480 WeakPolarHBondContact O-CB 3.41Å; A476-S480 PolarHBondContact O-N 3.1Å; A476-S480 PolarHBondContact O-OG 2.99Å; L477-S480 WeakPolarHBondContact CA-OG 3.45Å; L477-S480 PolarHBondContact O-OG 3.12Å; S480-S482 VanDerWaalsContact C-N 3.29Å; S480-S482 PolarHBondContact O-N 3.29Å; S480-L483 PolarHBondContact O-N 2.79Å; S480-L484 VanDerWaalsContact O-CB 3.23Å; S480-L484 WeakPolarHBondContact O-CB 2.9Å; S480-L484 PolarHBondContact O-N 3.43Å
481	L	67.4	Low	67.5	Low	97 Å²	97	93.5 Å²	93.5	51%	0.508	54%	0.54	S	S	.	.	H	α-helix	trans	-62.4	-35.3	174.2	-82.9	162.1	0	0	0	112.6	L477 L484 S485	L477-L481 HydrophobicContact CD2-CD1 4.13Å; L477-L481 HydrophobicContact CG-CD1 4.38Å; L477-L481 VanDerWaalsContact O-CB 3.29Å; L477-L481 WeakPolarHBondContact O-CB 3.41Å; L477-L481 WeakPolarHBondContact O-CD1 2.95Å; L477-L481 VanDerWaalsContact O-CG 3.25Å; L477-L481 WeakPolarHBondContact O-CG 3.46Å; L477-L481 PolarHBondContact O-N 3.22Å; L481-L484 PolarHBondContact O-N 3.33Å; L481-S485 PolarHBondContact O-N 3.27Å
482	S	68	Low	68.6	Low	65 Å²	65	93.1 Å²	93.1	46%	0.455	53%	0.528	S	S	.	.	H	α-helix	trans	-66	-46.4	176.3	-52.2	0	0	0	0	111.1	V478 G479 S480 S485 I486	V478-S482 PolarHBondContact O-N 3.29Å; V478-S482 PolarHBondContact O-OG 2.93Å; G479-S482 PolarHBondContact O-N 2.84Å; S480-S482 VanDerWaalsContact C-N 3.29Å; S480-S482 PolarHBondContact O-N 3.29Å; S482-S485 PolarHBondContact O-N 3.37Å; S482-S485 PolarHBondContact O-OG 3.42Å; S482-I486 PolarHBondContact O-N 3.33Å
483	L	74.2	Confident	69.7	Low	115 Å²	115	91.2 Å²	91.2	60%	0.602	52%	0.517	S	S	*	.	H	α-helix	trans	-67.4	-37.8	176.8	-153.3	86.4	0	0	0	111.8	G479 S480 S485 I486 L487	G479-L483 PolarHBondContact O-N 2.85Å; S480-L483 PolarHBondContact O-N 2.79Å; L483-S485 VanDerWaalsContact C-N 3.35Å; L483-S485 PolarHBondContact O-N 2.9Å; L483-I486 PolarHBondContact O-N 2.93Å; L483-L487 PolarHBondContact O-N 2.84Å
484	L	72.3	Confident	70.7	Confident	89 Å²	89	92.8 Å²	92.8	47%	0.466	52%	0.52	S	S	.	.	H	α-helix	trans	-64.3	-38.9	177.2	-165.3	75.5	0	0	0	111.1	S480 L481 I486 L487 I488	S480-L484 VanDerWaalsContact O-CB 3.23Å; S480-L484 WeakPolarHBondContact O-CB 2.9Å; S480-L484 PolarHBondContact O-N 3.43Å; L481-L484 PolarHBondContact O-N 3.33Å; L484-I486 VanDerWaalsContact C-N 3.34Å; L484-I486 PolarHBondContact O-N 3.22Å; L484-L487 PolarHBondContact O-N 3.47Å; L484-I488 HydrophobicContact CD2-CD1 4.11Å; L484-I488 HydrophobicContact CG-CD1 3.79Å; L484-I488 HydrophobicContact CG-CG1 4.31Å; L484-I488 VanDerWaalsContact O-CB 3.28Å; L484-I488 WeakPolarHBondContact O-CB 3.3Å; L484-I488 WeakPolarHBondContact O-CD1 3.31Å; L484-I488 WeakPolarHBondContact O-CG1 3.2Å; L484-I488 PolarHBondContact O-N 2.84Å
485	S	71.1	Confident	71.5	Confident	63 Å²	63	94.7 Å²	94.7	44%	0.441	52%	0.517	S	S	.	.	H	α-helix	trans	-62.6	-39.7	176.8	75.6	0	0	0	0	112.6	L481 S482 L483 I488 V489	L481-S485 PolarHBondContact O-N 3.27Å; S482-S485 PolarHBondContact O-N 3.37Å; S482-S485 PolarHBondContact O-OG 3.42Å; L483-S485 VanDerWaalsContact C-N 3.35Å; L483-S485 PolarHBondContact O-N 2.9Å; S485-I488 PolarHBondContact O-N 3Å; S485-V489 WeakPolarHBondContact O-CG2 3.26Å; S485-V489 PolarHBondContact O-N 3.25Å
486	I	79.2	Confident	72.3	Confident	119 Å²	119	94.7 Å²	94.7	61%	0.61	51%	0.511	S	S	*	.	H	α-helix	trans	-70.1	-41.5	177.2	-62.4	171.8	0	0	0	110.4	S482 L483 L484 I488 V489 S490	S482-I486 PolarHBondContact O-N 3.33Å; L483-I486 PolarHBondContact O-N 2.93Å; L484-I486 VanDerWaalsContact C-N 3.34Å; L484-I486 PolarHBondContact O-N 3.22Å; I486-I488 VanDerWaalsContact C-N 3.35Å; I486-V489 PolarHBondContact O-N 3.3Å; I486-S490 WeakPolarHBondContact O-CB 3.5Å; I486-S490 PolarHBondContact O-N 3.15Å
487	L	76.3	Confident	72.7	Confident	105 Å²	105	97.1 Å²	97.1	55%	0.55	51%	0.513	S	S	.	.	H	α-helix	trans	-64.2	-38.3	173.8	-77.9	169.4	0	0	0	112.1	L483 L484 S490 F491	L483-L487 PolarHBondContact O-N 2.84Å; L484-L487 PolarHBondContact O-N 3.47Å; L487-S490 PolarHBondContact O-N 3.37Å; L487-F491 WeakPolarHBondContact O-CB 3.47Å; L487-F491 PolarHBondContact O-N 2.77Å
488	I	77.9	Confident	73	Confident	74 Å²	74	95.5 Å²	95.5	38%	0.379	50%	0.502	S	S	.	.	H	α-helix	trans	-65.8	-45.3	176.7	-73.9	165.5	0	0	0	110.4	L484 S485 I486 F491 F492	L484-I488 HydrophobicContact CD2-CD1 4.11Å; L484-I488 HydrophobicContact CG-CD1 3.79Å; L484-I488 HydrophobicContact CG-CG1 4.31Å; L484-I488 VanDerWaalsContact O-CB 3.28Å; L484-I488 WeakPolarHBondContact O-CB 3.3Å; L484-I488 WeakPolarHBondContact O-CD1 3.31Å; L484-I488 WeakPolarHBondContact O-CG1 3.2Å; L484-I488 PolarHBondContact O-N 2.84Å; S485-I488 PolarHBondContact O-N 3Å; I486-I488 VanDerWaalsContact C-N 3.35Å; I488-F491 CarbonylContact O-C 3.57Å; I488-F491 WeakPolarHBondContact O-CB 3.46Å; I488-F491 PolarHBondContact O-N 2.97Å; I488-F492 HydrophobicContact CG2-CD2 3.51Å; I488-F492 HydrophobicContact CG2-CE2 3.31Å; I488-F492 WeakPolarHBondContact O-CD2 3.49Å; I488-F492 PolarHBondContact O-N 2.91Å
489	V	79.6	Confident	72.9	Confident	88 Å²	88	94.4 Å²	94.4	53%	0.533	49%	0.493	S	S	.	.	H	α-helix	trans	-64.7	-44	177.1	173	0	0	0	0	111	S485 I486 F491 F492 I493	S485-V489 WeakPolarHBondContact O-CG2 3.26Å; S485-V489 PolarHBondContact O-N 3.25Å; I486-V489 PolarHBondContact O-N 3.3Å; V489-F491 VanDerWaalsContact C-N 3.32Å; V489-F491 PolarHBondContact O-N 2.89Å; V489-F492 PolarHBondContact O-N 3.49Å; V489-I493 HydrophobicContact CG1-CD1 4.12Å; V489-I493 WeakPolarHBondContact O-CG1 3.38Å; V489-I493 PolarHBondContact O-N 3.22Å
490	S	77.3	Confident	72.7	Confident	71 Å²	71	97.7 Å²	97.7	50%	0.497	50%	0.496	S	S	.	.	H	α-helix	trans	-62.9	-39.5	174.8	-167.9	0	0	0	0	111.7	I486 L487 I493 Y494	I486-S490 WeakPolarHBondContact O-CB 3.5Å; I486-S490 PolarHBondContact O-N 3.15Å; L487-S490 PolarHBondContact O-N 3.37Å; S490-I493 PolarHBondContact O-N 2.76Å; S490-Y494 VanDerWaalsContact O-CB 3.27Å; S490-Y494 WeakPolarHBondContact O-CB 3.48Å; S490-Y494 PolarHBondContact O-N 2.71Å
491	F	78.7	Confident	72.7	Confident	110 Å²	110	101.5 Å²	101.5	48%	0.482	51%	0.505	S	S	.	.	H	α-helix	trans	-64.5	-38.7	172.9	177.5	-98.3	0	0	0	112	L487 I488 V489 Y494 R495	L487-F491 WeakPolarHBondContact O-CB 3.47Å; L487-F491 PolarHBondContact O-N 2.77Å; I488-F491 CarbonylContact O-C 3.57Å; I488-F491 WeakPolarHBondContact O-CB 3.46Å; I488-F491 PolarHBondContact O-N 2.97Å; V489-F491 VanDerWaalsContact C-N 3.32Å; V489-F491 PolarHBondContact O-N 2.89Å; F491-Y494 PolarHBondContact O-N 3.41Å; F491-R495 WeakPolarHBondContact O-CA 3.24Å; F491-R495 WeakPolarHBondContact O-CB 3.01Å; F491-R495 PolarHBondContact O-N 3.27Å
492	F	77.4	Confident	72.5	Confident	116 Å²	116	100.9 Å²	100.9	51%	0.509	50%	0.499	S	S	.	.	H	α-helix	trans	-68.5	-37.6	175.4	-83.5	-66.4	0	0	0	112.3	I488 V489 K496	I488-F492 HydrophobicContact CG2-CD2 3.51Å; I488-F492 HydrophobicContact CG2-CE2 3.31Å; I488-F492 WeakPolarHBondContact O-CD2 3.49Å; I488-F492 PolarHBondContact O-N 2.91Å; V489-F492 PolarHBondContact O-N 3.49Å; F492-K496 VanDerWaalsContact O-CB 3.26Å; F492-K496 WeakPolarHBondContact O-CB 3.39Å; F492-K496 PolarHBondContact O-N 2.75Å
493	I	76.9	Confident	72	Confident	99 Å²	99	99.9 Å²	99.9	51%	0.508	49%	0.488	S	S	.	.	H	α-helix	trans	-66.9	-45.7	173.6	-65.9	168.4	0	0	0	110.1	V489 S490 K496 M497	V489-I493 HydrophobicContact CG1-CD1 4.12Å; V489-I493 WeakPolarHBondContact O-CG1 3.38Å; V489-I493 PolarHBondContact O-N 3.22Å; S490-I493 PolarHBondContact O-N 2.76Å; I493-K496 PolarHBondContact O-N 2.86Å; I493-M497 WeakPolarHBondContact O-CG 3.48Å; I493-M497 PolarHBondContact O-N 2.68Å
494	Y	76.6	Confident	71.2	Confident	135 Å²	135	98.1 Å²	98.1	53%	0.529	49%	0.49	S	S	.	.	H	α-helix	trans	-60.4	-46.4	174.6	175.8	-99.6	0	0	0	111.6	S490 F491 K496 M497 Q498	S490-Y494 VanDerWaalsContact O-CB 3.27Å; S490-Y494 WeakPolarHBondContact O-CB 3.48Å; S490-Y494 PolarHBondContact O-N 2.71Å; F491-Y494 PolarHBondContact O-N 3.41Å; Y494-K496 VanDerWaalsContact C-N 3.31Å; Y494-K496 PolarHBondContact O-N 3.49Å; Y494-M497 CarbonylContact O-C 3.6Å; Y494-M497 PolarHBondContact O-N 3.45Å; Y494-Q498 VanDerWaalsContact O-CB 3.3Å; Y494-Q498 WeakPolarHBondContact O-CB 3.48Å; Y494-Q498 PolarHBondContact O-N 2.85Å
495	R	73.9	Confident	70.8	Confident	133 Å²	133	96.2 Å²	96.2	50%	0.502	48%	0.484	S	S	.	.	H	α-helix	trans	-64.3	-35.9	178	-169.2	178.7	179.8	-171.9	1.2	111.2	F491 L499	F491-R495 WeakPolarHBondContact O-CA 3.24Å; F491-R495 WeakPolarHBondContact O-CB 3.01Å; F491-R495 PolarHBondContact O-N 3.27Å; R495-L499 HydrophobicContact CG-CD1 4.47Å; R495-L499 WeakPolarHBondContact O-CB 3.47Å; R495-L499 PolarHBondContact O-N 3.4Å
496	K	73.9	Confident	70.6	Confident	140 Å²	140	97.4 Å²	97.4	61%	0.609	48%	0.483	S	S	*	.	H	α-helix	trans	-65.7	-45.7	172.6	-174.5	-177.4	176.4	-174	0	111.5	F492 I493 Y494 Q498 L499 E500	F492-K496 VanDerWaalsContact O-CB 3.26Å; F492-K496 WeakPolarHBondContact O-CB 3.39Å; F492-K496 PolarHBondContact O-N 2.75Å; I493-K496 PolarHBondContact O-N 2.86Å; Y494-K496 VanDerWaalsContact C-N 3.31Å; Y494-K496 PolarHBondContact O-N 3.49Å; K496-Q498 VanDerWaalsContact C-N 3.35Å; K496-L499 PolarHBondContact O-N 3.01Å; K496-E500 PolarHBondContact O-N 3.21Å
497	M	67.1	Low	70.1	Confident	115 Å²	115	97.6 Å²	97.6	57%	0.567	49%	0.485	S	S	*	.	H	α-helix	trans	-64.3	-38.4	175.1	-74.4	-179	67.7	0	0	112.3	I493 Y494 E500 K501	I493-M497 WeakPolarHBondContact O-CG 3.48Å; I493-M497 PolarHBondContact O-N 2.68Å; Y494-M497 CarbonylContact O-C 3.6Å; Y494-M497 PolarHBondContact O-N 3.45Å; M497-E500 PolarHBondContact O-N 3Å; M497-K501 PolarHBondContact O-N 3.27Å
498	Q	67.7	Low	70.1	Confident	67 Å²	67	93 Å²	93	31%	0.313	46%	0.46	S	S	.	.	H	α-helix	trans	-68.4	-39.7	176.4	-167	70.2	-0.8	0	0	111	Y494 K496 E500 K501 E502	Y494-Q498 VanDerWaalsContact O-CB 3.3Å; Y494-Q498 WeakPolarHBondContact O-CB 3.48Å; Y494-Q498 PolarHBondContact O-N 2.85Å; K496-Q498 VanDerWaalsContact C-N 3.35Å; Q498-E500 VanDerWaalsContact C-N 3.33Å; Q498-E500 PolarHBondContact O-N 3.23Å; Q498-K501 PolarHBondContact O-N 3.32Å; Q498-E502 WeakPolarHBondContact O-CB 3.49Å; Q498-E502 WeakPolarHBondContact O-CG 3.33Å; Q498-E502 PolarHBondContact O-N 3.17Å
499	L	62	Low	70.3	Confident	70 Å²	70	94.1 Å²	94.1	37%	0.366	46%	0.46	S	S	.	.	H	α-helix	trans	-61.6	-40.8	173.8	-125.1	99.5	0	0	0	111.8	R495 K496 E502 L503	R495-L499 HydrophobicContact CG-CD1 4.47Å; R495-L499 WeakPolarHBondContact O-CB 3.47Å; R495-L499 PolarHBondContact O-N 3.4Å; K496-L499 PolarHBondContact O-N 3.01Å; L499-E502 PolarHBondContact O-N 2.98Å; L499-L503 WeakPolarHBondContact O-CB 3.33Å; L499-L503 PolarHBondContact O-N 3.09Å
500	E	65.1	Low	70.5	Confident	115 Å²	115	90 Å²	90	54%	0.537	44%	0.435	S	S	.	.	H	α-helix	trans	-67.6	-39.6	176.1	-76	-173.1	177.9	0	0	111.8	K496 M497 Q498 L503 A504	K496-E500 PolarHBondContact O-N 3.21Å; M497-E500 PolarHBondContact O-N 3Å; Q498-E500 VanDerWaalsContact C-N 3.33Å; Q498-E500 PolarHBondContact O-N 3.23Å; E500-L503 PolarHBondContact O-N 2.99Å; E500-A504 WeakPolarHBondContact O-CB 3.32Å; E500-A504 PolarHBondContact O-N 2.03Å; E500-A504 VanDerWaalsContact O-N 3.08Å
501	K	64.1	Low	70.6	Confident	146 Å²	146	93.2 Å²	93.2	64%	0.635	44%	0.436	S	S	*	.	H	α-helix	trans	-61.1	-42.5	170.6	-81.6	-175.5	176.1	-179.6	0	112.5	M497 Q498 A504 S505	M497-K501 PolarHBondContact O-N 3.27Å; Q498-K501 PolarHBondContact O-N 3.32Å; K501-A504 PolarHBondContact O-N 3.03Å; K501-S505 PolarHBondContact O-N 3.43Å
502	E	62.1	Low	70.6	Confident	83 Å²	83	91.7 Å²	91.7	39%	0.388	43%	0.427	S	S	.	.	H	α-helix	trans	-69.2	-37.8	178.8	-76.4	175.6	-171	0	0	112.7	Q498 L499 A504 S505 K585	Q498-E502 WeakPolarHBondContact O-CB 3.49Å; Q498-E502 WeakPolarHBondContact O-CG 3.33Å; Q498-E502 PolarHBondContact O-N 3.17Å; L499-E502 PolarHBondContact O-N 2.98Å; E502-A504 VanDerWaalsContact C-N 3.29Å; E502-A504 PolarHBondContact O-N 2.95Å; E502-S505 WeakPolarHBondContact O-CB 3.34Å; E502-S505 PolarHBondContact O-N 3.4Å; E502-S505 PolarHBondContact O-OG 3.32Å; E502-K585 IonicContact OE2-NZ 2.79Å; E502-K585 PolarHBondContact OE2-NZ 3.41Å
503	L	58.2	Low	70.6	Confident	44 Å²	44	94.1 Å²	94.1	23%	0.23	44%	0.44	C	S	.	.	H	α-helix	trans	-64.7	-34.5	174.1	-113.2	130.2	0	0	0	111.8	L499 E500 S505 L581 K585	L499-L503 WeakPolarHBondContact O-CB 3.33Å; L499-L503 PolarHBondContact O-N 3.09Å; E500-L503 PolarHBondContact O-N 2.99Å; L503-S505 VanDerWaalsContact C-N 3.27Å; L503-S505 PolarHBondContact O-N 3.45Å; L503-L581 HydrophobicContact CD2-CB 3.88Å; L503-K585 HydrophobicContact CG-CD 4.49Å
504	A	57.2	Low	70.7	Confident	78 Å²	78	92.1 Å²	92.1	65%	0.645	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-13.6	175.6	0	0	0	0	0	113.9	E500 K501 E502 E506	E500-A504 WeakPolarHBondContact O-CB 3.32Å; E500-A504 PolarHBondContact O-N 2.03Å; E500-A504 VanDerWaalsContact O-N 3.08Å; K501-A504 PolarHBondContact O-N 3.03Å; E502-A504 VanDerWaalsContact C-N 3.29Å; E502-A504 PolarHBondContact O-N 2.95Å; A504-E506 PolarHBondContact O-N 3.05Å
505	S	64.3	Low	70.9	Confident	49 Å²	49	86.2 Å²	86.2	34%	0.343	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-6.1	-172.8	71.3	0	0	0	0	115.3	K501 E502 L503 L507	K501-S505 PolarHBondContact O-N 3.43Å; E502-S505 WeakPolarHBondContact O-CB 3.34Å; E502-S505 PolarHBondContact O-N 3.4Å; E502-S505 PolarHBondContact O-OG 3.32Å; L503-S505 VanDerWaalsContact C-N 3.27Å; L503-S505 PolarHBondContact O-N 3.45Å; S505-L507 WeakPolarHBondContact O-CG 3.46Å; S505-L507 PolarHBondContact O-N 3.48Å; S505-L507 WeakPolarHBondContact OG-CD1 3.42Å
506	E	66.3	Low	71	Confident	88 Å²	88	84.3 Å²	84.3	41%	0.411	41%	0.405	S	S	.	.			trans	43.7	17.7	177.9	-72.6	-166.7	-169.1	0	0	116.1	A504 W508 R509	A504-E506 PolarHBondContact O-N 3.05Å; E506-W508 PolarHBondContact O-N 2.99Å; E506-R509 WeakPolarHBondContact O-CB 3.41Å; E506-R509 PolarHBondContact O-N 3.46Å; E506-R509 WeakPolarHBondContact OE2-CD 3.38Å; E506-R509 IonicContact OE2-CZ 3.83Å; E506-R509 IonicContact OE2-NH1 2.82Å; E506-R509 PolarHBondContact OE2-NH1 3.38Å
507	L	70	Confident	70.8	Confident	124 Å²	124	83.1 Å²	83.1	65%	0.649	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-13.3	-168.3	-67.9	164.6	0	0	0	113.1	S505 R509 R588	S505-L507 WeakPolarHBondContact O-CG 3.46Å; S505-L507 PolarHBondContact O-N 3.48Å; S505-L507 WeakPolarHBondContact OG-CD1 3.42Å; L507-R509 VanDerWaalsContact C-N 3.31Å; L507-R588 PolarHBondContact O-NH1 3.46Å
508	W	76.6	Confident	70.5	Confident	7 Å²	7	79.7 Å²	79.7	3%	0.027	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-16.2	177.6	54.8	-98.9	0	0	0	112.2	E506 L576 L581 L584 F598 G600 A601 T603	E506-W508 PolarHBondContact O-N 2.99Å; W508-L576 HydrophobicContact CH2-CD1 3.99Å; W508-L576 HydrophobicContact CH2-CD2 3.74Å; W508-L576 HydrophobicContact CZ2-CD1 4.44Å; W508-L576 HydrophobicContact CZ2-CD2 4.26Å; W508-L581 HydrophobicContact CH2-CD2 4.36Å; W508-L581 HydrophobicContact CZ2-CD2 3.39Å; W508-L584 HydrophobicContact CD2-CB 4.2Å; W508-L584 HydrophobicContact CD2-CD1 3.98Å; W508-L584 HydrophobicContact CE3-CD1 3.81Å; W508-L584 HydrophobicContact CE3-CD2 4.43Å; W508-L584 HydrophobicContact CG-CB 4.22Å; W508-L584 HydrophobicContact CH2-CD1 3.92Å; W508-L584 HydrophobicContact CZ2-CD1 4.06Å; W508-L584 HydrophobicContact CZ3-CD1 3.78Å; W508-F598 HydrophobicContact CB-CE1 4.47Å; W508-G600 WeakPolarHBondContact O-CA 3.36Å; W508-A601 HydrophobicContact CE3-CB 4.44Å; W508-A601 PolarHBondContact O-N 3.34Å; W508-T603 HydrophobicContact CH2-CG2 4.45Å; W508-T603 HydrophobicContact CZ3-CG2 4.09Å
509	R	80.9	Confident	69.6	Low	99 Å²	99	79.3 Å²	79.3	37%	0.374	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-75.1	126.7	-175.1	-172.2	175.7	-179.4	178	0.1	109.9	E506 L507 D604	E506-R509 WeakPolarHBondContact O-CB 3.41Å; E506-R509 PolarHBondContact O-N 3.46Å; E506-R509 WeakPolarHBondContact OE2-CD 3.38Å; E506-R509 IonicContact OE2-CZ 3.83Å; E506-R509 IonicContact OE2-NH1 2.82Å; E506-R509 PolarHBondContact OE2-NH1 3.38Å; L507-R509 VanDerWaalsContact C-N 3.31Å; R509-D604 IonicContact NE-OD1 2.75Å; R509-D604 IonicContact NH2-OD1 3.22Å; R509-D604 PolarHBondContact NH2-OD1 2.96Å; R509-D604 VanDerWaalsContact NH2-OD1 3.11Å
510	V	83.3	Confident	68.8	Low	1 Å²	1	83.1 Å²	83.1	1%	0.006	42%	0.423	C	S	.	.			trans	-111.4	129.2	172.9	178.3	0	0	0	0	108.4	V515 Y559 A601 C602 L611	V510-V515 HydrophobicContact CG1-CG2 3.7Å; V510-Y559 HydrophobicContact CB-CE2 4.36Å; V510-Y559 HydrophobicContact CG1-CD2 3.76Å; V510-Y559 HydrophobicContact CG1-CE2 3.44Å; V510-Y559 VanDerWaalsContact CG1-CE2 3.44Å; V510-Y559 HydrophobicContact CG2-CE1 4.22Å; V510-Y559 HydrophobicContact CG2-CE2 4.11Å; V510-A601 PolarHBondContact N-O 2.59Å; V510-C602 VanDerWaalsContact O-CA 3.31Å; V510-C602 WeakPolarHBondContact O-CA 3.27Å; V510-C602 WeakPolarHBondContact O-CB 3.36Å; V510-C602 PolarHBondContact O-SG 2.7Å; V510-L611 HydrophobicContact CB-CD1 3.74Å; V510-L611 HydrophobicContact CG1-CD1 3.5Å; V510-L611 HydrophobicContact CG2-CD1 3.77Å
511	R	79.5	Confident	67.6	Low	139 Å²	139	85.1 Å²	85.1	53%	0.525	43%	0.433	S	S	.	.			trans	-80.2	139.7	173.1	-64	-179.9	-66.7	-170.6	3.5	108.8	E513 D514	R511-E513 PolarHBondContact O-N 3.43Å; R511-D514 IonicContact CZ-OD2 3.72Å; R511-D514 IonicContact NE-OD2 3.66Å; R511-D514 PolarHBondContact NE-OD2 3.3Å; R511-D514 IonicContact NH2-OD1 3.11Å; R511-D514 IonicContact NH2-OD2 3.1Å; R511-D514 PolarHBondContact NH2-OD2 3.24Å; R511-D514 PolarHBondContact O-N 2.9Å
512	W	79.4	Confident	66.6	Low	78 Å²	78	85.6 Å²	85.6	30%	0.295	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-57.5	-31.9	179.4	-178.4	-103.9	0	0	0	112.8	D514 V515 N607	W512-D514 PolarHBondContact O-N 3.21Å; W512-V515 PolarHBondContact O-N 2.9Å; W512-N607 HydrophobicContact CD2-CB 3.53Å; W512-N607 HydrophobicContact CE3-CB 3.59Å; W512-N607 HydrophobicContact CG-CB 3.99Å; W512-N607 HydrophobicContact CH2-CB 4.31Å; W512-N607 HydrophobicContact CZ2-CB 4.25Å; W512-N607 HydrophobicContact CZ3-CB 4Å; W512-N607 PolarHBondContact NE1-ND2 3.12Å
513	E	77.1	Confident	65.7	Low	167 Å²	167	85.4 Å²	85.4	78%	0.78	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-61.5	-29.1	177.2	-63.5	172.1	-172.4	0	0	113.7	R511 V515	R511-E513 PolarHBondContact O-N 3.43Å; E513-V515 PolarHBondContact O-N 2.82Å
514	D	80.3	Confident	64.9	Low	57 Å²	57	90.7 Å²	90.7	31%	0.305	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-82.7	-2.9	-178.7	-62.6	-41.8	0	0	0	112.2	R511 W512 Y559	R511-D514 IonicContact CZ-OD2 3.72Å; R511-D514 IonicContact NE-OD2 3.66Å; R511-D514 PolarHBondContact NE-OD2 3.3Å; R511-D514 IonicContact NH2-OD1 3.11Å; R511-D514 IonicContact NH2-OD2 3.1Å; R511-D514 PolarHBondContact NH2-OD2 3.24Å; R511-D514 PolarHBondContact O-N 2.9Å; W512-D514 PolarHBondContact O-N 3.21Å; D514-Y559 HydrophobicContact CB-CD2 4.03Å; D514-Y559 HydrophobicContact CB-CE2 3.77Å; D514-Y559 WeakPolarHBondContact O-CD2 3.31Å
515	V	79.1	Confident	64.1	Low	10 Å²	10	97.5 Å²	97.5	6%	0.061	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	96.9	-177.4	-176.2	0	0	0	0	109.4	V510 W512 E513 A557 Y559 L611	V510-V515 HydrophobicContact CG1-CG2 3.7Å; W512-V515 PolarHBondContact O-N 2.9Å; E513-V515 PolarHBondContact O-N 2.82Å; V515-A557 HydrophobicContact CG1-CB 3.39Å; V515-Y559 HydrophobicContact CG2-CD2 4.46Å; V515-L611 HydrophobicContact CG1-CD2 4.49Å; V515-L611 HydrophobicContact CG2-CD1 4.04Å
516	E	77.3	Confident	62.9	Low	93 Å²	93	98.3 Å²	98.3	44%	0.435	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	123.3	178.8	-69.3	-175.3	-155.3	0	0	110.6	S518 R522 A557 Y558	E516-S518 PolarHBondContact O-N 2.98Å; E516-R522 IonicContact OE2-CZ 2.7Å; E516-R522 IonicContact OE2-NH1 2.88Å; E516-R522 PolarHBondContact OE2-NH1 3.13Å; E516-R522 IonicContact OE2-NH2 3.68Å; E516-A557 WeakPolarHBondContact O-CA 3.26Å; E516-A557 WeakPolarHBondContact O-CB 3.17Å; E516-Y558 PolarHBondContact N-O 2.92Å; E516-Y558 PolarHBondContact O-N 2.84Å
517	P	69.7	Low	61.5	Low	116 Å²	116	96.7 Å²	96.7	75%	0.753	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.1	135	176.2	25.6	-31.7	0	0	0	110.8	S519	P517-S519 PolarHBondContact O-N 3.03Å
518	S	59.8	Low	59.9	Low	42 Å²	42	94.3 Å²	94.3	29%	0.294	48%	0.479	S	S	.	.			trans	-71.6	94.5	175.3	58.7	0	0	0	0	110	E516 T556	E516-S518 PolarHBondContact O-N 2.98Å; S518-T556 PolarHBondContact OG-O 3.37Å; S518-T556 PolarHBondContact OG-OG1 3.31Å
519	S	50.3	Low	58.1	Low	60 Å²	60	98.3 Å²	98.3	42%	0.42	51%	0.508	S	S	.	.			trans	-75.4	127.8	166.1	69	0	0	0	0	109.3	P517 E521 R522	P517-S519 PolarHBondContact O-N 3.03Å; S519-E521 PolarHBondContact O-N 3.15Å; S519-E521 VanDerWaalsContact O-N 3.07Å; S519-R522 PolarHBondContact O-N 2.93Å; S519-R522 VanDerWaalsContact O-N 3.1Å
520	L	44.2	Very low	55.9	Low	149 Å²	149	104.5 Å²	104.5	78%	0.78	53%	0.531	S	S	*	.	H	α-helix	trans	-52.9	-28.2	175.9	-162.9	75	0	0	0	111.6	H523	L520-H523 PolarHBondContact O-N 3.38Å
521	E	39.7	Very low	53.4	Low	158 Å²	158	110.1 Å²	110.1	74%	0.738	56%	0.561	S	S	*	*	H	α-helix	trans	-71.5	-27.1	-178.7	-131.6	168.1	-178	0	0	114.3	S519	S519-E521 PolarHBondContact O-N 3.15Å; S519-E521 VanDerWaalsContact O-N 3.07Å
522	R	43.4	Very low	51.4	Low	155 Å²	155	109.1 Å²	109.1	59%	0.585	57%	0.57	S	S	*	*	H	α-helix	trans	-83.8	-17.2	178.6	-158	169.5	162.6	-166.8	-10.4	112.3	E516 S519 R525 S526	E516-R522 IonicContact OE2-CZ 2.7Å; E516-R522 IonicContact OE2-NH1 2.88Å; E516-R522 PolarHBondContact OE2-NH1 3.13Å; E516-R522 IonicContact OE2-NH2 3.68Å; S519-R522 PolarHBondContact O-N 2.93Å; S519-R522 VanDerWaalsContact O-N 3.1Å; R522-R525 PolarHBondContact O-N 3.3Å; R522-S526 VanDerWaalsContact O-CB 3.28Å; R522-S526 WeakPolarHBondContact O-CB 3.49Å; R522-S526 PolarHBondContact O-N 3.1Å
523	H	43.7	Very low	49.2	Very low	79 Å²	79	113.9 Å²	113.9	37%	0.366	60%	0.601	S	S	.	*	H	α-helix	trans	-66.7	-34.7	173.1	-88.7	73	0	0	0	112.6	L520 R525 A527	L520-H523 PolarHBondContact O-N 3.38Å; H523-R525 VanDerWaalsContact C-N 3.33Å; H523-R525 PolarHBondContact O-N 3.33Å; H523-A527 VanDerWaalsContact O-CB 3.29Å; H523-A527 WeakPolarHBondContact O-CB 3.41Å; H523-A527 PolarHBondContact O-N 3.36Å; H523-A527 VanDerWaalsContact O-N 3.17Å
524	L	41.2	Very low	47.2	Very low	156 Å²	156	111.3 Å²	111.3	82%	0.817	60%	0.601	S	S	*	*	H	α-helix	trans	-69.1	-28.9	175.9	-75.5	165.7	0	0	0	113.1
525	R	39.3	Very low	45	Very low	221 Å²	221	111.9 Å²	111.9	83%	0.834	62%	0.62	S	S	*	*	H	α-helix	trans	-91.5	-26	178.7	-74.4	-174.3	174.4	179	-0.2	114.1	R522 H523	R522-R525 PolarHBondContact O-N 3.3Å; H523-R525 VanDerWaalsContact C-N 3.33Å; H523-R525 PolarHBondContact O-N 3.33Å
526	S	39	Very low	43	Very low	66 Å²	66	122.6 Å²	122.6	46%	0.462	66%	0.66	S	S	.	*	H	α-helix	trans	-91	-20	-178.5	-176.8	0	0	0	0	113.9	R522 G528	R522-S526 VanDerWaalsContact O-CB 3.28Å; R522-S526 WeakPolarHBondContact O-CB 3.49Å; R522-S526 PolarHBondContact O-N 3.1Å; S526-G528 PolarHBondContact O-N 3.03Å
527	A	38.2	Very low	40.9	Very low	54 Å²	54	121 Å²	121	45%	0.446	67%	0.668	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73	-15.5	174.8	0	0	0	0	0	113	H523 L531	H523-A527 VanDerWaalsContact O-CB 3.29Å; H523-A527 WeakPolarHBondContact O-CB 3.41Å; H523-A527 PolarHBondContact O-N 3.36Å; H523-A527 VanDerWaalsContact O-N 3.17Å; A527-L531 HydrophobicContact CB-CD1 4.14Å
528	G	36.9	Very low	39.1	Very low	73 Å²	73	120.6 Å²	120.6	75%	0.753	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-7.6	179.8	0	0	0	0	0	116	S526	S526-G528 PolarHBondContact O-N 3.03Å
529	S	37.9	Very low	37.9	Very low	92 Å²	92	126.7 Å²	126.7	64%	0.643	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.1	2.2	-170	55.5	0	0	0	0	117.2
530	R	34.5	Very low	36.9	Very low	229 Å²	229	134 Å²	134	86%	0.864	72%	0.717	S	S	*	*	S	Bend	trans	-135.5	9.8	167.7	-71.1	-176.6	85.1	150.3	0.8	115.2	T532	R530-T532 PolarHBondContact O-N 3.15Å
531	L	31.7	Very low	36.3	Very low	118 Å²	118	129.4 Å²	129.4	62%	0.618	71%	0.705	S	S	*	*			trans	-98.7	64	170.8	-90.4	154.6	0	0	0	110.4	A527	A527-L531 HydrophobicContact CB-CD1 4.14Å
532	T	37.5	Very low	35.9	Very low	119 Å²	119	126 Å²	126	73%	0.73	70%	0.699	S	S	*	*	S	Bend	trans	-133.3	81	162.7	48.3	0	0	0	0	106.5	R530	R530-T532 PolarHBondContact O-N 3.15Å
533	L	33	Very low	35.4	Very low	178 Å²	178	123.1 Å²	123.1	93%	0.932	70%	0.695	S	S	*	*	S	Bend	trans	172.5	10.8	153.2	-96.3	151.7	0	0	0	116.6
534	S	34.8	Very low	34.6	Very low	113 Å²	113	125.2 Å²	125.2	79%	0.79	71%	0.708	S	S	*	*	S	Bend	trans	-147.8	32.2	176.3	61.2	0	0	0	0	116.1
535	G	33.9	Very low	34.1	Very low	68 Å²	68	120.7 Å²	120.7	70%	0.701	69%	0.687	S	S	*	*			trans	-134.5	52.8	-172.2	0	0	0	0	0	115.1
536	R	37.2	Very low	33.7	Very low	236 Å²	236	117.4 Å²	117.4	89%	0.891	69%	0.692	S	S	*	*	S	Bend	trans	-162.9	77.5	160.3	-115.2	171.2	-178.7	-178.6	0.3	112
537	G	32.1	Very low	33.2	Very low	59 Å²	59	121.5 Å²	121.5	61%	0.608	70%	0.703	S	S	*	*			trans	171	52	176.2	0	0	0	0	0	115.3
538	S	33.3	Very low	32.9	Very low	108 Å²	108	121.5 Å²	121.5	76%	0.755	71%	0.708	S	S	*	*			trans	-154.1	95.7	157.3	33.5	0	0	0	0	110.1	Y540	S538-Y540 PolarHBondContact O-N 3.24Å
539	N	33.1	Very low	32.6	Very low	170 Å²	170	124.3 Å²	124.3	91%	0.909	70%	0.702	S	S	*	*			trans	-70.7	78.8	159.2	-83.2	-15.4	0	0	0	108
540	Y	31	Very low	32.8	Very low	214 Å²	214	128.6 Å²	128.6	84%	0.839	71%	0.709	S	S	*	*	S	Bend	trans	-172.9	107.8	150.3	-114.2	-83.5	0	0	0	108.3	S538	S538-Y540 PolarHBondContact O-N 3.24Å
541	G	31.2	Very low	33.5	Very low	51 Å²	51	123.9 Å²	123.9	53%	0.526	70%	0.697	S	S	.	*			trans	68.7	55.1	156.9	0	0	0	0	0	118.2	L543 R617	G541-L543 PolarHBondContact O-N 2.82Å; G541-R617 PolarHBondContact O-NH1 3.39Å
542	S	31.2	Very low	34.5	Very low	86 Å²	86	122.1 Å²	122.1	60%	0.601	69%	0.691	S	S	*	*			trans	-68.4	111	140.6	67.1	0	0	0	0	106.7	L544	S542-L544 PolarHBondContact O-N 3.04Å
543	L	32.8	Very low	35.4	Very low	96 Å²	96	120.1 Å²	120.1	50%	0.503	67%	0.673	S	S	.	*			trans	-68.5	73.3	159.1	-94.4	158.6	0	0	0	107.3	G541 T545 N626 I629	G541-L543 PolarHBondContact O-N 2.82Å; L543-T545 PolarHBondContact O-N 3.12Å; L543-N626 WeakPolarHBondContact CD1-ND2 3.22Å; L543-I629 HydrophobicContact CD1-CD1 4.14Å; L543-I629 HydrophobicContact CD1-CG1 4.33Å
544	L	26.9	Very low	36.8	Very low	122 Å²	122	113.9 Å²	113.9	64%	0.639	65%	0.647	S	S	*	*			trans	-76.6	103.6	150.8	-85.5	158.3	0	0	0	104.2	S542	S542-L544 PolarHBondContact O-N 3.04Å
545	T	30.3	Very low	38.8	Very low	62 Å²	62	115.6 Å²	115.6	38%	0.38	64%	0.64	S	S	.	*			trans	-58.5	147.9	156.6	52.7	0	0	0	0	107.2	L543 E547 G548	L543-T545 PolarHBondContact O-N 3.12Å; T545-E547 PolarHBondContact O-N 2.87Å; T545-G548 PolarHBondContact O-N 3.1Å
546	T	31.2	Very low	41	Very low	152 Å²	152	113.3 Å²	113.3	93%	0.933	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	10.4	-174.5	36	0	0	0	0	115.4
547	E	29.1	Very low	43.1	Very low	151 Å²	151	102.3 Å²	102.3	71%	0.706	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.6	18.1	179.3	-63.6	-164.9	158	0	0	114.6	T545 Q549	T545-E547 PolarHBondContact O-N 2.87Å; E547-Q549 PolarHBondContact O-N 2.97Å
548	G	31.3	Very low	45.4	Very low	54 Å²	54	103 Å²	103	56%	0.557	56%	0.556	S	S	*	*			trans	62.5	19.9	170.8	0	0	0	0	0	115.1	T545	T545-G548 PolarHBondContact O-N 3.1Å
549	Q	31.1	Very low	47.6	Very low	133 Å²	133	99.2 Å²	99.2	62%	0.621	53%	0.526	S	S	*	.			trans	-91.8	115.9	176.2	-71.3	-177.5	-0.3	0	0	109.9	E547 Q551	E547-Q549 PolarHBondContact O-N 2.97Å; Q549-Q551 PolarHBondContact O-N 3.34Å
550	F	42.7	Very low	49.8	Very low	181 Å²	181	98.8 Å²	98.8	79%	0.794	52%	0.516	S	S	*	.			trans	-63.9	115	163.8	-79.4	-90.5	0	0	0	108.6	V552	F550-V552 PolarHBondContact O-N 3.03Å; F550-V552 VanDerWaalsContact O-N 3.15Å
551	Q	47.9	Very low	51.6	Low	131 Å²	131	91.7 Å²	91.7	61%	0.612	51%	0.507	S	S	*	.			trans	-74.7	106.5	175.9	-162.9	169.4	5.1	0	0	108.8	Q549 F553	Q549-Q551 PolarHBondContact O-N 3.34Å; Q551-F553 HydrophobicContact CB-CE1 4.47Å; Q551-F553 HydrophobicContact CB-CE2 4.3Å; Q551-F553 HydrophobicContact CB-CZ 4.02Å; Q551-F553 HydrophobicContact CG-CD1 4.47Å; Q551-F553 HydrophobicContact CG-CE1 3.96Å; Q551-F553 HydrophobicContact CG-CZ 4.02Å; Q551-F553 VanDerWaalsContact O-CD2 3.29Å; Q551-F553 WeakPolarHBondContact O-CD2 3.33Å; Q551-F553 VanDerWaalsContact O-CE2 3.29Å; Q551-F553 WeakPolarHBondContact O-CE2 3.26Å
552	V	52.1	Low	53.7	Low	81 Å²	81	94.8 Å²	94.8	49%	0.491	51%	0.512	S	S	.	.			trans	-85.9	109.9	176.8	175.9	0	0	0	0	108.1	F550 A554 T556	F550-V552 PolarHBondContact O-N 3.03Å; F550-V552 VanDerWaalsContact O-N 3.15Å; V552-A554 WeakPolarHBondContact CG1-O 3.4Å; V552-T556 HydrophobicContact CG1-CG2 4Å
553	F	57.1	Low	56	Low	77 Å²	77	93.6 Å²	93.6	34%	0.338	50%	0.499	S	S	.	.			trans	-81.3	-14.1	-172.9	-63.2	-81	0	0	0	114.1	Q551 D622	Q551-F553 HydrophobicContact CB-CE1 4.47Å; Q551-F553 HydrophobicContact CB-CE2 4.3Å; Q551-F553 HydrophobicContact CB-CZ 4.02Å; Q551-F553 HydrophobicContact CG-CD1 4.47Å; Q551-F553 HydrophobicContact CG-CE1 3.96Å; Q551-F553 HydrophobicContact CG-CZ 4.02Å; Q551-F553 VanDerWaalsContact O-CD2 3.29Å; Q551-F553 WeakPolarHBondContact O-CD2 3.33Å; Q551-F553 VanDerWaalsContact O-CE2 3.29Å; Q551-F553 WeakPolarHBondContact O-CE2 3.26Å; F553-D622 HydrophobicContact CD1-CB 4.36Å; F553-D622 HydrophobicContact CE1-CB 4.31Å
554	A	63.6	Low	58.4	Low	47 Å²	47	89.2 Å²	89.2	39%	0.388	48%	0.476	S	S	.	.	S	Bend	trans	-147.6	162.4	179.8	0	0	0	0	0	111.6	V552 T556 Y614	V552-A554 WeakPolarHBondContact CG1-O 3.4Å; A554-T556 PolarHBondContact O-N 3.21Å; A554-T556 VanDerWaalsContact O-N 3.08Å; A554-Y614 HydrophobicContact CB-CE2 4.41Å
555	K	75.9	Confident	61.2	Low	149 Å²	149	84.1 Å²	84.1	65%	0.648	45%	0.452	S	S	*	.			trans	-63.7	113.5	174.3	-71.5	178.9	-178.8	172.8	0	109.9	V566	K555-V566 PolarHBondContact O-N 2.88Å
556	T	80.6	Confident	63.8	Low	20 Å²	20	82 Å²	82	12%	0.123	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	153.6	-178.2	49.4	0	0	0	0	112.9	S518 V552 A554 L563 V564 Y614	S518-T556 PolarHBondContact OG-O 3.37Å; S518-T556 PolarHBondContact OG-OG1 3.31Å; V552-T556 HydrophobicContact CG1-CG2 4Å; A554-T556 PolarHBondContact O-N 3.21Å; A554-T556 VanDerWaalsContact O-N 3.08Å; T556-L563 HydrophobicContact CG2-CD1 4.19Å; T556-L563 HydrophobicContact CG2-CG 4.38Å; T556-V564 WeakPolarHBondContact CA-O 3.42Å; T556-Y614 HydrophobicContact CG2-CD2 3.56Å; T556-Y614 HydrophobicContact CG2-CE2 3.54Å; T556-Y614 HydrophobicContact CG2-CG 4.08Å
557	A	81.6	Confident	66.3	Low	4 Å²	4	79.4 Å²	79.4	3%	0.033	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	166.2	166.7	0	0	0	0	0	110.5	V515 E516 V564 V566	V515-A557 HydrophobicContact CG1-CB 3.39Å; E516-A557 WeakPolarHBondContact O-CA 3.26Å; E516-A557 WeakPolarHBondContact O-CB 3.17Å; A557-V564 HydrophobicContact CB-CG2 4.48Å; A557-V564 PolarHBondContact N-O 3.42Å; A557-V564 VanDerWaalsContact O-CG2 3.26Å; A557-V564 WeakPolarHBondContact O-CG2 3.42Å; A557-V564 PolarHBondContact O-N 3.39Å; A557-V566 HydrophobicContact CB-CG2 3.42Å; A557-V566 VanDerWaalsContact CB-CG2 3.42Å
558	Y	79.6	Confident	68.7	Low	73 Å²	73	79.5 Å²	79.5	29%	0.286	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	127.8	170	-73.9	-89.1	0	0	0	110	E516 N562 L563	E516-Y558 PolarHBondContact N-O 2.92Å; E516-Y558 PolarHBondContact O-N 2.84Å; Y558-N562 WeakPolarHBondContact CA-O 3.4Å; Y558-L563 HydrophobicContact CD2-CD1 4.33Å; Y558-L563 HydrophobicContact CE1-CB 4.16Å; Y558-L563 HydrophobicContact CE1-CD1 4.17Å; Y558-L563 HydrophobicContact CE2-CD1 3.93Å
559	Y	79.8	Confident	70.9	Confident	29 Å²	29	77.5 Å²	77.5	11%	0.114	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	118	171.4	176.7	-112.4	0	0	0	108.8	V510 D514 V515 G561 N562 V599	V510-Y559 HydrophobicContact CB-CE2 4.36Å; V510-Y559 HydrophobicContact CG1-CD2 3.76Å; V510-Y559 HydrophobicContact CG1-CE2 3.44Å; V510-Y559 VanDerWaalsContact CG1-CE2 3.44Å; V510-Y559 HydrophobicContact CG2-CE1 4.22Å; V510-Y559 HydrophobicContact CG2-CE2 4.11Å; D514-Y559 HydrophobicContact CB-CD2 4.03Å; D514-Y559 HydrophobicContact CB-CE2 3.77Å; D514-Y559 WeakPolarHBondContact O-CD2 3.31Å; V515-Y559 HydrophobicContact CG2-CD2 4.46Å; Y559-G561 PolarHBondContact O-N 3.18Å; Y559-N562 PolarHBondContact N-O 3.16Å; Y559-N562 PolarHBondContact O-N 3.05Å; Y559-V599 HydrophobicContact CD1-CG1 3.63Å; Y559-V599 HydrophobicContact CE1-CG1 3.91Å
560	K	78.1	Confident	72.8	Confident	162 Å²	162	77.1 Å²	77.1	70%	0.704	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	38.3	-176.1	-61.5	-177.5	175.7	178.8	0	113.7	N562	K560-N562 VanDerWaalsContact C-N 3.34Å; K560-N562 PolarHBondContact O-N 3.16Å
561	G	68.9	Low	74	Confident	64 Å²	64	72.9 Å²	72.9	66%	0.66	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	-6.6	179.8	0	0	0	0	0	115.8	Y559	Y559-G561 PolarHBondContact O-N 3.18Å
562	N	75.6	Confident	74.9	Confident	116 Å²	116	76.2 Å²	76.2	62%	0.62	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	138.5	177.4	-65.4	-35.2	0	0	0	111.3	Y558 Y559 K560	Y558-N562 WeakPolarHBondContact CA-O 3.4Å; Y559-N562 PolarHBondContact N-O 3.16Å; Y559-N562 PolarHBondContact O-N 3.05Å; K560-N562 VanDerWaalsContact C-N 3.34Å; K560-N562 PolarHBondContact O-N 3.16Å
563	L	79.6	Confident	75.7	Confident	61 Å²	61	81.4 Å²	81.4	32%	0.319	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	125.4	174.3	-171	68.5	0	0	0	109.8	T556 Y558 Y614	T556-L563 HydrophobicContact CG2-CD1 4.19Å; T556-L563 HydrophobicContact CG2-CG 4.38Å; Y558-L563 HydrophobicContact CD2-CD1 4.33Å; Y558-L563 HydrophobicContact CE1-CB 4.16Å; Y558-L563 HydrophobicContact CE1-CD1 4.17Å; Y558-L563 HydrophobicContact CE2-CD1 3.93Å; L563-Y614 HydrophobicContact CD2-CD1 3.54Å; L563-Y614 HydrophobicContact CD2-CE1 3.95Å; L563-Y614 HydrophobicContact CD2-CG 4.18Å; L563-Y614 HydrophobicContact CG-CD1 4.19Å; L563-Y614 HydrophobicContact CG-CG 4.37Å
564	V	84.5	Confident	76.4	Confident	4 Å²	4	78.7 Å²	78.7	2%	0.024	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	148.4	-176.8	-65.8	0	0	0	0	111.2	T556 A557 V599 L611 T612	T556-V564 WeakPolarHBondContact CA-O 3.42Å; A557-V564 HydrophobicContact CB-CG2 4.48Å; A557-V564 PolarHBondContact N-O 3.42Å; A557-V564 VanDerWaalsContact O-CG2 3.26Å; A557-V564 WeakPolarHBondContact O-CG2 3.42Å; A557-V564 PolarHBondContact O-N 3.39Å; V564-V599 HydrophobicContact CG1-CG1 4.34Å; V564-V599 HydrophobicContact CG1-CG2 4.07Å; V564-L611 HydrophobicContact CG2-CD2 3.83Å; V564-T612 WeakPolarHBondContact CA-O 3.39Å; V564-T612 WeakPolarHBondContact CB-O 3.46Å
565	A	85.1	Confident	76.8	Confident	16 Å²	16	83.5 Å²	83.5	13%	0.132	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	131.5	172.1	0	0	0	0	0	109.7	L611 T612 Y614	A565-L611 WeakPolarHBondContact O-CA 3.25Å; A565-T612 PolarHBondContact N-O 2.83Å; A565-T612 PolarHBondContact O-N 3.3Å; A565-T612 VanDerWaalsContact O-N 3.08Å; A565-Y614 HydrophobicContact CB-CD2 4.33Å
566	V	84.8	Confident	76.7	Confident	18 Å²	18	79.6 Å²	79.6	11%	0.109	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	113.7	-175.7	-169	0	0	0	0	110.5	K555 A557 C609 L611	K555-V566 PolarHBondContact O-N 2.88Å; A557-V566 HydrophobicContact CB-CG2 3.42Å; A557-V566 VanDerWaalsContact CB-CG2 3.42Å; V566-C609 HydrophobicContact CG1-CB 3.8Å; V566-L611 HydrophobicContact CB-CD2 4.26Å; V566-L611 HydrophobicContact CG1-CD2 4.12Å; V566-L611 HydrophobicContact CG2-CD2 3.69Å
567	K	83.1	Confident	76.6	Confident	96 Å²	96	82 Å²	82	42%	0.417	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	114.7	173.4	-172.2	175.3	-179.4	172.9	0	110.3	C609 I610 D678	K567-C609 CarbonylContact O-C 3.56Å; K567-C609 WeakPolarHBondContact O-CA 3.27Å; K567-C609 WeakPolarHBondContact O-CB 3.29Å; K567-I610 HydrophobicContact CB-CB 4.46Å; K567-I610 PolarHBondContact N-O 3.43Å; K567-I610 PolarHBondContact O-N 2.82Å; K567-D678 WeakPolarHBondContact CD-OD1 3.45Å; K567-D678 IonicContact NZ-OD1 3.09Å; K567-D678 PolarHBondContact NZ-OD1 2.71Å; K567-D678 IonicContact NZ-OD2 3.46Å; K567-D678 PolarHBondContact NZ-OD2 2.63Å
568	R	78.9	Confident	76.3	Confident	153 Å²	153	91.7 Å²	91.7	58%	0.577	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	136.7	176.3	-64.5	-173.4	-177.9	-178	-1.1	110.2	I608 C609	R568-I608 WeakPolarHBondContact CA-O 3.3Å; R568-C609 HydrophobicContact CG-CB 4.47Å
569	V	78.6	Confident	76.1	Confident	13 Å²	13	94.1 Å²	94.1	8%	0.079	44%	0.441	C	S	.	.			trans	-104	128.6	178	-179.9	0	0	0	0	108.6	R571 I608 I610 F684	V569-R571 VanDerWaalsContact C-N 3.28Å; V569-R571 HydrophobicContact CG1-CB 4.41Å; V569-R571 HydrophobicContact CG1-CG 4.17Å; V569-R571 PolarHBondContact O-N 3.45Å; V569-I608 HydrophobicContact CB-CB 4.43Å; V569-I608 HydrophobicContact CB-CG2 3.96Å; V569-I608 HydrophobicContact CG2-CG2 4.44Å; V569-I608 PolarHBondContact N-O 3.31Å; V569-I610 HydrophobicContact CG2-CD1 3.96Å; V569-I610 HydrophobicContact CG2-CG1 4.26Å; V569-F684 HydrophobicContact CG2-CD1 4.48Å
570	N	69.8	Low	76	Confident	125 Å²	125	93 Å²	93	67%	0.668	44%	0.437	S	S	*	.			trans	-87.2	62	-173.9	-163.1	17.5	0	0	0	111.9	D686	N570-D686 PolarHBondContact N-OD2 3.46Å
571	R	69.8	Low	75.9	Confident	91 Å²	91	87.1 Å²	87.1	34%	0.343	41%	0.413	S	S	.	.			trans	-126.7	141.5	176.5	-70.9	-165.8	179.3	-174.6	5.9	112.1	V569 I574 I608 S683 R685	V569-R571 VanDerWaalsContact C-N 3.28Å; V569-R571 HydrophobicContact CG1-CB 4.41Å; V569-R571 HydrophobicContact CG1-CG 4.17Å; V569-R571 PolarHBondContact O-N 3.45Å; R571-I574 HydrophobicContact CB-CG1 4.31Å; R571-I608 VanDerWaalsContact O-CD1 3.28Å; R571-I608 WeakPolarHBondContact O-CD1 3.4Å; R571-S683 PolarHBondContact NH1-O 2.89Å; R571-R685 PolarHBondContact NH2-O 3.48Å
572	K	65.9	Low	76.4	Confident	202 Å²	202	88.7 Å²	88.7	88%	0.878	40%	0.402	S	S	*	.	S	Bend	trans	-69.2	-33.8	179.5	-66.4	-176.6	179.8	178.9	0	113
573	R	68.6	Low	76.6	Confident	190 Å²	190	84.6 Å²	84.6	72%	0.717	38%	0.379	S	S	*	.			trans	-161.5	146.2	176.9	-167.7	176.3	-178.2	-170.6	0.1	109.6
574	I	72	Confident	76.7	Confident	20 Å²	20	81.7 Å²	81.7	10%	0.103	36%	0.364	C	S	.	.			trans	-117	124.5	171.2	-62.8	177.4	0	0	0	108	R571 I608 F684	R571-I574 HydrophobicContact CB-CG1 4.31Å; I574-I608 HydrophobicContact CD1-CD1 4.2Å; I574-I608 HydrophobicContact CD1-CG2 3.76Å; I574-I608 HydrophobicContact CG1-CD1 4.01Å; I574-F684 HydrophobicContact CD1-CD1 3.36Å; I574-F684 HydrophobicContact CD1-CE1 3.31Å; I574-F684 HydrophobicContact CD1-CG 4.3Å; I574-F684 HydrophobicContact CD1-CZ 4.22Å; I574-F684 HydrophobicContact CG2-CE1 4.37Å; I574-F684 HydrophobicContact CG2-CZ 4.29Å
575	E	71.8	Confident	76.5	Confident	148 Å²	148	82.6 Å²	82.6	69%	0.692	37%	0.367	S	S	*	.			trans	-80.8	119.5	173.7	-69.9	-175.3	175.4	0	0	110	T577	E575-T577 VanDerWaalsContact C-N 3.26Å; E575-T577 PolarHBondContact O-N 3.41Å
576	L	74.2	Confident	76.3	Confident	67 Å²	67	84.6 Å²	84.6	35%	0.351	37%	0.374	S	S	.	.			trans	-76.2	76.1	178.6	-67.7	171.6	0	0	0	110.5	W508 V580 L581 L584 T603	W508-L576 HydrophobicContact CH2-CD1 3.99Å; W508-L576 HydrophobicContact CH2-CD2 3.74Å; W508-L576 HydrophobicContact CZ2-CD1 4.44Å; W508-L576 HydrophobicContact CZ2-CD2 4.26Å; L576-V580 HydrophobicContact CD2-CG1 4.19Å; L576-L581 HydrophobicContact CB-CD2 4.43Å; L576-L581 HydrophobicContact CD2-CD2 4.26Å; L576-L584 HydrophobicContact CD2-CD1 4.34Å; L576-T603 HydrophobicContact CD2-CG2 4.38Å
577	T	78.7	Confident	76.2	Confident	69 Å²	69	84.3 Å²	84.3	42%	0.423	37%	0.371	S	S	.	.			trans	-73.1	161.1	171.4	64.7	0	0	0	0	111	E575 K579 V580 L581	E575-T577 VanDerWaalsContact C-N 3.26Å; E575-T577 PolarHBondContact O-N 3.41Å; T577-K579 PolarHBondContact O-N 3.02Å; T577-K579 VanDerWaalsContact O-N 3.13Å; T577-V580 PolarHBondContact O-N 2.9Å; T577-V580 WeakPolarHBondContact OG1-CG2 3.41Å; T577-L581 PolarHBondContact O-N 2.91Å
578	R	74.3	Confident	76.1	Confident	209 Å²	209	82.7 Å²	82.7	79%	0.789	36%	0.363	S	S	*	.	H	α-helix	trans	-53.3	-34.9	176.1	-175.1	178.9	178.1	177.2	2.4	112.7	F582	R578-F582 WeakPolarHBondContact O-CB 3.32Å; R578-F582 PolarHBondContact O-N 3.38Å; R578-F582 VanDerWaalsContact O-N 3.17Å
579	K	75.9	Confident	76.1	Confident	124 Å²	124	80 Å²	80	54%	0.539	36%	0.36	S	S	.	.	H	α-helix	trans	-64.8	-45.1	176.4	-170.5	-172.9	172.3	-158.1	0	111.2	T577 F582 E583 E682	T577-K579 PolarHBondContact O-N 3.02Å; T577-K579 VanDerWaalsContact O-N 3.13Å; K579-F582 WeakPolarHBondContact O-CB 3.46Å; K579-F582 PolarHBondContact O-N 3.37Å; K579-E583 VanDerWaalsContact CE-OE1 3.27Å; K579-E583 WeakPolarHBondContact CE-OE1 3.43Å; K579-E583 IonicContact NZ-OE1 3.07Å; K579-E583 WeakPolarHBondContact O-CG 3.41Å; K579-E583 PolarHBondContact O-N 2.9Å; K579-E682 IonicContact NZ-OE2 3.99Å; K579-E682 PolarHBondContact NZ-OE2 3.2Å
580	V	77.6	Confident	76.4	Confident	6 Å²	6	80.5 Å²	80.5	4%	0.036	36%	0.363	C	S	.	.	H	α-helix	trans	-66.5	-41.7	179.8	178.1	0	0	0	0	111.9	L576 T577 F582 E583 L584 F684	L576-V580 HydrophobicContact CD2-CG1 4.19Å; T577-V580 PolarHBondContact O-N 2.9Å; T577-V580 WeakPolarHBondContact OG1-CG2 3.41Å; V580-F582 VanDerWaalsContact C-N 3.28Å; V580-F582 PolarHBondContact O-N 3.5Å; V580-E583 WeakPolarHBondContact O-CB 3.2Å; V580-E583 PolarHBondContact O-N 3.44Å; V580-L584 HydrophobicContact CG1-CD1 4.05Å; V580-L584 WeakPolarHBondContact O-CG 3.21Å; V580-L584 PolarHBondContact O-N 2.79Å; V580-F684 HydrophobicContact CG1-CE2 3.71Å; V580-F684 HydrophobicContact CG1-CZ 4.11Å
581	L	77.3	Confident	76.9	Confident	38 Å²	38	80.6 Å²	80.6	20%	0.199	36%	0.36	C	S	.	.	H	α-helix	trans	-63.2	-36.8	176.1	-69.4	173.6	0	0	0	112.1	L503 W508 L576 T577 K585	L503-L581 HydrophobicContact CD2-CB 3.88Å; W508-L581 HydrophobicContact CH2-CD2 4.36Å; W508-L581 HydrophobicContact CZ2-CD2 3.39Å; L576-L581 HydrophobicContact CB-CD2 4.43Å; L576-L581 HydrophobicContact CD2-CD2 4.26Å; T577-L581 PolarHBondContact O-N 2.91Å; L581-K585 WeakPolarHBondContact O-CB 3.46Å; L581-K585 PolarHBondContact O-N 3.38Å
582	F	78	Confident	77.7	Confident	97 Å²	97	78.7 Å²	78.7	43%	0.425	36%	0.356	S	S	.	.	H	α-helix	trans	-68.9	-41.2	176	-164.5	-110.8	0	0	0	111.7	R578 K579 V580 K585 H586	R578-F582 WeakPolarHBondContact O-CB 3.32Å; R578-F582 PolarHBondContact O-N 3.38Å; R578-F582 VanDerWaalsContact O-N 3.17Å; K579-F582 WeakPolarHBondContact O-CB 3.46Å; K579-F582 PolarHBondContact O-N 3.37Å; V580-F582 VanDerWaalsContact C-N 3.28Å; V580-F582 PolarHBondContact O-N 3.5Å; F582-K585 PolarHBondContact O-N 3.21Å; F582-H586 AromaticContact CD1-CE1 3.56Å; F582-H586 AromaticContact CD1-ND1 3.9Å; F582-H586 AromaticContact CE1-CE1 2.94Å; F582-H586 WeakPolarHBondContact CE1-CE1 3.1Å; F582-H586 AromaticContact CE1-ND1 3.72Å; F582-H586 AromaticContact CE1-NE2 3.43Å; F582-H586 WeakPolarHBondContact CE1-NE2 3.39Å; F582-H586 AromaticContact CE2-NE2 3.63Å; F582-H586 AromaticContact CZ-CE1 3.22Å; F582-H586 WeakPolarHBondContact CZ-CE1 3.39Å; F582-H586 AromaticContact CZ-NE2 3.17Å; F582-H586 WeakPolarHBondContact CZ-NE2 3.22Å; F582-H586 WeakPolarHBondContact O-CB 3.45Å; F582-H586 PolarHBondContact O-N 3.48Å
583	E	80.4	Confident	78.7	Confident	30 Å²	30	74 Å²	74	14%	0.14	34%	0.338	C	S	.	.	H	α-helix	trans	-58.1	-47.3	172.1	-74.3	171.7	-160.2	0	0	111.8	K579 V580 H586 M587 S683	K579-E583 VanDerWaalsContact CE-OE1 3.27Å; K579-E583 WeakPolarHBondContact CE-OE1 3.43Å; K579-E583 IonicContact NZ-OE1 3.07Å; K579-E583 WeakPolarHBondContact O-CG 3.41Å; K579-E583 PolarHBondContact O-N 2.9Å; V580-E583 WeakPolarHBondContact O-CB 3.2Å; V580-E583 PolarHBondContact O-N 3.44Å; E583-H586 PolarHBondContact O-N 3.36Å; E583-M587 VanDerWaalsContact O-CG 3.29Å; E583-M587 WeakPolarHBondContact O-CG 3.27Å; E583-M587 PolarHBondContact O-N 3.17Å; E583-S683 PolarHBondContact OE1-OG 2.78Å; E583-S683 WeakPolarHBondContact OE2-CB 3.34Å; E583-S683 PolarHBondContact OE2-N 3.35Å; E583-S683 PolarHBondContact OE2-OG 3.27Å
584	L	81.4	Confident	79.8	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-66.4	-37.9	179.1	-72.6	163.4	0	0	0	112.9	W508 L576 V580 R588 F598 A601 L681 F684	W508-L584 HydrophobicContact CD2-CB 4.2Å; W508-L584 HydrophobicContact CD2-CD1 3.98Å; W508-L584 HydrophobicContact CE3-CD1 3.81Å; W508-L584 HydrophobicContact CE3-CD2 4.43Å; W508-L584 HydrophobicContact CG-CB 4.22Å; W508-L584 HydrophobicContact CH2-CD1 3.92Å; W508-L584 HydrophobicContact CZ2-CD1 4.06Å; W508-L584 HydrophobicContact CZ3-CD1 3.78Å; L576-L584 HydrophobicContact CD2-CD1 4.34Å; V580-L584 HydrophobicContact CG1-CD1 4.05Å; V580-L584 WeakPolarHBondContact O-CG 3.21Å; V580-L584 PolarHBondContact O-N 2.79Å; L584-R588 PolarHBondContact O-N 3.03Å; L584-F598 HydrophobicContact CD2-CZ 3.86Å; L584-A601 HydrophobicContact CD2-CB 3.99Å; L584-L681 HydrophobicContact CD2-CD2 3.7Å; L584-L681 HydrophobicContact CG-CD2 4.24Å; L584-F684 HydrophobicContact CD1-CE2 4.22Å; L584-F684 HydrophobicContact CD1-CZ 4.1Å; L584-F684 HydrophobicContact CD2-CE2 4.04Å; L584-F684 HydrophobicContact CD2-CZ 4.15Å; L584-F684 HydrophobicContact CG-CE2 4.16Å; L584-F684 HydrophobicContact CG-CZ 4.43Å
585	K	80.3	Confident	80.7	Confident	22 Å²	22	64.9 Å²	64.9	10%	0.096	30%	0.303	C	S	.	.	H	α-helix	trans	-62.7	-50.6	174.3	-176.8	176.4	-179	176.9	0	110.5	E502 L503 L581 F582 M587 R588 D589	E502-K585 IonicContact OE2-NZ 2.79Å; E502-K585 PolarHBondContact OE2-NZ 3.41Å; L503-K585 HydrophobicContact CG-CD 4.49Å; L581-K585 WeakPolarHBondContact O-CB 3.46Å; L581-K585 PolarHBondContact O-N 3.38Å; F582-K585 PolarHBondContact O-N 3.21Å; K585-M587 VanDerWaalsContact C-N 3.31Å; K585-M587 PolarHBondContact O-N 2.98Å; K585-R588 PolarHBondContact O-N 3.32Å; K585-R588 VanDerWaalsContact O-N 3.09Å; K585-D589 WeakPolarHBondContact CG-OD2 3.48Å; K585-D589 PolarHBondContact O-N 3.26Å
586	H	80.9	Confident	81.5	Confident	58 Å²	58	58 Å²	58	27%	0.269	27%	0.27	S	S	.	.	H	α-helix	trans	-58.1	-42.1	178.2	-75.7	-178.4	0	0	0	112.8	F582 E583 R588 D589 V590	F582-H586 AromaticContact CD1-CE1 3.56Å; F582-H586 AromaticContact CD1-ND1 3.9Å; F582-H586 AromaticContact CE1-CE1 2.94Å; F582-H586 WeakPolarHBondContact CE1-CE1 3.1Å; F582-H586 AromaticContact CE1-ND1 3.72Å; F582-H586 AromaticContact CE1-NE2 3.43Å; F582-H586 WeakPolarHBondContact CE1-NE2 3.39Å; F582-H586 AromaticContact CE2-NE2 3.63Å; F582-H586 AromaticContact CZ-CE1 3.22Å; F582-H586 WeakPolarHBondContact CZ-CE1 3.39Å; F582-H586 AromaticContact CZ-NE2 3.17Å; F582-H586 WeakPolarHBondContact CZ-NE2 3.22Å; F582-H586 WeakPolarHBondContact O-CB 3.45Å; F582-H586 PolarHBondContact O-N 3.48Å; E583-H586 PolarHBondContact O-N 3.36Å; H586-R588 PolarHBondContact O-N 2.87Å; H586-D589 PolarHBondContact O-N 2.92Å; H586-V590 VanDerWaalsContact O-CG2 3.26Å; H586-V590 WeakPolarHBondContact O-CG2 3.4Å; H586-V590 PolarHBondContact O-N 3.16Å
587	M	82	Confident	82.2	Confident	12 Å²	12	61.5 Å²	61.5	6%	0.059	28%	0.279	C	S	.	.	H	α-helix	trans	-60.2	-32.9	177.7	-76.3	-65.4	-62.7	0	0	113.2	E583 K585 F598 I655 Y679 L681	E583-M587 VanDerWaalsContact O-CG 3.29Å; E583-M587 WeakPolarHBondContact O-CG 3.27Å; E583-M587 PolarHBondContact O-N 3.17Å; K585-M587 VanDerWaalsContact C-N 3.31Å; K585-M587 PolarHBondContact O-N 2.98Å; M587-F598 HydrophobicContact CB-CB 4.42Å; M587-F598 HydrophobicContact CB-CD1 4.13Å; M587-F598 HydrophobicContact CB-CD2 4.44Å; M587-F598 HydrophobicContact CB-CE1 4.5Å; M587-F598 HydrophobicContact CB-CG 4.09Å; M587-F598 HydrophobicContact CE-CD2 4.41Å; M587-F598 WeakPolarHBondContact O-CB 3.27Å; M587-I655 HydrophobicContact SD-CD1 3.76Å; M587-Y679 HydrophobicContact CE-CD2 3.71Å; M587-Y679 HydrophobicContact CE-CE2 3.45Å; M587-Y679 VanDerWaalsContact CE-CE2 3.45Å; M587-Y679 WeakPolarHBondContact CE-O 3.42Å; M587-Y679 HydrophobicContact SD-CD2 3.78Å; M587-Y679 HydrophobicContact SD-CE2 3.68Å; M587-L681 HydrophobicContact CE-CD1 4.31Å; M587-L681 HydrophobicContact CE-CG 4.24Å; M587-L681 HydrophobicContact CG-CD2 3.74Å; M587-L681 HydrophobicContact CG-CG 3.81Å; M587-L681 HydrophobicContact SD-CG 4.35Å
588	R	81.4	Confident	82.7	Confident	62 Å²	62	58.5 Å²	58.5	23%	0.234	26%	0.26	C	S	.	.	H	α-helix	trans	-80.3	-34.6	177.3	-176.2	165.7	60.3	166.3	-1.9	113.7	L507 L584 K585 H586 V590 F598	L507-R588 PolarHBondContact O-NH1 3.46Å; L584-R588 PolarHBondContact O-N 3.03Å; K585-R588 PolarHBondContact O-N 3.32Å; K585-R588 VanDerWaalsContact O-N 3.09Å; H586-R588 PolarHBondContact O-N 2.87Å; R588-V590 PolarHBondContact O-N 3.4Å; R588-F598 HydrophobicContact CB-CD1 4.09Å
589	D	80.4	Confident	83.2	Confident	96 Å²	96	50.6 Å²	50.6	51%	0.513	24%	0.235	S	C	.	.	H	α-helix	trans	-74.1	-21.4	179.8	-63.9	-14.3	0	0	0	111.2	K585 H586 Q591	K585-D589 WeakPolarHBondContact CG-OD2 3.48Å; K585-D589 PolarHBondContact O-N 3.26Å; H586-D589 PolarHBondContact O-N 2.92Å; D589-Q591 PolarHBondContact O-N 3.1Å
590	V	83.4	Confident	83.8	Confident	25 Å²	25	44.7 Å²	44.7	15%	0.152	21%	0.209	C	C	.	.			trans	-67.4	113.9	172.5	166.9	0	0	0	0	110.6	H586 R588 L595 F649 I655 Y679	H586-V590 VanDerWaalsContact O-CG2 3.26Å; H586-V590 WeakPolarHBondContact O-CG2 3.4Å; H586-V590 PolarHBondContact O-N 3.16Å; R588-V590 PolarHBondContact O-N 3.4Å; V590-L595 HydrophobicContact CG1-CD1 3.75Å; V590-F649 HydrophobicContact CG1-CE1 3.85Å; V590-I655 HydrophobicContact CG2-CD1 4.26Å; V590-Y679 HydrophobicContact CG1-CE2 4.11Å
591	Q	80.7	Confident	84.2	Confident	127 Å²	127	44.4 Å²	44.4	59%	0.593	21%	0.208	S	C	*	.			trans	-128.5	122	171	-63	-176.7	16	0	0	109.3	D589	D589-Q591 PolarHBondContact O-N 3.1Å
592	N	87.3	Confident	84.5	Confident	50 Å²	50	42.6 Å²	42.6	27%	0.267	20%	0.198	S	C	.	.			trans	-151.8	147	174.9	-172.6	-89.4	0	0	0	108.8	H594 L595 F649	N592-H594 VanDerWaalsContact C-N 3.26Å; N592-H594 PolarHBondContact O-N 2.93Å; N592-H594 PolarHBondContact OD1-N 3.22Å; N592-L595 HydrophobicContact CB-CB 4.17Å; N592-L595 HydrophobicContact CB-CD1 4.07Å; N592-L595 HydrophobicContact CB-CG 4.01Å; N592-L595 PolarHBondContact O-N 3.36Å; N592-F649 HydrophobicContact CB-CD1 4.03Å; N592-F649 HydrophobicContact CB-CD2 4.37Å; N592-F649 HydrophobicContact CB-CE1 4.04Å; N592-F649 HydrophobicContact CB-CE2 4.37Å; N592-F649 HydrophobicContact CB-CG 4.19Å; N592-F649 HydrophobicContact CB-CZ 4.2Å; N592-F649 VanDerWaalsContact ND2-CD2 3.34Å; N592-F649 WeakPolarHBondContact ND2-CD2 3.42Å
593	E	85.7	Confident	84.6	Confident	105 Å²	105	38.8 Å²	38.8	49%	0.491	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-31.1	-179.9	-175.3	165.7	-157	0	0	112.9	R671 V673 K675	E593-R671 IonicContact OE1-NH2 2.92Å; E593-R671 PolarHBondContact OE1-NH2 3.36Å; E593-V673 HydrophobicContact CG-CG1 4.3Å; E593-K675 WeakPolarHBondContact O-CE 3.24Å; E593-K675 WeakPolarHBondContact O-CG 3.25Å
594	H	91.8	Very high	84.5	Confident	16 Å²	16	39.3 Å²	39.3	7%	0.074	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	16.5	-178.1	-56.5	-65.8	0	0	0	113.5	N592 D642 K645 L674 K675 I676	N592-H594 VanDerWaalsContact C-N 3.26Å; N592-H594 PolarHBondContact O-N 2.93Å; N592-H594 PolarHBondContact OD1-N 3.22Å; H594-D642 VanDerWaalsContact CE1-CG 3.45Å; H594-D642 IonicContact CE1-OD1 2.79Å; H594-D642 PolarHBondContact CE1-OD1 3.49Å; H594-D642 IonicContact ND1-OD1 2.84Å; H594-D642 IonicContact NE2-OD1 2.77Å; H594-K645 WeakPolarHBondContact NE2-CD 3.49Å; H594-L674 PolarHBondContact ND1-O 2.64Å; H594-K675 CarbonylContact O-C 3.56Å; H594-K675 WeakPolarHBondContact O-CA 3.47Å; H594-I676 PolarHBondContact O-N 3.41Å
595	L	91.1	Very high	84.1	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.01	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-126	141.7	172.5	-64	-176.3	0	0	0	110	V590 N592 R597 F649 L650 I676 Y679	V590-L595 HydrophobicContact CG1-CD1 3.75Å; N592-L595 HydrophobicContact CB-CB 4.17Å; N592-L595 HydrophobicContact CB-CD1 4.07Å; N592-L595 HydrophobicContact CB-CG 4.01Å; N592-L595 PolarHBondContact O-N 3.36Å; L595-R597 PolarHBondContact O-N 3.22Å; L595-F649 HydrophobicContact CD1-CD1 3.52Å; L595-F649 HydrophobicContact CD1-CE1 3.79Å; L595-F649 HydrophobicContact CG-CD1 4.49Å; L595-L650 HydrophobicContact CD1-CD2 3.64Å; L595-L650 HydrophobicContact CD1-CG 4Å; L595-L650 HydrophobicContact CD2-CD1 3.78Å; L595-L650 HydrophobicContact CD2-CD2 4.15Å; L595-L650 HydrophobicContact CD2-CG 3.84Å; L595-I676 HydrophobicContact CD2-CB 3.78Å; L595-I676 HydrophobicContact CD2-CD1 4.5Å; L595-I676 HydrophobicContact CD2-CG1 4.42Å; L595-Y679 HydrophobicContact CB-CE1 3.8Å; L595-Y679 HydrophobicContact CD1-CE1 4.32Å; L595-Y679 HydrophobicContact CD1-CE2 4.43Å; L595-Y679 HydrophobicContact CD2-CD1 4.16Å; L595-Y679 HydrophobicContact CD2-CE1 4.1Å; L595-Y679 HydrophobicContact CG-CE1 4.3Å
596	T	89.3	Confident	83.6	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.012	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-69.4	128.2	176.1	56.1	0	0	0	0	111	F598 V667 K675 I676 T677 Y679	T596-F598 PolarHBondContact O-N 2.92Å; T596-V667 HydrophobicContact CG2-CG2 3.42Å; T596-V667 VanDerWaalsContact CG2-CG2 3.42Å; T596-K675 HydrophobicContact CG2-CB 3.95Å; T596-I676 PolarHBondContact N-O 3.05Å; T596-I676 PolarHBondContact OG1-O 2.81Å; T596-T677 WeakPolarHBondContact OG1-CA 3.28Å; T596-T677 WeakPolarHBondContact OG1-CB 2.99Å; T596-T677 PolarHBondContact OG1-OG1 3.27Å; T596-Y679 PolarHBondContact O-OH 3.3Å
597	R	88.4	Confident	83.3	Confident	142 Å²	142	47.3 Å²	47.3	54%	0.536	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-64.5	128.2	179.4	-176.3	178.4	176	133.3	-0.3	111.5	L595 V599 T612 E613	L595-R597 PolarHBondContact O-N 3.22Å; R597-V599 PolarHBondContact O-N 3.31Å; R597-T612 WeakPolarHBondContact O-CA 3.47Å; R597-E613 HydrophobicContact CB-CB 4.32Å; R597-E613 PolarHBondContact O-N 3.35Å
598	F	89.1	Confident	83.3	Confident	6 Å²	6	46.9 Å²	46.9	3%	0.026	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	119.9	170.1	-179.2	-101.4	0	0	0	110.1	W508 L584 M587 R588 T596 A601 I610 L681	W508-F598 HydrophobicContact CB-CE1 4.47Å; L584-F598 HydrophobicContact CD2-CZ 3.86Å; M587-F598 HydrophobicContact CB-CB 4.42Å; M587-F598 HydrophobicContact CB-CD1 4.13Å; M587-F598 HydrophobicContact CB-CD2 4.44Å; M587-F598 HydrophobicContact CB-CE1 4.5Å; M587-F598 HydrophobicContact CB-CG 4.09Å; M587-F598 HydrophobicContact CE-CD2 4.41Å; M587-F598 WeakPolarHBondContact O-CB 3.27Å; R588-F598 HydrophobicContact CB-CD1 4.09Å; T596-F598 PolarHBondContact O-N 2.92Å; F598-A601 HydrophobicContact CZ-CB 4Å; F598-I610 HydrophobicContact CD2-CG2 4.25Å; F598-I610 HydrophobicContact CE2-CG2 3.83Å; F598-L681 HydrophobicContact CD2-CD1 4.47Å; F598-L681 HydrophobicContact CE2-CD1 3.94Å
599	V	85.9	Confident	83.4	Confident	43 Å²	43	44 Å²	44	26%	0.261	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-40.6	-178.6	179.7	0	0	0	0	110.5	Y559 V564 R597 L611	Y559-V599 HydrophobicContact CD1-CG1 3.63Å; Y559-V599 HydrophobicContact CE1-CG1 3.91Å; V564-V599 HydrophobicContact CG1-CG1 4.34Å; V564-V599 HydrophobicContact CG1-CG2 4.07Å; R597-V599 PolarHBondContact O-N 3.31Å; V599-L611 HydrophobicContact CB-CB 4.16Å; V599-L611 WeakPolarHBondContact CB-O 3.5Å; V599-L611 PolarHBondContact N-O 3.27Å
600	G	86.8	Confident	83.8	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.2	-179.6	177.2	0	0	0	0	0	113.3	W508 L611	W508-G600 WeakPolarHBondContact O-CA 3.36Å; G600-L611 PolarHBondContact N-O 3.2Å; G600-L611 WeakPolarHBondContact O-CB 3.5Å; G600-L611 PolarHBondContact O-N 3.36Å
601	A	85.9	Confident	83.9	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	138.8	174.5	0	0	0	0	0	110.8	W508 V510 L584 F598 C609	W508-A601 HydrophobicContact CE3-CB 4.44Å; W508-A601 PolarHBondContact O-N 3.34Å; V510-A601 PolarHBondContact N-O 2.59Å; L584-A601 HydrophobicContact CD2-CB 3.99Å; F598-A601 HydrophobicContact CZ-CB 4Å; A601-C609 CarbonylContact C-O 3.59Å; A601-C609 WeakPolarHBondContact CA-O 3.4Å
602	C	84.6	Confident	84.3	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	123.6	168.5	-171.4	0	0	0	0	109	V510 I608 C609	V510-C602 VanDerWaalsContact O-CA 3.31Å; V510-C602 WeakPolarHBondContact O-CA 3.27Å; V510-C602 WeakPolarHBondContact O-CB 3.36Å; V510-C602 PolarHBondContact O-SG 2.7Å; C602-I608 WeakPolarHBondContact O-CA 3.29Å; C602-I608 WeakPolarHBondContact O-CG2 3.29Å; C602-C609 VanDerWaalsContact CB-SG 3.54Å; C602-C609 PolarHBondContact N-O 3.43Å; C602-C609 PolarHBondContact O-N 3.44Å
603	T	80.1	Confident	84.3	Confident	16 Å²	16	34.2 Å²	34.2	10%	0.098	18%	0.18	C	C	.	.			trans	-111.8	10.1	-179.7	55.5	0	0	0	0	112.6	W508 L576 P605 F684	W508-T603 HydrophobicContact CH2-CG2 4.45Å; W508-T603 HydrophobicContact CZ3-CG2 4.09Å; L576-T603 HydrophobicContact CD2-CG2 4.38Å; T603-P605 WeakPolarHBondContact O-CD 3.5Å; T603-F684 HydrophobicContact CG2-CE1 4.47Å
604	D	77.8	Confident	84.3	Confident	41 Å²	41	31 Å²	31	22%	0.219	16%	0.164	C	C	.	.			trans	-80.8	115.4	-174.9	-57.5	-35.1	0	0	0	109.8	R509 N607	R509-D604 IonicContact NE-OD1 2.75Å; R509-D604 IonicContact NH2-OD1 3.22Å; R509-D604 PolarHBondContact NH2-OD1 2.96Å; R509-D604 VanDerWaalsContact NH2-OD1 3.11Å; D604-N607 CarbonylContact O-C 3.58Å; D604-N607 PolarHBondContact O-N 3.38Å
605	P	72.8	Confident	83.9	Confident	82 Å²	82	30.7 Å²	30.7	53%	0.532	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	140.2	178.2	-16.7	30.9	0	0	0	111	T603	T603-P605 WeakPolarHBondContact O-CD 3.5Å
606	P	70.8	Confident	83	Confident	114 Å²	114	33.6 Å²	33.6	74%	0.74	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	cis	-90.1	2.7	4.6	35.9	-36.1	0	0	0	115	I608	P606-I608 PolarHBondContact O-N 3.05Å
607	N	74.8	Confident	82.5	Confident	52 Å²	52	37.3 Å²	37.3	28%	0.278	20%	0.196	S	C	.	.			trans	-101.3	64.6	-169.7	-62.8	-46.3	0	0	0	112.3	W512 D604 C609	W512-N607 HydrophobicContact CD2-CB 3.53Å; W512-N607 HydrophobicContact CE3-CB 3.59Å; W512-N607 HydrophobicContact CG-CB 3.99Å; W512-N607 HydrophobicContact CH2-CB 4.31Å; W512-N607 HydrophobicContact CZ2-CB 4.25Å; W512-N607 HydrophobicContact CZ3-CB 4Å; W512-N607 PolarHBondContact NE1-ND2 3.12Å; D604-N607 CarbonylContact O-C 3.58Å; D604-N607 PolarHBondContact O-N 3.38Å; N607-C609 PolarHBondContact O-N 3.5Å
608	I	81.6	Confident	82.2	Confident	3 Å²	3	30.8 Å²	30.8	2%	0.015	17%	0.172	C	C	.	.			trans	-77.4	119.8	175.9	-53	-174.7	0	0	0	109.5	R568 V569 R571 I574 C602 P606	R568-I608 WeakPolarHBondContact CA-O 3.3Å; V569-I608 HydrophobicContact CB-CB 4.43Å; V569-I608 HydrophobicContact CB-CG2 3.96Å; V569-I608 HydrophobicContact CG2-CG2 4.44Å; V569-I608 PolarHBondContact N-O 3.31Å; R571-I608 VanDerWaalsContact O-CD1 3.28Å; R571-I608 WeakPolarHBondContact O-CD1 3.4Å; I574-I608 HydrophobicContact CD1-CD1 4.2Å; I574-I608 HydrophobicContact CD1-CG2 3.76Å; I574-I608 HydrophobicContact CG1-CD1 4.01Å; C602-I608 WeakPolarHBondContact O-CA 3.29Å; C602-I608 WeakPolarHBondContact O-CG2 3.29Å; P606-I608 PolarHBondContact O-N 3.05Å
609	C	84.1	Confident	82.2	Confident	1 Å²	1	31 Å²	31	1%	0.007	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	156.9	179.3	71.2	0	0	0	0	113.9	V566 K567 R568 A601 C602 N607	V566-C609 HydrophobicContact CG1-CB 3.8Å; K567-C609 CarbonylContact O-C 3.56Å; K567-C609 WeakPolarHBondContact O-CA 3.27Å; K567-C609 WeakPolarHBondContact O-CB 3.29Å; R568-C609 HydrophobicContact CG-CB 4.47Å; A601-C609 CarbonylContact C-O 3.59Å; A601-C609 WeakPolarHBondContact CA-O 3.4Å; C602-C609 VanDerWaalsContact CB-SG 3.54Å; C602-C609 PolarHBondContact N-O 3.43Å; C602-C609 PolarHBondContact O-N 3.44Å; N607-C609 PolarHBondContact O-N 3.5Å
610	I	87.2	Confident	82.3	Confident	16 Å²	16	29 Å²	29	8%	0.082	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	134.9	174.1	-64.8	163.5	0	0	0	108.1	K567 V569 F598 T612 L681 F684	K567-I610 HydrophobicContact CB-CB 4.46Å; K567-I610 PolarHBondContact N-O 3.43Å; K567-I610 PolarHBondContact O-N 2.82Å; V569-I610 HydrophobicContact CG2-CD1 3.96Å; V569-I610 HydrophobicContact CG2-CG1 4.26Å; F598-I610 HydrophobicContact CD2-CG2 4.25Å; F598-I610 HydrophobicContact CE2-CG2 3.83Å; I610-T612 HydrophobicContact CG2-CG2 4.27Å; I610-L681 HydrophobicContact CD1-CD1 3.81Å; I610-L681 HydrophobicContact CG1-CD1 4.33Å; I610-L681 HydrophobicContact CG2-CD1 4.33Å; I610-F684 HydrophobicContact CD1-CB 4.1Å; I610-F684 HydrophobicContact CD1-CD1 4.4Å; I610-F684 HydrophobicContact CD1-CG 4.42Å
611	L	87.4	Confident	82.4	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121	-178.3	-61.2	161.9	0	0	0	109.5	V510 V515 V564 A565 V566 V599 G600	V510-L611 HydrophobicContact CB-CD1 3.74Å; V510-L611 HydrophobicContact CG1-CD1 3.5Å; V510-L611 HydrophobicContact CG2-CD1 3.77Å; V515-L611 HydrophobicContact CG1-CD2 4.49Å; V515-L611 HydrophobicContact CG2-CD1 4.04Å; V564-L611 HydrophobicContact CG2-CD2 3.83Å; A565-L611 WeakPolarHBondContact O-CA 3.25Å; V566-L611 HydrophobicContact CB-CD2 4.26Å; V566-L611 HydrophobicContact CG1-CD2 4.12Å; V566-L611 HydrophobicContact CG2-CD2 3.69Å; V599-L611 HydrophobicContact CB-CB 4.16Å; V599-L611 WeakPolarHBondContact CB-O 3.5Å; V599-L611 PolarHBondContact N-O 3.27Å; G600-L611 PolarHBondContact N-O 3.2Å; G600-L611 WeakPolarHBondContact O-CB 3.5Å; G600-L611 PolarHBondContact O-N 3.36Å
612	T	88.5	Confident	82.3	Confident	23 Å²	23	34.1 Å²	34.1	14%	0.141	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	164.5	175.2	55.8	0	0	0	0	110.5	V564 A565 R597 I610	V564-T612 WeakPolarHBondContact CA-O 3.39Å; V564-T612 WeakPolarHBondContact CB-O 3.46Å; A565-T612 PolarHBondContact N-O 2.83Å; A565-T612 PolarHBondContact O-N 3.3Å; A565-T612 VanDerWaalsContact O-N 3.08Å; R597-T612 WeakPolarHBondContact O-CA 3.47Å; I610-T612 HydrophobicContact CG2-CG2 4.27Å
613	E	87.2	Confident	82.3	Confident	55 Å²	55	34.6 Å²	34.6	26%	0.257	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.3	137.2	167.6	176.4	-177.6	155.6	0	0	111.6	R597 K675	R597-E613 HydrophobicContact CB-CB 4.32Å; R597-E613 PolarHBondContact O-N 3.35Å; E613-K675 IonicContact OE1-NZ 3.78Å; E613-K675 PolarHBondContact OE1-NZ 3.47Å; E613-K675 IonicContact OE2-NZ 3.23Å; E613-K675 PolarHBondContact OE2-NZ 3.36Å
614	Y	84.6	Confident	82.4	Confident	38 Å²	38	34.6 Å²	34.6	15%	0.149	19%	0.19	C	C	.	.			trans	-90.4	128.4	173.7	179.1	-104.5	0	0	0	111	A554 T556 L563 A565 P616	A554-Y614 HydrophobicContact CB-CE2 4.41Å; T556-Y614 HydrophobicContact CG2-CD2 3.56Å; T556-Y614 HydrophobicContact CG2-CE2 3.54Å; T556-Y614 HydrophobicContact CG2-CG 4.08Å; L563-Y614 HydrophobicContact CD2-CD1 3.54Å; L563-Y614 HydrophobicContact CD2-CE1 3.95Å; L563-Y614 HydrophobicContact CD2-CG 4.18Å; L563-Y614 HydrophobicContact CG-CD1 4.19Å; L563-Y614 HydrophobicContact CG-CG 4.37Å; A565-Y614 HydrophobicContact CB-CD2 4.33Å; Y614-P616 HydrophobicContact CE1-CB 4.11Å
615	C	83.3	Confident	82.6	Confident	8 Å²	8	38.7 Å²	38.7	5%	0.054	21%	0.208	C	C	.	.			trans	-103.5	113.9	177.7	-69.2	0	0	0	0	109.7	R617 G618 V667 V668	C615-R617 VanDerWaalsContact C-N 3.32Å; C615-R617 PolarHBondContact O-N 2.92Å; C615-G618 PolarHBondContact O-N 3.39Å; C615-V667 HydrophobicContact CB-CB 3.82Å; C615-V667 HydrophobicContact CB-CG2 3.92Å; C615-V667 VanDerWaalsContact SG-CG2 3.51Å; C615-V668 WeakPolarHBondContact CB-O 3.43Å
616	P	73.6	Confident	82.8	Confident	64 Å²	64	37 Å²	37	42%	0.416	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-16.3	-166.8	29	-36.4	0	0	0	114.8	Y614 G618	Y614-P616 HydrophobicContact CE1-CB 4.11Å; P616-G618 VanDerWaalsContact C-N 3.33Å
617	R	77.5	Confident	82.7	Confident	80 Å²	80	40.3 Å²	40.3	30%	0.302	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	3.7	-179	-59	-64.8	-174.9	167.3	1.6	113.5	G541 C615 V668 D669	G541-R617 PolarHBondContact O-NH1 3.39Å; C615-R617 VanDerWaalsContact C-N 3.32Å; C615-R617 PolarHBondContact O-N 2.92Å; R617-V668 HydrophobicContact CB-CB 4.01Å; R617-V668 HydrophobicContact CB-CG1 4.09Å; R617-V668 WeakPolarHBondContact CB-O 3.35Å; R617-V668 HydrophobicContact CG-CG1 4.45Å; R617-V668 PolarHBondContact N-O 3.47Å; R617-D669 WeakPolarHBondContact CG-O 3.25Å
618	G	83	Confident	82.1	Confident	4 Å²	4	41.7 Å²	41.7	4%	0.041	21%	0.214	C	C	.	.			trans	78.3	-163.4	179.5	0	0	0	0	0	113.1	C615 P616 V667 V668	C615-G618 PolarHBondContact O-N 3.39Å; P616-G618 VanDerWaalsContact C-N 3.33Å; G618-V667 WeakPolarHBondContact O-CA 3.5Å; G618-V668 PolarHBondContact O-N 2.94Å
619	S	88.6	Confident	81.3	Confident	11 Å²	11	43.5 Å²	43.5	8%	0.077	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-85	162.6	176.6	72.1	0	0	0	0	111.9	Q621 D622 I623 S664 C666	S619-Q621 PolarHBondContact O-N 3.35Å; S619-Q621 PolarHBondContact OG-N 3.47Å; S619-D622 WeakPolarHBondContact CB-OD2 3.48Å; S619-D622 PolarHBondContact N-OD2 2.65Å; S619-D622 WeakPolarHBondContact O-CB 3.21Å; S619-D622 PolarHBondContact O-N 3.47Å; S619-D622 VanDerWaalsContact O-N 3.12Å; S619-D622 PolarHBondContact OG-N 3.5Å; S619-D622 PolarHBondContact OG-OD2 3.49Å; S619-I623 WeakPolarHBondContact O-CG1 3.43Å; S619-I623 PolarHBondContact O-N 3.01Å; S619-I623 VanDerWaalsContact O-N 3.12Å; S619-S664 WeakPolarHBondContact CB-O 3.32Å; S619-C666 CarbonylContact C-O 3.57Å; S619-C666 VanDerWaalsContact CA-O 3.32Å; S619-C666 WeakPolarHBondContact CA-O 3.49Å
620	L	88.9	Confident	80.6	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.2	-35.5	173.3	176.3	64.4	0	0	0	110.2	I623 L624 L639 I643 S663 C666 L674 I728 I732	L620-I623 PolarHBondContact O-N 3.45Å; L620-L624 HydrophobicContact CD1-CD1 4.16Å; L620-L624 HydrophobicContact CD1-CG 4.09Å; L620-L624 HydrophobicContact CD2-CD1 4.43Å; L620-L624 HydrophobicContact CG-CD1 3.85Å; L620-L624 HydrophobicContact CG-CG 4.23Å; L620-L624 WeakPolarHBondContact O-CB 3.4Å; L620-L624 WeakPolarHBondContact O-CG 3.49Å; L620-L624 PolarHBondContact O-N 3.45Å; L620-L639 HydrophobicContact CD1-CD1 3.89Å; L620-I643 HydrophobicContact CD2-CD1 4.12Å; L620-S663 WeakPolarHBondContact CB-O 3.41Å; L620-S663 PolarHBondContact N-O 3.37Å; L620-C666 HydrophobicContact CB-CB 3.88Å; L620-C666 HydrophobicContact CD2-CB 4.27Å; L620-C666 PolarHBondContact N-O 3.36Å; L620-L674 HydrophobicContact CB-CD1 4.5Å; L620-L674 HydrophobicContact CD1-CD1 4.42Å; L620-L674 HydrophobicContact CD2-CD1 4.2Å; L620-I728 HydrophobicContact CD2-CG2 3.77Å; L620-I732 HydrophobicContact CD2-CD1 4.02Å; L620-I732 HydrophobicContact CD2-CG1 4.12Å
621	Q	87.5	Confident	79.8	Confident	50 Å²	50	49 Å²	49	23%	0.234	26%	0.257	C	S	.	.	H	α-helix	trans	-59.7	-47	174.8	-170.8	177	-13.8	0	0	111.3	S619 I623 L624 E625 S663	S619-Q621 PolarHBondContact O-N 3.35Å; S619-Q621 PolarHBondContact OG-N 3.47Å; Q621-I623 VanDerWaalsContact C-N 3.28Å; Q621-I623 PolarHBondContact O-N 2.87Å; Q621-L624 PolarHBondContact O-N 3.24Å; Q621-E625 HydrophobicContact CG-CG 4.47Å; Q621-E625 WeakPolarHBondContact CG-OE1 3.39Å; Q621-E625 PolarHBondContact NE2-OE1 3.01Å; Q621-E625 WeakPolarHBondContact O-CB 3.39Å; Q621-E625 WeakPolarHBondContact O-CG 3.34Å; Q621-E625 PolarHBondContact O-N 3.19Å; Q621-S663 PolarHBondContact N-O 3.21Å
622	D	85.4	Confident	79.2	Confident	59 Å²	59	53.5 Å²	53.5	32%	0.316	28%	0.281	S	S	.	.	H	α-helix	trans	-61.1	-37.2	177.7	-55.8	-55.5	0	0	0	112.1	F553 S619 N626	F553-D622 HydrophobicContact CD1-CB 4.36Å; F553-D622 HydrophobicContact CE1-CB 4.31Å; S619-D622 WeakPolarHBondContact CB-OD2 3.48Å; S619-D622 PolarHBondContact N-OD2 2.65Å; S619-D622 WeakPolarHBondContact O-CB 3.21Å; S619-D622 PolarHBondContact O-N 3.47Å; S619-D622 VanDerWaalsContact O-N 3.12Å; S619-D622 PolarHBondContact OG-N 3.5Å; S619-D622 PolarHBondContact OG-OD2 3.49Å; D622-N626 WeakPolarHBondContact O-CB 3.4Å; D622-N626 PolarHBondContact O-N 3.09Å
623	I	83.2	Confident	78.7	Confident	10 Å²	10	56.4 Å²	56.4	5%	0.051	29%	0.29	C	S	.	.	H	α-helix	trans	-70.3	-39.7	177.9	-66.9	169.3	0	0	0	111.3	S619 L620 Q621 N626 I629 L631 V668	S619-I623 WeakPolarHBondContact O-CG1 3.43Å; S619-I623 PolarHBondContact O-N 3.01Å; S619-I623 VanDerWaalsContact O-N 3.12Å; L620-I623 PolarHBondContact O-N 3.45Å; Q621-I623 VanDerWaalsContact C-N 3.28Å; Q621-I623 PolarHBondContact O-N 2.87Å; I623-N626 PolarHBondContact O-N 3.05Å; I623-I629 HydrophobicContact CG2-CD1 4.14Å; I623-I629 HydrophobicContact CG2-CG2 4.49Å; I623-L631 HydrophobicContact CG2-CD1 4.41Å; I623-L631 HydrophobicContact CG2-CD2 4.01Å; I623-V668 HydrophobicContact CD1-CB 3.77Å; I623-V668 HydrophobicContact CD1-CG1 4.26Å; I623-V668 HydrophobicContact CD1-CG2 3.46Å; I623-V668 VanDerWaalsContact CD1-CG2 3.46Å
624	L	83.5	Confident	77.9	Confident	15 Å²	15	57.9 Å²	57.9	8%	0.079	30%	0.298	C	S	.	.	H	α-helix	trans	-71.2	-40.5	-178.8	-69.9	173	0	0	0	111.8	L620 Q621 N626 L631 E731 I732 R735	L620-L624 HydrophobicContact CD1-CD1 4.16Å; L620-L624 HydrophobicContact CD1-CG 4.09Å; L620-L624 HydrophobicContact CD2-CD1 4.43Å; L620-L624 HydrophobicContact CG-CD1 3.85Å; L620-L624 HydrophobicContact CG-CG 4.23Å; L620-L624 WeakPolarHBondContact O-CB 3.4Å; L620-L624 WeakPolarHBondContact O-CG 3.49Å; L620-L624 PolarHBondContact O-N 3.45Å; Q621-L624 PolarHBondContact O-N 3.24Å; L624-N626 VanDerWaalsContact C-N 3.26Å; L624-N626 PolarHBondContact O-N 3.15Å; L624-L631 HydrophobicContact CD2-CD1 3.63Å; L624-E731 HydrophobicContact CD1-CB 3.8Å; L624-I732 HydrophobicContact CD1-CG1 4.33Å; L624-R735 HydrophobicContact CD2-CG 4.25Å; L624-R735 PolarHBondContact O-NH2 3.15Å
625	E	81.7	Confident	77.4	Confident	127 Å²	127	58.5 Å²	58.5	59%	0.593	30%	0.301	S	S	*	.	H	α-helix	trans	-68.9	-22.3	176.9	-71	176.6	-172.3	0	0	112.8	Q621 E627	Q621-E625 HydrophobicContact CG-CG 4.47Å; Q621-E625 WeakPolarHBondContact CG-OE1 3.39Å; Q621-E625 PolarHBondContact NE2-OE1 3.01Å; Q621-E625 WeakPolarHBondContact O-CB 3.39Å; Q621-E625 WeakPolarHBondContact O-CG 3.34Å; Q621-E625 PolarHBondContact O-N 3.19Å; E625-E627 PolarHBondContact O-N 2.78Å
626	N	76.7	Confident	77.4	Confident	46 Å²	46	59.9 Å²	59.9	25%	0.246	31%	0.305	C	S	.	.			trans	-81.1	102.7	178.1	-169.1	-12.9	0	0	0	112.5	L543 D622 I623 L624 S628 I629 R735	L543-N626 WeakPolarHBondContact CD1-ND2 3.22Å; D622-N626 WeakPolarHBondContact O-CB 3.4Å; D622-N626 PolarHBondContact O-N 3.09Å; I623-N626 PolarHBondContact O-N 3.05Å; L624-N626 VanDerWaalsContact C-N 3.26Å; L624-N626 PolarHBondContact O-N 3.15Å; N626-S628 PolarHBondContact O-N 2.71Å; N626-S628 WeakPolarHBondContact OD1-CB 3.5Å; N626-S628 PolarHBondContact OD1-N 3.27Å; N626-S628 PolarHBondContact OD1-OG 3.4Å; N626-I629 HydrophobicContact CB-CD1 4.03Å; N626-I629 HydrophobicContact CB-CG1 4.23Å; N626-I629 PolarHBondContact O-N 2.97Å; N626-R735 PolarHBondContact O-NH2 3.35Å
627	E	68.3	Low	77.8	Confident	184 Å²	184	60.1 Å²	60.1	86%	0.86	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.1	178	-64.5	-172.2	171.8	0	0	114	E625 I629	E625-E627 PolarHBondContact O-N 2.78Å; E627-I629 PolarHBondContact O-N 3.14Å
628	S	61.6	Low	78.1	Confident	81 Å²	81	59 Å²	59	57%	0.566	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-16.3	179.9	82.8	0	0	0	0	113.3	N626	N626-S628 PolarHBondContact O-N 2.71Å; N626-S628 WeakPolarHBondContact OD1-CB 3.5Å; N626-S628 PolarHBondContact OD1-N 3.27Å; N626-S628 PolarHBondContact OD1-OG 3.4Å
629	I	66.3	Low	78.3	Confident	42 Å²	42	58.9 Å²	58.9	22%	0.215	30%	0.301	C	S	.	.	S	Bend	trans	-90.9	114.3	-179.9	-57.2	177.1	0	0	0	108.6	L543 I623 N626 E627 L631 R735	L543-I629 HydrophobicContact CD1-CD1 4.14Å; L543-I629 HydrophobicContact CD1-CG1 4.33Å; I623-I629 HydrophobicContact CG2-CD1 4.14Å; I623-I629 HydrophobicContact CG2-CG2 4.49Å; N626-I629 HydrophobicContact CB-CD1 4.03Å; N626-I629 HydrophobicContact CB-CG1 4.23Å; N626-I629 PolarHBondContact O-N 2.97Å; E627-I629 PolarHBondContact O-N 3.14Å; I629-L631 HydrophobicContact CG2-CD2 3.73Å; I629-L631 HydrophobicContact CG2-CG 4.22Å; I629-L631 PolarHBondContact O-N 3.45Å; I629-R735 PolarHBondContact O-NH1 2.8Å; I629-R735 PolarHBondContact O-NH2 2.77Å; I629-R735 VanDerWaalsContact O-NH2 3.11Å
630	T	67.8	Low	78.3	Confident	124 Å²	124	58.5 Å²	58.5	76%	0.761	30%	0.298	S	S	*	.			trans	-81.1	100.9	174.9	54.4	0	0	0	0	110.4	D632	T630-D632 PolarHBondContact O-N 3.33Å
631	L	70.7	Confident	78.3	Confident	8 Å²	8	60.8 Å²	60.8	4%	0.042	31%	0.31	C	S	.	.			trans	-87.8	98.8	176.6	-57.7	173.5	0	0	0	109.5	I623 L624 I629 F635 R636	I623-L631 HydrophobicContact CG2-CD1 4.41Å; I623-L631 HydrophobicContact CG2-CD2 4.01Å; L624-L631 HydrophobicContact CD2-CD1 3.63Å; I629-L631 HydrophobicContact CG2-CD2 3.73Å; I629-L631 HydrophobicContact CG2-CG 4.22Å; I629-L631 PolarHBondContact O-N 3.45Å; L631-F635 HydrophobicContact CD2-CD1 3.3Å; L631-F635 HydrophobicContact CD2-CE1 3.33Å; L631-R636 HydrophobicContact CB-CG 4.09Å; L631-R636 VanDerWaalsContact O-CZ 3.3Å; L631-R636 PolarHBondContact O-NE 3.28Å; L631-R636 PolarHBondContact O-NH2 3.09Å
632	D	75.5	Confident	78.4	Confident	94 Å²	94	58.9 Å²	58.9	50%	0.503	30%	0.302	S	S	.	.			trans	-71.8	165.8	170	75.8	-3.4	0	0	0	111.3	T630 M634 F635 R636	T630-D632 PolarHBondContact O-N 3.33Å; D632-M634 VanDerWaalsContact C-N 3.27Å; D632-M634 PolarHBondContact O-N 2.8Å; D632-M634 PolarHBondContact OD1-N 2.95Å; D632-F635 PolarHBondContact O-N 3.29Å; D632-F635 WeakPolarHBondContact OD1-CB 3.35Å; D632-F635 PolarHBondContact OD1-N 3.49Å; D632-R636 VanDerWaalsContact O-CG 3.3Å; D632-R636 WeakPolarHBondContact O-CG 3.37Å; D632-R636 PolarHBondContact O-N 3.41Å
633	W	77.1	Confident	78.7	Confident	85 Å²	85	56 Å²	56	32%	0.322	29%	0.287	S	S	.	.	H	α-helix	trans	-64.8	-32.2	-176.8	-87.6	107.2	0	0	0	112.8	R636 Y637 A733 L773 L776	W633-R636 HydrophobicContact CE3-CB 4.2Å; W633-R636 HydrophobicContact CZ3-CB 4.46Å; W633-R636 PolarHBondContact O-N 3.31Å; W633-Y637 HydrophobicContact CB-CD2 4.47Å; W633-Y637 HydrophobicContact CB-CE2 4.42Å; W633-Y637 HydrophobicContact CE3-CD2 4.35Å; W633-Y637 AromaticContact CE3-CE2 3.92Å; W633-Y637 HydrophobicContact CE3-CE2 3.92Å; W633-Y637 WeakPolarHBondContact O-CB 3.42Å; W633-Y637 WeakPolarHBondContact O-CD2 3.37Å; W633-Y637 PolarHBondContact O-N 2.64Å; W633-A733 HydrophobicContact CH2-CB 4.07Å; W633-L773 HydrophobicContact CD2-CD2 4.45Å; W633-L773 HydrophobicContact CE3-CD2 4.22Å; W633-L773 HydrophobicContact CH2-CD1 3.95Å; W633-L773 HydrophobicContact CH2-CD2 3.11Å; W633-L773 HydrophobicContact CH2-CG 4.13Å; W633-L773 HydrophobicContact CZ2-CD1 3.41Å; W633-L773 VanDerWaalsContact CZ2-CD1 3.41Å; W633-L773 HydrophobicContact CZ2-CD2 3.37Å; W633-L773 HydrophobicContact CZ2-CG 3.92Å; W633-L773 HydrophobicContact CZ3-CD2 3.57Å; W633-L776 HydrophobicContact CH2-CD2 4.15Å; W633-L776 HydrophobicContact CZ3-CD2 3.81Å
634	M	72.3	Confident	79.2	Confident	86 Å²	86	55.6 Å²	55.6	42%	0.424	28%	0.284	S	S	.	.	H	α-helix	trans	-63.3	-45.4	177.4	-173.1	175.8	-80.9	0	0	111.1	D632 Y637 S638 I812 L813 L816	D632-M634 VanDerWaalsContact C-N 3.27Å; D632-M634 PolarHBondContact O-N 2.8Å; D632-M634 PolarHBondContact OD1-N 2.95Å; M634-Y637 PolarHBondContact O-N 2.92Å; M634-S638 PolarHBondContact O-N 2.93Å; M634-I812 HydrophobicContact CE-CG2 4.49Å; M634-L813 HydrophobicContact CG-CD1 4.45Å; M634-L813 HydrophobicContact SD-CD1 4.41Å; M634-L816 HydrophobicContact CE-CD1 3.51Å; M634-L816 HydrophobicContact SD-CD1 3.78Å
635	F	74	Confident	79.6	Confident	50 Å²	50	58.8 Å²	58.8	22%	0.219	30%	0.298	C	S	.	.	H	α-helix	trans	-66.9	-40.4	176.8	-168.7	-100.5	0	0	0	112	L631 D632 Y637 S638 L639 F672	L631-F635 HydrophobicContact CD2-CD1 3.3Å; L631-F635 HydrophobicContact CD2-CE1 3.33Å; D632-F635 PolarHBondContact O-N 3.29Å; D632-F635 WeakPolarHBondContact OD1-CB 3.35Å; D632-F635 PolarHBondContact OD1-N 3.49Å; F635-Y637 VanDerWaalsContact C-N 3.35Å; F635-Y637 PolarHBondContact O-N 3.46Å; F635-S638 WeakPolarHBondContact O-CB 3.5Å; F635-S638 PolarHBondContact O-N 2.83Å; F635-L639 HydrophobicContact CD1-CD1 3.9Å; F635-L639 HydrophobicContact CD1-CG 4.34Å; F635-L639 HydrophobicContact CE1-CD1 3.66Å; F635-L639 HydrophobicContact CE1-CD2 4.41Å; F635-L639 HydrophobicContact CE1-CG 4.14Å; F635-L639 HydrophobicContact CZ-CD1 4.47Å; F635-L639 HydrophobicContact CZ-CD2 4.44Å; F635-L639 WeakPolarHBondContact O-CG 3.43Å; F635-L639 PolarHBondContact O-N 3.45Å; F635-F672 HydrophobicContact CE2-CB 4.01Å; F635-F672 AromaticContact CE2-CD1 3.89Å; F635-F672 HydrophobicContact CE2-CD1 3.89Å; F635-F672 HydrophobicContact CE2-CG 4.08Å; F635-F672 HydrophobicContact CZ-CB 4.33Å; F635-F672 AromaticContact CZ-CD1 3.56Å; F635-F672 HydrophobicContact CZ-CD1 3.56Å; F635-F672 HydrophobicContact CZ-CE1 4.12Å; F635-F672 HydrophobicContact CZ-CG 4.21Å
636	R	81.9	Confident	80	Confident	38 Å²	38	52.7 Å²	52.7	14%	0.143	27%	0.269	C	S	.	.	H	α-helix	trans	-60	-42	173.2	-68.6	175.5	-160.8	-160.2	2.9	112.5	L631 D632 W633 T640 I732 A733	L631-R636 HydrophobicContact CB-CG 4.09Å; L631-R636 VanDerWaalsContact O-CZ 3.3Å; L631-R636 PolarHBondContact O-NE 3.28Å; L631-R636 PolarHBondContact O-NH2 3.09Å; D632-R636 VanDerWaalsContact O-CG 3.3Å; D632-R636 WeakPolarHBondContact O-CG 3.37Å; D632-R636 PolarHBondContact O-N 3.41Å; W633-R636 HydrophobicContact CE3-CB 4.2Å; W633-R636 HydrophobicContact CZ3-CB 4.46Å; W633-R636 PolarHBondContact O-N 3.31Å; R636-T640 WeakPolarHBondContact O-CB 3.43Å; R636-T640 PolarHBondContact O-N 3.32Å; R636-T640 PolarHBondContact O-OG1 3.05Å; R636-I732 HydrophobicContact CB-CG2 3.66Å; R636-I732 HydrophobicContact CG-CG2 3.81Å; R636-A733 PolarHBondContact NH1-O 2.75Å
637	Y	82.3	Confident	80.8	Confident	69 Å²	69	50.5 Å²	50.5	27%	0.271	26%	0.258	S	S	.	.	H	α-helix	trans	-65.6	-39.2	175.2	-83.1	-61.7	0	0	0	112	W633 M634 F635 T640 N641	W633-Y637 HydrophobicContact CB-CD2 4.47Å; W633-Y637 HydrophobicContact CB-CE2 4.42Å; W633-Y637 HydrophobicContact CE3-CD2 4.35Å; W633-Y637 AromaticContact CE3-CE2 3.92Å; W633-Y637 HydrophobicContact CE3-CE2 3.92Å; W633-Y637 WeakPolarHBondContact O-CB 3.42Å; W633-Y637 WeakPolarHBondContact O-CD2 3.37Å; W633-Y637 PolarHBondContact O-N 2.64Å; M634-Y637 PolarHBondContact O-N 2.92Å; F635-Y637 VanDerWaalsContact C-N 3.35Å; F635-Y637 PolarHBondContact O-N 3.46Å; Y637-T640 PolarHBondContact O-N 3.33Å; Y637-N641 VanDerWaalsContact O-CB 3.29Å; Y637-N641 WeakPolarHBondContact O-CB 3.39Å; Y637-N641 PolarHBondContact O-N 3.25Å
638	S	83.6	Confident	82	Confident	56 Å²	56	42.6 Å²	42.6	39%	0.392	22%	0.221	S	C	.	.	H	α-helix	trans	-58.5	-52.1	175.3	-166.1	0	0	0	0	111.4	M634 F635 T640 N641 D642	M634-S638 PolarHBondContact O-N 2.93Å; F635-S638 WeakPolarHBondContact O-CB 3.5Å; F635-S638 PolarHBondContact O-N 2.83Å; S638-T640 VanDerWaalsContact C-N 3.32Å; S638-T640 PolarHBondContact O-N 3.03Å; S638-N641 PolarHBondContact O-N 3.28Å; S638-D642 PolarHBondContact O-N 2.69Å
639	L	86.9	Confident	83.4	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-58.8	-43.1	177.1	-64.7	173.8	0	0	0	111.9	L620 F635 N641 D642 I643 V668 L674	L620-L639 HydrophobicContact CD1-CD1 3.89Å; F635-L639 HydrophobicContact CD1-CD1 3.9Å; F635-L639 HydrophobicContact CD1-CG 4.34Å; F635-L639 HydrophobicContact CE1-CD1 3.66Å; F635-L639 HydrophobicContact CE1-CD2 4.41Å; F635-L639 HydrophobicContact CE1-CG 4.14Å; F635-L639 HydrophobicContact CZ-CD1 4.47Å; F635-L639 HydrophobicContact CZ-CD2 4.44Å; F635-L639 WeakPolarHBondContact O-CG 3.43Å; F635-L639 PolarHBondContact O-N 3.45Å; L639-N641 PolarHBondContact O-N 3.25Å; L639-D642 PolarHBondContact O-N 3.01Å; L639-I643 WeakPolarHBondContact O-CG1 3.29Å; L639-I643 PolarHBondContact O-N 2.78Å; L639-I643 VanDerWaalsContact O-N 3.14Å; L639-V668 HydrophobicContact CD2-CG2 4.43Å; L639-L674 HydrophobicContact CB-CD1 4.22Å; L639-L674 HydrophobicContact CD2-CB 4.07Å; L639-L674 HydrophobicContact CD2-CD1 4.04Å
640	T	88.6	Confident	84.6	Confident	4 Å²	4	40.4 Å²	40.4	3%	0.025	20%	0.2	C	C	.	.	H	α-helix	trans	-62.1	-43.8	178.1	-57.3	0	0	0	0	111.6	R636 Y637 S638 I643 V644 F725 L729 L801	R636-T640 WeakPolarHBondContact O-CB 3.43Å; R636-T640 PolarHBondContact O-N 3.32Å; R636-T640 PolarHBondContact O-OG1 3.05Å; Y637-T640 PolarHBondContact O-N 3.33Å; S638-T640 VanDerWaalsContact C-N 3.32Å; S638-T640 PolarHBondContact O-N 3.03Å; T640-I643 PolarHBondContact O-N 3.24Å; T640-V644 WeakPolarHBondContact O-CG2 3.33Å; T640-V644 PolarHBondContact O-N 3.2Å; T640-V644 VanDerWaalsContact O-N 3.14Å; T640-F725 HydrophobicContact CG2-CE2 4.23Å; T640-F725 HydrophobicContact CG2-CZ 3.84Å; T640-L729 HydrophobicContact CG2-CD1 3.71Å; T640-L801 HydrophobicContact CG2-CD1 3.99Å; T640-L801 HydrophobicContact CG2-CD2 4.44Å
641	N	88.4	Confident	85.7	Confident	47 Å²	47	35.4 Å²	35.4	25%	0.251	17%	0.168	S	C	.	.	H	α-helix	trans	-67.3	-37.5	-179.8	-172	42.6	0	0	0	111.9	Y637 S638 L639 V644 K645	Y637-N641 VanDerWaalsContact O-CB 3.29Å; Y637-N641 WeakPolarHBondContact O-CB 3.39Å; Y637-N641 PolarHBondContact O-N 3.25Å; S638-N641 PolarHBondContact O-N 3.28Å; L639-N641 PolarHBondContact O-N 3.25Å; N641-V644 PolarHBondContact O-N 2.95Å; N641-K645 VanDerWaalsContact ND2-CE 3.33Å; N641-K645 WeakPolarHBondContact ND2-CE 3.46Å; N641-K645 WeakPolarHBondContact O-CG 3.36Å; N641-K645 PolarHBondContact O-N 3.17Å
642	D	89.8	Confident	86.5	Confident	10 Å²	10	40.7 Å²	40.7	5%	0.053	20%	0.196	C	C	.	.	H	α-helix	trans	-65.5	-41	176.8	-73.7	-8.1	0	0	0	112.1	H594 S638 L639 V644 K645 G646 L674	H594-D642 VanDerWaalsContact CE1-CG 3.45Å; H594-D642 IonicContact CE1-OD1 2.79Å; H594-D642 PolarHBondContact CE1-OD1 3.49Å; H594-D642 IonicContact ND1-OD1 2.84Å; H594-D642 IonicContact NE2-OD1 2.77Å; S638-D642 PolarHBondContact O-N 2.69Å; L639-D642 PolarHBondContact O-N 3.01Å; D642-V644 VanDerWaalsContact C-N 3.32Å; D642-V644 PolarHBondContact O-N 3.38Å; D642-K645 PolarHBondContact O-N 3.1Å; D642-K645 IonicContact OD1-NZ 2.95Å; D642-K645 PolarHBondContact OD1-NZ 2.7Å; D642-G646 PolarHBondContact O-N 3.4Å; D642-L674 HydrophobicContact CB-CB 3.87Å; D642-L674 PolarHBondContact OD2-N 2.78Å
643	I	93.4	Very high	86.9	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.8	-46.1	171.7	-62.1	163.7	0	0	0	110.4	L620 L639 T640 K645 G646 M647 L674 I676 F725 I728 I732	L620-I643 HydrophobicContact CD2-CD1 4.12Å; L639-I643 WeakPolarHBondContact O-CG1 3.29Å; L639-I643 PolarHBondContact O-N 2.78Å; L639-I643 VanDerWaalsContact O-N 3.14Å; T640-I643 PolarHBondContact O-N 3.24Å; I643-K645 PolarHBondContact O-N 3.19Å; I643-G646 PolarHBondContact O-N 2.97Å; I643-M647 HydrophobicContact CG2-CG 4.22Å; I643-M647 WeakPolarHBondContact O-CB 3.35Å; I643-M647 WeakPolarHBondContact O-CG 3.46Å; I643-M647 PolarHBondContact O-N 3.04Å; I643-L674 HydrophobicContact CB-CD2 4.44Å; I643-L674 HydrophobicContact CD1-CD1 3.91Å; I643-L674 HydrophobicContact CD1-CD2 4.49Å; I643-L674 HydrophobicContact CG1-CD1 3.67Å; I643-L674 HydrophobicContact CG1-CD2 3.44Å; I643-L674 VanDerWaalsContact CG1-CD2 3.44Å; I643-L674 HydrophobicContact CG1-CG 4.21Å; I643-I676 HydrophobicContact CG2-CD1 4.48Å; I643-F725 HydrophobicContact CB-CD2 4.49Å; I643-F725 HydrophobicContact CB-CE2 4.22Å; I643-F725 HydrophobicContact CG2-CD2 3.69Å; I643-F725 HydrophobicContact CG2-CE2 3.9Å; I643-I728 HydrophobicContact CD1-CG2 3.95Å; I643-I732 HydrophobicContact CD1-CD1 4.11Å
644	V	93	Very high	86.9	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.4	-41.2	-179.4	170.6	0	0	0	0	111.7	T640 N641 D642 L648 F725 F794 I797 R798 L801	T640-V644 WeakPolarHBondContact O-CG2 3.33Å; T640-V644 PolarHBondContact O-N 3.2Å; T640-V644 VanDerWaalsContact O-N 3.14Å; N641-V644 PolarHBondContact O-N 2.95Å; D642-V644 VanDerWaalsContact C-N 3.32Å; D642-V644 PolarHBondContact O-N 3.38Å; V644-L648 WeakPolarHBondContact O-CB 3.45Å; V644-L648 PolarHBondContact O-N 3.39Å; V644-F725 HydrophobicContact CG2-CE1 4.33Å; V644-F725 HydrophobicContact CG2-CE2 3.76Å; V644-F725 HydrophobicContact CG2-CZ 3.53Å; V644-F794 HydrophobicContact CG1-CD1 4.34Å; V644-F794 HydrophobicContact CG2-CD1 4.23Å; V644-F794 HydrophobicContact CG2-CE1 4.49Å; V644-I797 HydrophobicContact CG2-CG2 3.96Å; V644-R798 HydrophobicContact CG1-CB 3.77Å; V644-R798 HydrophobicContact CG1-CG 4.33Å; V644-L801 HydrophobicContact CG2-CD1 3.8Å
645	K	91.4	Very high	87.3	Confident	82 Å²	82	34.6 Å²	34.6	36%	0.357	19%	0.188	S	C	.	.	H	α-helix	trans	-64.3	-45.7	176	-70.3	171	-172	165	0	111.7	H594 N641 D642 I643 L648 F649	H594-K645 WeakPolarHBondContact NE2-CD 3.49Å; N641-K645 VanDerWaalsContact ND2-CE 3.33Å; N641-K645 WeakPolarHBondContact ND2-CE 3.46Å; N641-K645 WeakPolarHBondContact O-CG 3.36Å; N641-K645 PolarHBondContact O-N 3.17Å; D642-K645 PolarHBondContact O-N 3.1Å; D642-K645 IonicContact OD1-NZ 2.95Å; D642-K645 PolarHBondContact OD1-NZ 2.7Å; I643-K645 PolarHBondContact O-N 3.19Å; K645-L648 PolarHBondContact O-N 3.48Å; K645-F649 PolarHBondContact O-N 3.35Å; K645-F649 VanDerWaalsContact O-N 3.1Å
646	G	91.6	Very high	87.8	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.1	-46.1	177.7	0	0	0	0	0	112.5	D642 I643 F649 L650	D642-G646 PolarHBondContact O-N 3.4Å; I643-G646 PolarHBondContact O-N 2.97Å; G646-F649 PolarHBondContact O-N 2.87Å; G646-L650 PolarHBondContact O-N 3.03Å
647	M	93.4	Very high	88.1	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-68.7	-37.4	178.4	-72.8	-54.4	-56.8	0	0	113.2	I643 F649 L650 H651 H658 L661 I676 D721 F794	I643-M647 HydrophobicContact CG2-CG 4.22Å; I643-M647 WeakPolarHBondContact O-CB 3.35Å; I643-M647 WeakPolarHBondContact O-CG 3.46Å; I643-M647 PolarHBondContact O-N 3.04Å; M647-F649 VanDerWaalsContact C-N 3.29Å; M647-F649 PolarHBondContact O-N 3.14Å; M647-L650 PolarHBondContact O-N 3.24Å; M647-L650 HydrophobicContact SD-CD1 4Å; M647-H651 WeakPolarHBondContact CE-NE2 3.48Å; M647-H651 WeakPolarHBondContact O-CB 3.43Å; M647-H651 PolarHBondContact O-N 3.12Å; M647-H658 HydrophobicContact CE-CB 3.89Å; M647-H658 HydrophobicContact SD-CB 4.2Å; M647-L661 HydrophobicContact CE-CD2 4.32Å; M647-L661 HydrophobicContact CG-CD2 4.06Å; M647-L661 HydrophobicContact SD-CD1 3.94Å; M647-L661 HydrophobicContact SD-CD2 3.92Å; M647-L661 HydrophobicContact SD-CG 4.47Å; M647-I676 HydrophobicContact CB-CD1 4.44Å; M647-I676 HydrophobicContact CG-CD1 3.55Å; M647-I676 HydrophobicContact SD-CD1 3.58Å; M647-I676 VanDerWaalsContact SD-CD1 3.58Å; M647-D721 HydrophobicContact CE-CB 3.7Å; M647-D721 WeakPolarHBondContact CE-OD2 3.4Å; M647-F794 HydrophobicContact CB-CD1 3.97Å; M647-F794 HydrophobicContact CB-CD2 3.88Å; M647-F794 HydrophobicContact CB-CE1 3.76Å; M647-F794 HydrophobicContact CB-CE2 3.67Å; M647-F794 HydrophobicContact CB-CG 4.03Å; M647-F794 HydrophobicContact CB-CZ 3.61Å; M647-F794 HydrophobicContact CE-CE2 3.95Å; M647-F794 HydrophobicContact CE-CZ 4.3Å; M647-F794 HydrophobicContact CG-CE1 4.1Å; M647-F794 HydrophobicContact CG-CE2 4.13Å; M647-F794 HydrophobicContact CG-CZ 3.75Å
648	L	92.6	Very high	88.4	Confident	18 Å²	18	30.3 Å²	30.3	9%	0.094	18%	0.18	C	C	.	.	H	α-helix	trans	-61.3	-39.8	174.4	-177.1	65.7	0	0	0	111.4	V644 K645 N652 F794 Q795	V644-L648 WeakPolarHBondContact O-CB 3.45Å; V644-L648 PolarHBondContact O-N 3.39Å; K645-L648 PolarHBondContact O-N 3.48Å; L648-N652 WeakPolarHBondContact O-CB 3.38Å; L648-N652 PolarHBondContact O-N 3.33Å; L648-N652 VanDerWaalsContact O-N 3.13Å; L648-N652 PolarHBondContact O-ND2 3.33Å; L648-F794 HydrophobicContact CB-CB 4.42Å; L648-F794 HydrophobicContact CD1-CB 4.32Å; L648-Q795 HydrophobicContact CD1-CB 4.08Å
649	F	91.7	Very high	88.4	Confident	75 Å²	75	29 Å²	29	33%	0.329	18%	0.175	S	C	.	.	H	α-helix	trans	-65	-43.6	174.6	-179.9	-87.6	0	0	0	111.7	V590 N592 L595 K645 G646 M647 G653	V590-F649 HydrophobicContact CG1-CE1 3.85Å; N592-F649 HydrophobicContact CB-CD1 4.03Å; N592-F649 HydrophobicContact CB-CD2 4.37Å; N592-F649 HydrophobicContact CB-CE1 4.04Å; N592-F649 HydrophobicContact CB-CE2 4.37Å; N592-F649 HydrophobicContact CB-CG 4.19Å; N592-F649 HydrophobicContact CB-CZ 4.2Å; N592-F649 VanDerWaalsContact ND2-CD2 3.34Å; N592-F649 WeakPolarHBondContact ND2-CD2 3.42Å; L595-F649 HydrophobicContact CD1-CD1 3.52Å; L595-F649 HydrophobicContact CD1-CE1 3.79Å; L595-F649 HydrophobicContact CG-CD1 4.49Å; K645-F649 PolarHBondContact O-N 3.35Å; K645-F649 VanDerWaalsContact O-N 3.1Å; G646-F649 PolarHBondContact O-N 2.87Å; M647-F649 VanDerWaalsContact C-N 3.29Å; M647-F649 PolarHBondContact O-N 3.14Å; F649-G653 PolarHBondContact O-N 2.97Å
650	L	89.9	Confident	88.4	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-64.2	-43	177.5	-73.3	175.2	0	0	0	112.8	L595 G646 M647 G653 I655 C656 H658 Y679	L595-L650 HydrophobicContact CD1-CD2 3.64Å; L595-L650 HydrophobicContact CD1-CG 4Å; L595-L650 HydrophobicContact CD2-CD1 3.78Å; L595-L650 HydrophobicContact CD2-CD2 4.15Å; L595-L650 HydrophobicContact CD2-CG 3.84Å; G646-L650 PolarHBondContact O-N 3.03Å; M647-L650 PolarHBondContact O-N 3.24Å; M647-L650 HydrophobicContact SD-CD1 4Å; L650-G653 PolarHBondContact O-N 2.86Å; L650-I655 HydrophobicContact CD2-CB 4.39Å; L650-I655 HydrophobicContact CD2-CD1 4.13Å; L650-I655 HydrophobicContact CD2-CG2 4.49Å; L650-C656 WeakPolarHBondContact O-CA 3.27Å; L650-C656 PolarHBondContact O-N 3.42Å; L650-C656 VanDerWaalsContact O-N 3.17Å; L650-H658 HydrophobicContact CD1-CB 4.49Å; L650-Y679 HydrophobicContact CD1-CG 4.4Å; L650-Y679 HydrophobicContact CD2-CD2 3.88Å; L650-Y679 HydrophobicContact CD2-CE2 4.4Å; L650-Y679 HydrophobicContact CD2-CG 4.05Å
651	H	91.3	Very high	88.5	Confident	18 Å²	18	31.5 Å²	31.5	8%	0.083	19%	0.188	C	C	.	.	H	α-helix	trans	-68.1	-35.2	-178.8	-79.4	-156.5	0	0	0	112.7	M647 Q718 D721 F794	M647-H651 WeakPolarHBondContact CE-NE2 3.48Å; M647-H651 WeakPolarHBondContact O-CB 3.43Å; M647-H651 PolarHBondContact O-N 3.12Å; H651-Q718 PolarHBondContact O-NE2 2.78Å; H651-D721 IonicContact CD2-OD2 3.78Å; H651-D721 IonicContact CE1-OD2 3.82Å; H651-D721 IonicContact NE2-OD2 2.96Å; H651-D721 PolarHBondContact NE2-OD2 3.01Å; H651-F794 AromaticContact CE1-CD2 3.49Å; H651-F794 VanDerWaalsContact CE1-CD2 3.49Å; H651-F794 WeakPolarHBondContact CE1-CD2 3.46Å; H651-F794 AromaticContact CE1-CE2 3.5Å; H651-F794 AromaticContact ND1-CD2 3.5Å; H651-F794 AromaticContact NE2-CE2 3.99Å
652	N	88.1	Confident	88.6	Confident	120 Å²	120	30 Å²	30	64%	0.642	18%	0.18	S	C	*	.	H	α-helix	trans	-84.9	-12.2	176.4	-67.2	-15.6	0	0	0	113.4	L648	L648-N652 WeakPolarHBondContact O-CB 3.38Å; L648-N652 PolarHBondContact O-N 3.33Å; L648-N652 VanDerWaalsContact O-N 3.13Å; L648-N652 PolarHBondContact O-ND2 3.33Å
653	G	83.9	Confident	88.5	Confident	27 Å²	27	29.6 Å²	29.6	28%	0.278	18%	0.177	S	C	.	.	S	Bend	trans	-90.4	-177.7	-178.7	0	0	0	0	0	114.1	F649 L650 I655 C656	F649-G653 PolarHBondContact O-N 2.97Å; L650-G653 PolarHBondContact O-N 2.86Å; G653-I655 PolarHBondContact O-N 3.15Å; G653-C656 PolarHBondContact O-N 3.3Å; G653-C656 PolarHBondContact O-SG 3.14Å; G653-C656 VanDerWaalsContact O-SG 3.42Å
654	A	77.3	Confident	88.3	Confident	76 Å²	76	31.7 Å²	31.7	63%	0.628	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-14.5	-178.8	0	0	0	0	0	114.6
655	I	80.3	Confident	88.2	Confident	33 Å²	33	32.2 Å²	32.2	17%	0.169	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-26.8	179.3	-58.3	-176.1	0	0	0	110.8	M587 V590 L650 G653 S657 Y679	M587-I655 HydrophobicContact SD-CD1 3.76Å; V590-I655 HydrophobicContact CG2-CD1 4.26Å; L650-I655 HydrophobicContact CD2-CB 4.39Å; L650-I655 HydrophobicContact CD2-CD1 4.13Å; L650-I655 HydrophobicContact CD2-CG2 4.49Å; G653-I655 PolarHBondContact O-N 3.15Å; I655-S657 PolarHBondContact O-N 3Å; I655-Y679 HydrophobicContact CD1-CD2 3.53Å; I655-Y679 HydrophobicContact CD1-CE2 3.81Å
656	C	84.8	Confident	88.3	Confident	59 Å²	59	28.3 Å²	28.3	40%	0.399	18%	0.178	S	C	.	.			trans	62	-32.2	174.2	-54.1	0	0	0	0	117.1	L650 G653 Q718	L650-C656 WeakPolarHBondContact O-CA 3.27Å; L650-C656 PolarHBondContact O-N 3.42Å; L650-C656 VanDerWaalsContact O-N 3.17Å; G653-C656 PolarHBondContact O-N 3.3Å; G653-C656 PolarHBondContact O-SG 3.14Å; G653-C656 VanDerWaalsContact O-SG 3.42Å; C656-Q718 VanDerWaalsContact O-CG 3.24Å; C656-Q718 WeakPolarHBondContact O-CG 3.5Å; C656-Q718 PolarHBondContact O-NE2 3.01Å
657	S	88.4	Confident	88.3	Confident	9 Å²	9	29.4 Å²	29.4	6%	0.063	19%	0.185	C	C	.	.			trans	-156.1	151.6	177.2	54.8	0	0	0	0	111.6	I655 R715 D721	I655-S657 PolarHBondContact O-N 3Å; S657-R715 WeakPolarHBondContact CB-O 3.45Å; S657-R715 PolarHBondContact OG-O 3.28Å; S657-D721 WeakPolarHBondContact CA-OD2 3.48Å
658	H	88.3	Confident	87.9	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	19%	0.185	C	C	.	.			trans	-82.9	-47.8	177.2	-171.5	-59.6	0	0	0	111.4	M647 L650 N660 L661 I676 T677 R685 D721	M647-H658 HydrophobicContact CE-CB 3.89Å; M647-H658 HydrophobicContact SD-CB 4.2Å; L650-H658 HydrophobicContact CD1-CB 4.49Å; H658-N660 VanDerWaalsContact C-N 3.27Å; H658-N660 PolarHBondContact CE1-O 3.36Å; H658-N660 PolarHBondContact ND1-N 2.88Å; H658-N660 PolarHBondContact O-N 3.19Å; H658-L661 PolarHBondContact ND1-N 3.34Å; H658-I676 VanDerWaalsContact CD2-CG2 3.43Å; H658-I676 WeakPolarHBondContact CD2-CG2 3.45Å; H658-I676 WeakPolarHBondContact NE2-CG2 3.13Å; H658-T677 PolarHBondContact NE2-O 3.09Å; H658-R685 PolarHBondContact O-NH1 3.33Å; H658-R685 PolarHBondContact O-NH2 3.08Å; H658-D721 PolarHBondContact N-OD2 2.73Å
659	G	83.7	Confident	87.3	Confident	28 Å²	28	29.1 Å²	29.1	29%	0.289	18%	0.183	S	C	.	.	S	Bend	trans	74.2	3.9	175.4	0	0	0	0	0	116.3	R715 D721	G659-R715 WeakPolarHBondContact CA-O 3.4Å; G659-D721 PolarHBondContact N-OD1 3.44Å
660	N	86.4	Confident	86.3	Confident	57 Å²	57	27.7 Å²	27.7	31%	0.305	19%	0.19	S	C	.	.			trans	-161.2	44	178.5	-170	41.2	0	0	0	110.7	H658 K662 N665	H658-N660 VanDerWaalsContact C-N 3.27Å; H658-N660 PolarHBondContact CE1-O 3.36Å; H658-N660 PolarHBondContact ND1-N 2.88Å; H658-N660 PolarHBondContact O-N 3.19Å; N660-K662 WeakPolarHBondContact OD1-CE 3.29Å; N660-K662 PolarHBondContact OD1-NZ 3.07Å; N660-N665 PolarHBondContact O-ND2 3.42Å
661	L	90.6	Very high	85.4	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.219	C	C	.	.			trans	-73.9	128.4	-178.5	-176.6	66.9	0	0	0	109.9	M647 H658 I676 S724 F725 I728	M647-L661 HydrophobicContact CE-CD2 4.32Å; M647-L661 HydrophobicContact CG-CD2 4.06Å; M647-L661 HydrophobicContact SD-CD1 3.94Å; M647-L661 HydrophobicContact SD-CD2 3.92Å; M647-L661 HydrophobicContact SD-CG 4.47Å; H658-L661 PolarHBondContact ND1-N 3.34Å; L661-I676 HydrophobicContact CD1-CG2 4.05Å; L661-S724 WeakPolarHBondContact O-CB 3.33Å; L661-F725 HydrophobicContact CD2-CB 4.31Å; L661-I728 HydrophobicContact CD2-CD1 4.27Å; L661-I728 HydrophobicContact CG-CD1 3.84Å
662	K	90.5	Very high	84.6	Confident	17 Å²	17	38.9 Å²	38.9	7%	0.074	23%	0.233	C	C	.	.			trans	-151	159.3	-177.9	-58	-179.1	-178.1	162	0	109.6	N660 S664 N665 C666 K698 W701	N660-K662 WeakPolarHBondContact OD1-CE 3.29Å; N660-K662 PolarHBondContact OD1-NZ 3.07Å; K662-S664 PolarHBondContact O-N 2.85Å; K662-N665 PolarHBondContact O-N 2.98Å; K662-C666 PolarHBondContact O-N 2.88Å; K662-K698 WeakPolarHBondContact CE-O 3.33Å; K662-K698 PolarHBondContact NZ-O 2.74Å; K662-W701 HydrophobicContact CB-CD2 3.99Å; K662-W701 HydrophobicContact CB-CE3 4.3Å; K662-W701 HydrophobicContact CB-CG 4.27Å; K662-W701 HydrophobicContact CB-CZ2 4.46Å; K662-W701 HydrophobicContact CD-CD2 4.09Å; K662-W701 HydrophobicContact CD-CE3 3.58Å; K662-W701 HydrophobicContact CD-CZ3 3.92Å; K662-W701 HydrophobicContact CG-CB 4.09Å; K662-W701 HydrophobicContact CG-CD2 3.7Å; K662-W701 HydrophobicContact CG-CE3 3.75Å; K662-W701 HydrophobicContact CG-CG 3.88Å; K662-W701 HydrophobicContact CG-CZ3 4.39Å
663	S	89.2	Confident	84.4	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-58.6	-32.6	173.3	47.3	0	0	0	0	112.5	L620 Q621 N665 C666 W701 E731	L620-S663 WeakPolarHBondContact CB-O 3.41Å; L620-S663 PolarHBondContact N-O 3.37Å; Q621-S663 PolarHBondContact N-O 3.21Å; S663-N665 VanDerWaalsContact C-N 3.26Å; S663-N665 PolarHBondContact O-N 3.12Å; S663-C666 PolarHBondContact O-N 3.47Å; S663-W701 WeakPolarHBondContact OG-CZ2 3.46Å; S663-E731 VanDerWaalsContact CB-OE2 3.27Å; S663-E731 WeakPolarHBondContact CB-OE2 2.97Å; S663-E731 PolarHBondContact OG-OE2 3.36Å
664	S	88.2	Confident	84.7	Confident	44 Å²	44	32.9 Å²	32.9	31%	0.308	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-65.5	-23.8	172.6	71.5	0	0	0	0	114.6	S619 K662	S619-S664 WeakPolarHBondContact CB-O 3.32Å; K662-S664 PolarHBondContact O-N 2.85Å
665	N	90.9	Very high	85.5	Confident	12 Å²	12	30.2 Å²	30.2	6%	0.064	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-98.2	4.1	-179.1	-67	-9	0	0	0	112.3	N660 K662 S663 T677	N660-N665 PolarHBondContact O-ND2 3.42Å; K662-N665 PolarHBondContact O-N 2.98Å; S663-N665 VanDerWaalsContact C-N 3.26Å; S663-N665 PolarHBondContact O-N 3.12Å; N665-T677 HydrophobicContact CB-CG2 4.45Å; N665-T677 WeakPolarHBondContact O-CG2 3.47Å; N665-T677 PolarHBondContact O-N 2.85Å
666	C	92.6	Very high	86.1	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	108.4	169.5	-66.4	0	0	0	0	107.2	S619 L620 K662 S663 L674 K675	S619-C666 CarbonylContact C-O 3.57Å; S619-C666 VanDerWaalsContact CA-O 3.32Å; S619-C666 WeakPolarHBondContact CA-O 3.49Å; L620-C666 HydrophobicContact CB-CB 3.88Å; L620-C666 HydrophobicContact CD2-CB 4.27Å; L620-C666 PolarHBondContact N-O 3.36Å; K662-C666 PolarHBondContact O-N 2.88Å; S663-C666 PolarHBondContact O-N 3.47Å; C666-L674 HydrophobicContact CB-CD1 4.01Å; C666-L674 HydrophobicContact CB-CD2 3.9Å; C666-L674 HydrophobicContact CB-CG 4.12Å; C666-K675 CarbonylContact C-O 3.54Å
667	V	91.6	Very high	86.3	Confident	23 Å²	23	26.6 Å²	26.6	14%	0.139	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	151.7	-176.2	-66.6	0	0	0	0	111.2	T596 C615 G618 K675 T677	T596-V667 HydrophobicContact CG2-CG2 3.42Å; T596-V667 VanDerWaalsContact CG2-CG2 3.42Å; C615-V667 HydrophobicContact CB-CB 3.82Å; C615-V667 HydrophobicContact CB-CG2 3.92Å; C615-V667 VanDerWaalsContact SG-CG2 3.51Å; G618-V667 WeakPolarHBondContact O-CA 3.5Å; V667-K675 HydrophobicContact CG2-CB 4.29Å; V667-K675 WeakPolarHBondContact CG2-O 3.28Å; V667-K675 PolarHBondContact N-O 3.39Å; V667-K675 PolarHBondContact O-N 3.2Å; V667-T677 HydrophobicContact CG1-CG2 4.05Å; V667-T677 HydrophobicContact CG2-CG2 4.37Å
668	V	85.9	Confident	86.2	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.1	-173.4	-178.7	0	0	0	0	111.3	C615 R617 G618 I623 L639 F672 L674	C615-V668 WeakPolarHBondContact CB-O 3.43Å; R617-V668 HydrophobicContact CB-CB 4.01Å; R617-V668 HydrophobicContact CB-CG1 4.09Å; R617-V668 WeakPolarHBondContact CB-O 3.35Å; R617-V668 HydrophobicContact CG-CG1 4.45Å; R617-V668 PolarHBondContact N-O 3.47Å; G618-V668 PolarHBondContact O-N 2.94Å; I623-V668 HydrophobicContact CD1-CB 3.77Å; I623-V668 HydrophobicContact CD1-CG1 4.26Å; I623-V668 HydrophobicContact CD1-CG2 3.46Å; I623-V668 VanDerWaalsContact CD1-CG2 3.46Å; L639-V668 HydrophobicContact CD2-CG2 4.43Å; V668-F672 HydrophobicContact CG1-CD1 4.22Å; V668-L674 HydrophobicContact CG2-CB 4.4Å; V668-L674 HydrophobicContact CG2-CG 4.45Å
669	D	80.7	Confident	86.1	Confident	11 Å²	11	29 Å²	29	6%	0.059	16%	0.159	C	C	.	.			trans	-78.6	-180	-178.7	81.3	3.4	0	0	0	113	R617 R671 F672 V673 K675	R617-D669 WeakPolarHBondContact CG-O 3.25Å; D669-R671 PolarHBondContact O-N 2.91Å; D669-R671 WeakPolarHBondContact OD1-CA 3.32Å; D669-R671 PolarHBondContact OD1-N 3.1Å; D669-F672 PolarHBondContact O-N 2.84Å; D669-F672 PolarHBondContact OD1-N 3.06Å; D669-V673 PolarHBondContact N-O 2.86Å; D669-V673 PolarHBondContact OD1-N 3.39Å; D669-K675 WeakPolarHBondContact OD2-CE 3.28Å; D669-K675 IonicContact OD2-NZ 2.71Å
670	G	69.1	Low	86	Confident	46 Å²	46	28.3 Å²	28.3	47%	0.474	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-19.3	-179.6	0	0	0	0	0	114.7
671	R	72.4	Confident	85.5	Confident	168 Å²	168	26.3 Å²	26.3	63%	0.634	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.8	13.2	-178.7	-58.6	-175.2	-59.6	161.8	11.2	112.6	E593 D669 V673	E593-R671 IonicContact OE1-NH2 2.92Å; E593-R671 PolarHBondContact OE1-NH2 3.36Å; D669-R671 PolarHBondContact O-N 2.91Å; D669-R671 WeakPolarHBondContact OD1-CA 3.32Å; D669-R671 PolarHBondContact OD1-N 3.1Å; R671-V673 HydrophobicContact CB-CG2 4.37Å; R671-V673 PolarHBondContact O-N 2.85Å
672	F	74.7	Confident	84.8	Confident	86 Å²	86	29.4 Å²	29.4	38%	0.377	16%	0.157	S	C	.	.	S	Bend	trans	61.9	23.9	-175.8	-68.8	-79.8	0	0	0	114.9	F635 V668 D669	F635-F672 HydrophobicContact CE2-CB 4.01Å; F635-F672 AromaticContact CE2-CD1 3.89Å; F635-F672 HydrophobicContact CE2-CD1 3.89Å; F635-F672 HydrophobicContact CE2-CG 4.08Å; F635-F672 HydrophobicContact CZ-CB 4.33Å; F635-F672 AromaticContact CZ-CD1 3.56Å; F635-F672 HydrophobicContact CZ-CD1 3.56Å; F635-F672 HydrophobicContact CZ-CE1 4.12Å; F635-F672 HydrophobicContact CZ-CG 4.21Å; V668-F672 HydrophobicContact CG1-CD1 4.22Å; D669-F672 PolarHBondContact O-N 2.84Å; D669-F672 PolarHBondContact OD1-N 3.06Å
673	V	82.9	Confident	83.9	Confident	22 Å²	22	29.9 Å²	29.9	13%	0.133	16%	0.162	C	C	.	.			trans	-87.4	128.7	171.1	-178	0	0	0	0	109.1	E593 D669 R671	E593-V673 HydrophobicContact CG-CG1 4.3Å; D669-V673 PolarHBondContact N-O 2.86Å; D669-V673 PolarHBondContact OD1-N 3.39Å; R671-V673 HydrophobicContact CB-CG2 4.37Å; R671-V673 PolarHBondContact O-N 2.85Å
674	L	90.9	Very high	83.1	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	130.7	177.3	-174.1	157.9	0	0	0	110.4	H594 L620 L639 D642 I643 C666 V668 I676	H594-L674 PolarHBondContact ND1-O 2.64Å; L620-L674 HydrophobicContact CB-CD1 4.5Å; L620-L674 HydrophobicContact CD1-CD1 4.42Å; L620-L674 HydrophobicContact CD2-CD1 4.2Å; L639-L674 HydrophobicContact CB-CD1 4.22Å; L639-L674 HydrophobicContact CD2-CB 4.07Å; L639-L674 HydrophobicContact CD2-CD1 4.04Å; D642-L674 HydrophobicContact CB-CB 3.87Å; D642-L674 PolarHBondContact OD2-N 2.78Å; I643-L674 HydrophobicContact CB-CD2 4.44Å; I643-L674 HydrophobicContact CD1-CD1 3.91Å; I643-L674 HydrophobicContact CD1-CD2 4.49Å; I643-L674 HydrophobicContact CG1-CD1 3.67Å; I643-L674 HydrophobicContact CG1-CD2 3.44Å; I643-L674 VanDerWaalsContact CG1-CD2 3.44Å; I643-L674 HydrophobicContact CG1-CG 4.21Å; C666-L674 HydrophobicContact CB-CD1 4.01Å; C666-L674 HydrophobicContact CB-CD2 3.9Å; C666-L674 HydrophobicContact CB-CG 4.12Å; V668-L674 HydrophobicContact CG2-CB 4.4Å; V668-L674 HydrophobicContact CG2-CG 4.45Å; L674-I676 HydrophobicContact CD2-CG1 4.41Å
675	K	92.8	Very high	82.3	Confident	20 Å²	20	30.6 Å²	30.6	9%	0.087	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	138.2	177.8	-55.4	-168.4	-179.4	-175.3	0	111.2	E593 H594 T596 E613 C666 V667 D669	E593-K675 WeakPolarHBondContact O-CE 3.24Å; E593-K675 WeakPolarHBondContact O-CG 3.25Å; H594-K675 CarbonylContact O-C 3.56Å; H594-K675 WeakPolarHBondContact O-CA 3.47Å; T596-K675 HydrophobicContact CG2-CB 3.95Å; E613-K675 IonicContact OE1-NZ 3.78Å; E613-K675 PolarHBondContact OE1-NZ 3.47Å; E613-K675 IonicContact OE2-NZ 3.23Å; E613-K675 PolarHBondContact OE2-NZ 3.36Å; C666-K675 CarbonylContact C-O 3.54Å; V667-K675 HydrophobicContact CG2-CB 4.29Å; V667-K675 WeakPolarHBondContact CG2-O 3.28Å; V667-K675 PolarHBondContact N-O 3.39Å; V667-K675 PolarHBondContact O-N 3.2Å; D669-K675 WeakPolarHBondContact OD2-CE 3.28Å; D669-K675 IonicContact OD2-NZ 2.71Å
676	I	93.4	Very high	81	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	132.5	176.3	-50.3	176.7	0	0	0	109.1	H594 L595 T596 I643 M647 H658 L661 L674 Y679	H594-I676 PolarHBondContact O-N 3.41Å; L595-I676 HydrophobicContact CD2-CB 3.78Å; L595-I676 HydrophobicContact CD2-CD1 4.5Å; L595-I676 HydrophobicContact CD2-CG1 4.42Å; T596-I676 PolarHBondContact N-O 3.05Å; T596-I676 PolarHBondContact OG1-O 2.81Å; I643-I676 HydrophobicContact CG2-CD1 4.48Å; M647-I676 HydrophobicContact CB-CD1 4.44Å; M647-I676 HydrophobicContact CG-CD1 3.55Å; M647-I676 HydrophobicContact SD-CD1 3.58Å; M647-I676 VanDerWaalsContact SD-CD1 3.58Å; H658-I676 VanDerWaalsContact CD2-CG2 3.43Å; H658-I676 WeakPolarHBondContact CD2-CG2 3.45Å; H658-I676 WeakPolarHBondContact NE2-CG2 3.13Å; L661-I676 HydrophobicContact CD1-CG2 4.05Å; L674-I676 HydrophobicContact CD2-CG1 4.41Å; I676-Y679 WeakPolarHBondContact O-CD1 3.34Å; I676-Y679 WeakPolarHBondContact O-CE1 3.19Å
677	T	89.6	Confident	79.2	Confident	16 Å²	16	40.7 Å²	40.7	10%	0.098	21%	0.211	C	C	.	.			trans	-120.3	173.3	179.3	-158.5	0	0	0	0	111.9	T596 H658 N665 V667 Y679	T596-T677 WeakPolarHBondContact OG1-CA 3.28Å; T596-T677 WeakPolarHBondContact OG1-CB 2.99Å; T596-T677 PolarHBondContact OG1-OG1 3.27Å; H658-T677 PolarHBondContact NE2-O 3.09Å; N665-T677 HydrophobicContact CB-CG2 4.45Å; N665-T677 WeakPolarHBondContact O-CG2 3.47Å; N665-T677 PolarHBondContact O-N 2.85Å; V667-T677 HydrophobicContact CG1-CG2 4.05Å; V667-T677 HydrophobicContact CG2-CG2 4.37Å; T677-Y679 PolarHBondContact O-N 3.19Å
678	D	85.4	Confident	77.2	Confident	53 Å²	53	45 Å²	45	28%	0.283	23%	0.234	S	C	.	.	S	Bend	trans	59.7	25	179.5	-85.8	-22.8	0	0	0	115.7	K567 R685	K567-D678 WeakPolarHBondContact CD-OD1 3.45Å; K567-D678 IonicContact NZ-OD1 3.09Å; K567-D678 PolarHBondContact NZ-OD1 2.71Å; K567-D678 IonicContact NZ-OD2 3.46Å; K567-D678 PolarHBondContact NZ-OD2 2.63Å; D678-R685 PolarHBondContact O-NH2 3.04Å; D678-R685 VanDerWaalsContact O-NH2 3.08Å
679	Y	87.3	Confident	75.4	Confident	5 Å²	5	49.7 Å²	49.7	2%	0.02	26%	0.264	C	S	.	.			trans	-82.3	153	171.8	63.7	-94.9	0	0	0	111.8	M587 V590 L595 T596 L650 I655 I676 T677	M587-Y679 HydrophobicContact CE-CD2 3.71Å; M587-Y679 HydrophobicContact CE-CE2 3.45Å; M587-Y679 VanDerWaalsContact CE-CE2 3.45Å; M587-Y679 WeakPolarHBondContact CE-O 3.42Å; M587-Y679 HydrophobicContact SD-CD2 3.78Å; M587-Y679 HydrophobicContact SD-CE2 3.68Å; V590-Y679 HydrophobicContact CG1-CE2 4.11Å; L595-Y679 HydrophobicContact CB-CE1 3.8Å; L595-Y679 HydrophobicContact CD1-CE1 4.32Å; L595-Y679 HydrophobicContact CD1-CE2 4.43Å; L595-Y679 HydrophobicContact CD2-CD1 4.16Å; L595-Y679 HydrophobicContact CD2-CE1 4.1Å; L595-Y679 HydrophobicContact CG-CE1 4.3Å; T596-Y679 PolarHBondContact O-OH 3.3Å; L650-Y679 HydrophobicContact CD1-CG 4.4Å; L650-Y679 HydrophobicContact CD2-CD2 3.88Å; L650-Y679 HydrophobicContact CD2-CE2 4.4Å; L650-Y679 HydrophobicContact CD2-CG 4.05Å; I655-Y679 HydrophobicContact CD1-CD2 3.53Å; I655-Y679 HydrophobicContact CD1-CE2 3.81Å; I676-Y679 WeakPolarHBondContact O-CD1 3.34Å; I676-Y679 WeakPolarHBondContact O-CE1 3.19Å; T677-Y679 PolarHBondContact O-N 3.19Å
680	G	81.1	Confident	74.1	Confident	15 Å²	15	53.3 Å²	53.3	16%	0.155	28%	0.28	C	S	.	.			trans	67.9	-156.7	177.4	0	0	0	0	0	115.3	E682 R685	G680-E682 PolarHBondContact O-N 3.05Å; G680-R685 PolarHBondContact O-NE 2.75Å
681	L	76.8	Confident	73.3	Confident	14 Å²	14	59.4 Å²	59.4	7%	0.073	30%	0.297	C	S	.	.			trans	50.6	53.9	-179.8	-61	172.8	0	0	0	114.1	L584 M587 F598 I610 S683 F684 R685	L584-L681 HydrophobicContact CD2-CD2 3.7Å; L584-L681 HydrophobicContact CG-CD2 4.24Å; M587-L681 HydrophobicContact CE-CD1 4.31Å; M587-L681 HydrophobicContact CE-CG 4.24Å; M587-L681 HydrophobicContact CG-CD2 3.74Å; M587-L681 HydrophobicContact CG-CG 3.81Å; M587-L681 HydrophobicContact SD-CG 4.35Å; F598-L681 HydrophobicContact CD2-CD1 4.47Å; F598-L681 HydrophobicContact CE2-CD1 3.94Å; I610-L681 HydrophobicContact CD1-CD1 3.81Å; I610-L681 HydrophobicContact CG1-CD1 4.33Å; I610-L681 HydrophobicContact CG2-CD1 4.33Å; L681-S683 PolarHBondContact O-N 3.48Å; L681-S683 VanDerWaalsContact O-N 3.15Å; L681-F684 HydrophobicContact CB-CB 4.16Å; L681-F684 HydrophobicContact CB-CD2 4.09Å; L681-F684 HydrophobicContact CB-CG 4.48Å; L681-F684 HydrophobicContact CD2-CD2 4.03Å; L681-F684 HydrophobicContact CD2-CE2 4.23Å; L681-F684 PolarHBondContact O-N 2.94Å; L681-R685 PolarHBondContact O-N 2.91Å
682	E	74	Confident	72.8	Confident	66 Å²	66	53.4 Å²	53.4	31%	0.308	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-48.4	-43.8	179.3	-178.4	177.4	-140	0	0	111.8	K579 G680 F684 R685 V714	K579-E682 IonicContact NZ-OE2 3.99Å; K579-E682 PolarHBondContact NZ-OE2 3.2Å; G680-E682 PolarHBondContact O-N 3.05Å; E682-F684 PolarHBondContact O-N 3.05Å; E682-R685 PolarHBondContact O-N 2.89Å; E682-V714 HydrophobicContact CG-CB 3.93Å; E682-V714 HydrophobicContact CG-CG1 3.78Å
683	S	72.6	Confident	72.2	Confident	27 Å²	27	55.1 Å²	55.1	19%	0.189	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-68.4	-19.7	-176.1	-54	0	0	0	0	114.2	R571 E583 L681	R571-S683 PolarHBondContact NH1-O 2.89Å; E583-S683 PolarHBondContact OE1-OG 2.78Å; E583-S683 WeakPolarHBondContact OE2-CB 3.34Å; E583-S683 PolarHBondContact OE2-N 3.35Å; E583-S683 PolarHBondContact OE2-OG 3.27Å; L681-S683 PolarHBondContact O-N 3.48Å; L681-S683 VanDerWaalsContact O-N 3.15Å
684	F	71.3	Confident	71.5	Confident	9 Å²	9	57.7 Å²	57.7	4%	0.039	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-101.3	-2.9	-178.8	-67.8	-100.9	0	0	0	113.3	V569 I574 V580 L584 T603 I610 L681 E682	V569-F684 HydrophobicContact CG2-CD1 4.48Å; I574-F684 HydrophobicContact CD1-CD1 3.36Å; I574-F684 HydrophobicContact CD1-CE1 3.31Å; I574-F684 HydrophobicContact CD1-CG 4.3Å; I574-F684 HydrophobicContact CD1-CZ 4.22Å; I574-F684 HydrophobicContact CG2-CE1 4.37Å; I574-F684 HydrophobicContact CG2-CZ 4.29Å; V580-F684 HydrophobicContact CG1-CE2 3.71Å; V580-F684 HydrophobicContact CG1-CZ 4.11Å; L584-F684 HydrophobicContact CD1-CE2 4.22Å; L584-F684 HydrophobicContact CD1-CZ 4.1Å; L584-F684 HydrophobicContact CD2-CE2 4.04Å; L584-F684 HydrophobicContact CD2-CZ 4.15Å; L584-F684 HydrophobicContact CG-CE2 4.16Å; L584-F684 HydrophobicContact CG-CZ 4.43Å; T603-F684 HydrophobicContact CG2-CE1 4.47Å; I610-F684 HydrophobicContact CD1-CB 4.1Å; I610-F684 HydrophobicContact CD1-CD1 4.4Å; I610-F684 HydrophobicContact CD1-CG 4.42Å; L681-F684 HydrophobicContact CB-CB 4.16Å; L681-F684 HydrophobicContact CB-CD2 4.09Å; L681-F684 HydrophobicContact CB-CG 4.48Å; L681-F684 HydrophobicContact CD2-CD2 4.03Å; L681-F684 HydrophobicContact CD2-CE2 4.23Å; L681-F684 PolarHBondContact O-N 2.94Å; E682-F684 PolarHBondContact O-N 3.05Å
685	R	73.2	Confident	70.7	Confident	50 Å²	50	60.2 Å²	60.2	19%	0.189	33%	0.325	C	S	.	.	S	Bend	trans	-73.3	128	174.8	-68.5	-179.7	174.8	-170.4	-8	109.4	R571 H658 D678 G680 L681 E682 V714	R571-R685 PolarHBondContact NH2-O 3.48Å; H658-R685 PolarHBondContact O-NH1 3.33Å; H658-R685 PolarHBondContact O-NH2 3.08Å; D678-R685 PolarHBondContact O-NH2 3.04Å; D678-R685 VanDerWaalsContact O-NH2 3.08Å; G680-R685 PolarHBondContact O-NE 2.75Å; L681-R685 PolarHBondContact O-N 2.91Å; E682-R685 PolarHBondContact O-N 2.89Å; R685-V714 HydrophobicContact CB-CG1 4.23Å; R685-V714 PolarHBondContact NH1-O 2.78Å
686	D	62.3	Low	69.9	Low	79 Å²	79	62.6 Å²	62.6	42%	0.422	33%	0.334	S	S	.	.			trans	-72.1	135.4	177.9	-71.4	-31	0	0	0	110.1	N570	N570-D686 PolarHBondContact N-OD2 3.46Å
687	L	55	Low	69.2	Low	144 Å²	144	64.2 Å²	64.2	75%	0.754	35%	0.347	S	S	*	.			trans	-97.9	2.7	175.4	-77.9	163.9	0	0	0	112.1
688	D	50.1	Low	68.8	Low	115 Å²	115	68 Å²	68	62%	0.615	36%	0.362	S	S	*	.			trans	-68.4	139.2	-170.2	-91	-15	0	0	0	112.2	E690	D688-E690 PolarHBondContact O-N 3Å
689	P	48	Very low	68.7	Low	97 Å²	97	69.3 Å²	69.3	63%	0.63	37%	0.366	S	S	*	.			trans	-79.2	91	-177.7	32.1	-32.3	0	0	0	109.4	Q691	P689-Q691 PolarHBondContact O-N 3Å; P689-Q691 VanDerWaalsContact O-N 3.16Å
690	E	52.7	Low	68.7	Low	87 Å²	87	69.8 Å²	69.8	41%	0.407	37%	0.369	S	S	.	.			trans	-57.3	121.2	159.1	-76.3	-176.3	-172.8	0	0	107.8	D688 L695 K698	D688-E690 PolarHBondContact O-N 3Å; E690-L695 WeakPolarHBondContact O-CB 3.14Å; E690-K698 IonicContact OE1-NZ 3.55Å; E690-K698 PolarHBondContact OE1-NZ 2.66Å; E690-K698 IonicContact OE2-NZ 3.99Å; E690-K698 PolarHBondContact OE2-NZ 3.27Å
691	Q	52.7	Low	69.2	Low	174 Å²	174	69.9 Å²	69.9	81%	0.813	36%	0.364	S	S	*	.			trans	-91.3	141.2	178.7	-67.1	177.8	14	0	0	110.2	P689	P689-Q691 PolarHBondContact O-N 3Å; P689-Q691 VanDerWaalsContact O-N 3.16Å
692	G	62.2	Low	69.8	Low	42 Å²	42	70.8 Å²	70.8	43%	0.433	37%	0.371	S	S	.	.	S	Bend	trans	100.2	-154.4	169.5	0	0	0	0	0	115.3	T694 L695 Y696	G692-T694 VanDerWaalsContact C-N 3.31Å; G692-T694 PolarHBondContact O-N 3.32Å; G692-L695 PolarHBondContact O-N 2.65Å; G692-Y696 WeakPolarHBondContact O-CD2 3.27Å
693	H	62.8	Low	70.5	Confident	122 Å²	122	67.7 Å²	67.7	57%	0.565	36%	0.356	S	S	*	.	H	α-helix	trans	-62.6	-32.1	-167.6	-137.2	-101	0	0	0	113.8	L695 Y696 A697 P748	H693-L695 PolarHBondContact O-N 2.93Å; H693-Y696 PolarHBondContact O-N 3.25Å; H693-A697 PolarHBondContact O-N 3.24Å; H693-P748 VanDerWaalsContact CE1-CD 3.45Å; H693-P748 WeakPolarHBondContact CE1-CD 3.39Å
694	T	67.6	Low	71.3	Confident	77 Å²	77	66.4 Å²	66.4	47%	0.472	35%	0.347	S	S	.	.	H	α-helix	trans	-68.4	-32.6	-178.7	49.1	0	0	0	0	113.3	G692 K698	G692-T694 VanDerWaalsContact C-N 3.31Å; G692-T694 PolarHBondContact O-N 3.32Å; T694-K698 WeakPolarHBondContact O-CB 3.41Å; T694-K698 WeakPolarHBondContact O-CG 3.31Å; T694-K698 PolarHBondContact O-N 2.87Å
695	L	73.8	Confident	72.1	Confident	53 Å²	53	67.3 Å²	67.3	28%	0.277	35%	0.352	S	S	.	.	H	α-helix	trans	-65.1	-46.6	176.2	-175.9	73.5	0	0	0	111.2	E690 G692 H693 K698 K699	E690-L695 WeakPolarHBondContact O-CB 3.14Å; G692-L695 PolarHBondContact O-N 2.65Å; H693-L695 PolarHBondContact O-N 2.93Å; L695-K698 PolarHBondContact O-N 3.38Å; L695-K699 WeakPolarHBondContact O-CG 3.26Å; L695-K699 PolarHBondContact O-N 3.42Å
696	Y	77	Confident	72.7	Confident	69 Å²	69	66 Å²	66	27%	0.271	35%	0.348	S	S	.	.	H	α-helix	trans	-68.3	-40.3	179.2	-68.6	-78.9	0	0	0	111.3	G692 H693 K698 K699 L700 K749 I752	G692-Y696 WeakPolarHBondContact O-CD2 3.27Å; H693-Y696 PolarHBondContact O-N 3.25Å; Y696-K698 PolarHBondContact O-N 3.48Å; Y696-K699 PolarHBondContact O-N 3.49Å; Y696-L700 PolarHBondContact O-N 2.92Å; Y696-K749 HydrophobicContact CD1-CB 4.25Å; Y696-K749 HydrophobicContact CD1-CG 4.16Å; Y696-K749 HydrophobicContact CD2-CB 4.13Å; Y696-K749 HydrophobicContact CD2-CG 4.21Å; Y696-K749 HydrophobicContact CE1-CG 3.97Å; Y696-K749 HydrophobicContact CE2-CB 4.45Å; Y696-K749 HydrophobicContact CE2-CD 4.12Å; Y696-K749 HydrophobicContact CE2-CG 4.03Å; Y696-K749 HydrophobicContact CG-CB 4.02Å; Y696-K749 HydrophobicContact CG-CG 4.27Å; Y696-I752 HydrophobicContact CD1-CB 4.16Å; Y696-I752 HydrophobicContact CD1-CG1 4.46Å; Y696-I752 HydrophobicContact CD1-CG2 4.14Å
697	A	78.6	Confident	73.8	Confident	34 Å²	34	63.7 Å²	63.7	28%	0.281	34%	0.335	S	S	.	.	H	α-helix	trans	-58.6	-45.4	173.9	0	0	0	0	0	112.1	H693 K699 L700 W701 P748	H693-A697 PolarHBondContact O-N 3.24Å; A697-K699 PolarHBondContact O-N 3.17Å; A697-K699 VanDerWaalsContact O-N 3.15Å; A697-L700 WeakPolarHBondContact O-CB 3.18Å; A697-L700 WeakPolarHBondContact O-CG 3.31Å; A697-L700 PolarHBondContact O-N 3.13Å; A697-W701 VanDerWaalsContact O-CZ3 3.27Å; A697-W701 WeakPolarHBondContact O-CZ3 3.48Å; A697-P748 HydrophobicContact CB-CB 4.43Å; A697-P748 HydrophobicContact CB-CG 4.44Å
698	K	79.4	Confident	75.3	Confident	95 Å²	95	62.1 Å²	62.1	41%	0.413	32%	0.319	S	S	.	.	H	α-helix	trans	-62.5	-21	175	-77.6	176.3	178.4	173.5	0	113.2	K662 E690 T694 L695 Y696	K662-K698 WeakPolarHBondContact CE-O 3.33Å; K662-K698 PolarHBondContact NZ-O 2.74Å; E690-K698 IonicContact OE1-NZ 3.55Å; E690-K698 PolarHBondContact OE1-NZ 2.66Å; E690-K698 IonicContact OE2-NZ 3.99Å; E690-K698 PolarHBondContact OE2-NZ 3.27Å; T694-K698 WeakPolarHBondContact O-CB 3.41Å; T694-K698 WeakPolarHBondContact O-CG 3.31Å; T694-K698 PolarHBondContact O-N 2.87Å; L695-K698 PolarHBondContact O-N 3.38Å; Y696-K698 PolarHBondContact O-N 3.48Å
699	K	84.6	Confident	76.9	Confident	82 Å²	82	61.1 Å²	61.1	36%	0.357	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-5.3	-178.6	-75.3	-178.4	177.8	-169.2	0	113.9	L695 Y696 A697 W701 T702 L707 I752	L695-K699 WeakPolarHBondContact O-CG 3.26Å; L695-K699 PolarHBondContact O-N 3.42Å; Y696-K699 PolarHBondContact O-N 3.49Å; A697-K699 PolarHBondContact O-N 3.17Å; A697-K699 VanDerWaalsContact O-N 3.15Å; K699-W701 PolarHBondContact O-N 3.44Å; K699-W701 VanDerWaalsContact O-N 3.16Å; K699-T702 WeakPolarHBondContact O-CB 3.49Å; K699-T702 PolarHBondContact O-N 3.15Å; K699-T702 PolarHBondContact O-OG1 3.05Å; K699-T702 VanDerWaalsContact O-OG1 3.13Å; K699-L707 HydrophobicContact CB-CD2 4.19Å; K699-L707 HydrophobicContact CD-CD2 4.02Å; K699-L707 HydrophobicContact CG-CD2 4.37Å; K699-I752 HydrophobicContact CB-CD1 3.88Å; K699-I752 HydrophobicContact CB-CG1 4.33Å; K699-I752 WeakPolarHBondContact O-CD1 3.33Å
700	L	87.5	Confident	77.9	Confident	15 Å²	15	61.9 Å²	61.9	8%	0.079	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-30.9	-175.6	-69.9	172.7	0	0	0	114.5	Y696 A697 T702 V738 P748 I751 I752	Y696-L700 PolarHBondContact O-N 2.92Å; A697-L700 WeakPolarHBondContact O-CB 3.18Å; A697-L700 WeakPolarHBondContact O-CG 3.31Å; A697-L700 PolarHBondContact O-N 3.13Å; L700-T702 VanDerWaalsContact C-N 3.35Å; L700-V738 HydrophobicContact CB-CG1 3.79Å; L700-V738 HydrophobicContact CD1-CB 4.22Å; L700-V738 HydrophobicContact CD1-CG1 3.98Å; L700-P748 HydrophobicContact CD1-CB 4.31Å; L700-P748 HydrophobicContact CD2-CB 4.22Å; L700-P748 HydrophobicContact CG-CB 4.45Å; L700-I751 HydrophobicContact CD2-CB 4.16Å; L700-I751 HydrophobicContact CD2-CD1 4.32Å; L700-I751 HydrophobicContact CD2-CG2 3.82Å; L700-I752 HydrophobicContact CD2-CD1 4.31Å; L700-I752 HydrophobicContact CD2-CG1 4.28Å
701	W	90.8	Very high	78.8	Confident	16 Å²	16	62.7 Å²	62.7	6%	0.061	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-2.1	175.6	-58.7	-94.1	0	0	0	114	K662 S663 A697 K699 S724 I727 E731 V738	K662-W701 HydrophobicContact CB-CD2 3.99Å; K662-W701 HydrophobicContact CB-CE3 4.3Å; K662-W701 HydrophobicContact CB-CG 4.27Å; K662-W701 HydrophobicContact CB-CZ2 4.46Å; K662-W701 HydrophobicContact CD-CD2 4.09Å; K662-W701 HydrophobicContact CD-CE3 3.58Å; K662-W701 HydrophobicContact CD-CZ3 3.92Å; K662-W701 HydrophobicContact CG-CB 4.09Å; K662-W701 HydrophobicContact CG-CD2 3.7Å; K662-W701 HydrophobicContact CG-CE3 3.75Å; K662-W701 HydrophobicContact CG-CG 3.88Å; K662-W701 HydrophobicContact CG-CZ3 4.39Å; S663-W701 WeakPolarHBondContact OG-CZ2 3.46Å; A697-W701 VanDerWaalsContact O-CZ3 3.27Å; A697-W701 WeakPolarHBondContact O-CZ3 3.48Å; K699-W701 PolarHBondContact O-N 3.44Å; K699-W701 VanDerWaalsContact O-N 3.16Å; W701-S724 WeakPolarHBondContact O-CA 3.33Å; W701-S724 WeakPolarHBondContact O-CB 3.46Å; W701-S724 PolarHBondContact O-OG 2.92Å; W701-I727 HydrophobicContact CG-CG2 4.44Å; W701-E731 PolarHBondContact NE1-OE1 3.21Å; W701-V738 HydrophobicContact CD2-CG1 4.06Å; W701-V738 VanDerWaalsContact CE2-CG1 3.47Å; W701-V738 HydrophobicContact CE3-CG1 4.46Å; W701-V738 HydrophobicContact CH2-CB 4.36Å; W701-V738 HydrophobicContact CH2-CG1 3.9Å; W701-V738 HydrophobicContact CH2-CG2 3.66Å; W701-V738 HydrophobicContact CZ2-CB 3.99Å; W701-V738 HydrophobicContact CZ2-CG1 3.43Å; W701-V738 VanDerWaalsContact CZ2-CG1 3.43Å; W701-V738 HydrophobicContact CZ2-CG2 3.27Å; W701-V738 HydrophobicContact CZ3-CG1 4.38Å
702	T	89.1	Confident	80	Confident	34 Å²	34	57.7 Å²	57.7	21%	0.209	32%	0.324	C	S	.	.	S	Bend	trans	-84.3	132	-173.7	-51	0	0	0	0	110.6	K699 L700 L706 L707	K699-T702 WeakPolarHBondContact O-CB 3.49Å; K699-T702 PolarHBondContact O-N 3.15Å; K699-T702 PolarHBondContact O-OG1 3.05Å; K699-T702 VanDerWaalsContact O-OG1 3.13Å; L700-T702 VanDerWaalsContact C-N 3.35Å; T702-L706 HydrophobicContact CG2-CB 3.92Å; T702-L706 HydrophobicContact CG2-CD1 4.49Å; T702-L707 HydrophobicContact CG2-CD2 3.86Å; T702-L707 HydrophobicContact CG2-CG 3.96Å; T702-L707 WeakPolarHBondContact O-CD1 3.36Å
703	A	89.9	Confident	80.7	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.322	C	S	.	.			trans	-64.7	146.9	-178.1	0	0	0	0	0	113.1	E705 L706 L707 Y723	A703-E705 VanDerWaalsContact C-N 3.29Å; A703-E705 VanDerWaalsContact CB-CD 3.47Å; A703-E705 VanDerWaalsContact CB-OE1 3.23Å; A703-E705 WeakPolarHBondContact CB-OE1 3.47Å; A703-E705 VanDerWaalsContact CB-OE2 3.29Å; A703-E705 WeakPolarHBondContact CB-OE2 3.47Å; A703-E705 PolarHBondContact O-N 3.04Å; A703-L706 HydrophobicContact CB-CD1 4.41Å; A703-L706 PolarHBondContact O-N 3.13Å; A703-L707 PolarHBondContact O-N 2.63Å; A703-L707 VanDerWaalsContact O-N 3.1Å; A703-Y723 VanDerWaalsContact CA-CD1 3.49Å; A703-Y723 HydrophobicContact CB-CD1 3.91Å; A703-Y723 HydrophobicContact CB-CD2 4.33Å; A703-Y723 HydrophobicContact CB-CG 3.73Å
704	P	88.6	Confident	81.1	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-58.7	-37.2	-174.4	21.5	-32.9	0	0	0	113.2	L706 L707 R708 Y723 V755	P704-L706 VanDerWaalsContact C-N 3.31Å; P704-L706 PolarHBondContact O-N 3.02Å; P704-L707 PolarHBondContact O-N 3.15Å; P704-R708 WeakPolarHBondContact O-CG 3.24Å; P704-R708 PolarHBondContact O-N 3.11Å; P704-Y723 HydrophobicContact CG-CE2 4.37Å; P704-V755 HydrophobicContact CB-CG1 3.9Å
705	E	87.8	Confident	81.3	Confident	29 Å²	29	59.5 Å²	59.5	14%	0.136	32%	0.319	C	S	.	.	H	α-helix	trans	-65.3	-34.4	178.2	71.3	-77.9	-173.9	0	0	112.5	A703 M709 P788 R791	A703-E705 VanDerWaalsContact C-N 3.29Å; A703-E705 VanDerWaalsContact CB-CD 3.47Å; A703-E705 VanDerWaalsContact CB-OE1 3.23Å; A703-E705 WeakPolarHBondContact CB-OE1 3.47Å; A703-E705 VanDerWaalsContact CB-OE2 3.29Å; A703-E705 WeakPolarHBondContact CB-OE2 3.47Å; A703-E705 PolarHBondContact O-N 3.04Å; E705-M709 WeakPolarHBondContact O-CG 3.17Å; E705-M709 PolarHBondContact O-N 3Å; E705-P788 HydrophobicContact CB-CG 4.26Å; E705-P788 HydrophobicContact CG-CG 3.86Å; E705-R791 IonicContact OE1-CZ 3.59Å; E705-R791 IonicContact OE1-NH1 3.24Å; E705-R791 PolarHBondContact OE1-NH1 2.86Å; E705-R791 IonicContact OE1-NH2 3.51Å; E705-R791 IonicContact OE2-CZ 2.81Å; E705-R791 IonicContact OE2-NH1 3.44Å; E705-R791 PolarHBondContact OE2-NH1 2.71Å; E705-R791 IonicContact OE2-NH2 3.74Å; E705-R791 PolarHBondContact OE2-NH2 3.45Å
706	L	86.1	Confident	81.8	Confident	21 Å²	21	57.4 Å²	57.4	11%	0.11	31%	0.31	C	S	.	.	H	α-helix	trans	-76.2	-31.4	176.9	-63.8	177.1	0	0	0	111.4	T702 A703 P704 M709 P712 P713	T702-L706 HydrophobicContact CG2-CB 3.92Å; T702-L706 HydrophobicContact CG2-CD1 4.49Å; A703-L706 HydrophobicContact CB-CD1 4.41Å; A703-L706 PolarHBondContact O-N 3.13Å; P704-L706 VanDerWaalsContact C-N 3.31Å; P704-L706 PolarHBondContact O-N 3.02Å; L706-M709 HydrophobicContact CD2-SD 4.29Å; L706-P712 HydrophobicContact CD2-CB 4.39Å; L706-P713 HydrophobicContact CD2-CG 4.47Å
707	L	85.5	Confident	82.4	Confident	31 Å²	31	55.8 Å²	55.8	16%	0.162	31%	0.309	C	S	.	.	H	α-helix	trans	-69.9	-32.3	175.3	-68.5	173	0	0	0	112.8	K699 T702 A703 P704 I752 V755	K699-L707 HydrophobicContact CB-CD2 4.19Å; K699-L707 HydrophobicContact CD-CD2 4.02Å; K699-L707 HydrophobicContact CG-CD2 4.37Å; T702-L707 HydrophobicContact CG2-CD2 3.86Å; T702-L707 HydrophobicContact CG2-CG 3.96Å; T702-L707 WeakPolarHBondContact O-CD1 3.36Å; A703-L707 PolarHBondContact O-N 2.63Å; A703-L707 VanDerWaalsContact O-N 3.1Å; P704-L707 PolarHBondContact O-N 3.15Å; L707-I752 HydrophobicContact CD1-CD1 3.99Å; L707-I752 HydrophobicContact CD1-CG2 4.35Å; L707-I752 HydrophobicContact CD2-CG2 4.44Å; L707-V755 HydrophobicContact CD1-CG1 4.28Å
708	R	86.4	Confident	83	Confident	111 Å²	111	58.5 Å²	58.5	42%	0.419	32%	0.316	S	S	.	.	H	α-helix	trans	-79.9	-19.4	178.1	-69.1	175.5	-168.6	140	13.5	113.7	P704 V755 T756 G758 E786	P704-R708 WeakPolarHBondContact O-CG 3.24Å; P704-R708 PolarHBondContact O-N 3.11Å; R708-V755 PolarHBondContact NH2-O 2.92Å; R708-V755 VanDerWaalsContact NH2-O 3.14Å; R708-T756 HydrophobicContact CG-CG2 3.98Å; R708-T756 PolarHBondContact NE-O 3.02Å; R708-G758 VanDerWaalsContact NH2-CA 3.27Å; R708-E786 IonicContact CZ-OE1 3.45Å; R708-E786 IonicContact NH1-OE1 3.02Å; R708-E786 PolarHBondContact NH1-OE1 3.18Å; R708-E786 IonicContact NH2-OE1 2.77Å; R708-E786 PolarHBondContact NH2-OE1 2.79Å
709	M	83	Confident	83.5	Confident	95 Å²	95	55 Å²	55	47%	0.468	31%	0.305	S	S	.	.			trans	-72.3	133.2	178.1	-76.1	177.3	-166.9	0	0	111.2	E705 L706 S711 P712	E705-M709 WeakPolarHBondContact O-CG 3.17Å; E705-M709 PolarHBondContact O-N 3Å; L706-M709 HydrophobicContact CD2-SD 4.29Å; M709-S711 VanDerWaalsContact C-N 3.25Å; M709-S711 PolarHBondContact O-N 3.46Å; M709-P712 HydrophobicContact CB-CB 4.43Å
710	A	69.6	Low	83.8	Confident	113 Å²	113	51.3 Å²	51.3	93%	0.934	29%	0.289	S	S	*	.	S	Bend	trans	-64.1	-31.1	175.2	0	0	0	0	0	112.7
711	S	72.4	Confident	84	Confident	103 Å²	103	50.7 Å²	50.7	72%	0.72	29%	0.286	S	S	*	.	S	Bend	trans	-141.8	85.5	177.1	60.8	0	0	0	0	110.5	M709	M709-S711 VanDerWaalsContact C-N 3.25Å; M709-S711 PolarHBondContact O-N 3.46Å
712	P	76.9	Confident	84.2	Confident	69 Å²	69	50.3 Å²	50.3	45%	0.448	29%	0.285	S	S	.	.			trans	-67.4	147.7	179.6	27.4	-33.4	0	0	0	111.1	L706 M709 V714	L706-P712 HydrophobicContact CD2-CB 4.39Å; M709-P712 HydrophobicContact CB-CB 4.43Å; P712-V714 PolarHBondContact O-N 3.12Å
713	P	77.9	Confident	84.4	Confident	59 Å²	59	48.8 Å²	48.8	38%	0.383	28%	0.276	S	S	.	.			trans	-62.5	134.8	175.9	25.7	-33.1	0	0	0	110.7	L706 R715 G716	L706-P713 HydrophobicContact CD2-CG 4.47Å; P713-R715 HydrophobicContact CB-CG 4.3Å; P713-R715 PolarHBondContact O-N 3.5Å; P713-G716 WeakPolarHBondContact O-CA 3.29Å; P713-G716 PolarHBondContact O-N 3.19Å
714	V	70.1	Confident	84.6	Confident	59 Å²	59	49.1 Å²	49.1	36%	0.358	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-28.3	-177.3	-178.3	0	0	0	0	112.4	E682 R685 P712 G716	E682-V714 HydrophobicContact CG-CB 3.93Å; E682-V714 HydrophobicContact CG-CG1 3.78Å; R685-V714 HydrophobicContact CB-CG1 4.23Å; R685-V714 PolarHBondContact NH1-O 2.78Å; P712-V714 PolarHBondContact O-N 3.12Å; V714-G716 VanDerWaalsContact C-N 3.27Å
715	R	73.4	Confident	84.8	Confident	161 Å²	161	49.2 Å²	49.2	61%	0.608	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-7.9	171.6	67.6	-178.8	-174.7	179	1.4	114.3	S657 G659 P713	S657-R715 WeakPolarHBondContact CB-O 3.45Å; S657-R715 PolarHBondContact OG-O 3.28Å; G659-R715 WeakPolarHBondContact CA-O 3.4Å; P713-R715 HydrophobicContact CB-CG 4.3Å; P713-R715 PolarHBondContact O-N 3.5Å
716	G	83.4	Confident	85	Confident	9 Å²	9	47.8 Å²	47.8	9%	0.093	27%	0.272	C	S	.	.			trans	64.8	-153.5	-172.3	0	0	0	0	0	113.1	P713 V714	P713-G716 WeakPolarHBondContact O-CA 3.29Å; P713-G716 PolarHBondContact O-N 3.19Å; V714-G716 VanDerWaalsContact C-N 3.27Å
717	S	88.9	Confident	85.2	Confident	36 Å²	36	46.8 Å²	46.8	25%	0.252	27%	0.267	S	S	.	.			trans	-135.8	154.1	174.7	67.6	0	0	0	0	109.8	A719 G720 D721	S717-A719 VanDerWaalsContact C-N 3.29Å; S717-A719 PolarHBondContact O-N 3.3Å; S717-G720 WeakPolarHBondContact O-CA 3.37Å; S717-G720 PolarHBondContact O-N 3.24Å; S717-G720 VanDerWaalsContact O-N 3.08Å; S717-G720 PolarHBondContact OG-N 3.47Å; S717-D721 PolarHBondContact O-N 3.07Å; S717-D721 VanDerWaalsContact O-N 3.08Å
718	Q	90.8	Very high	85.5	Confident	91 Å²	91	45.3 Å²	45.3	43%	0.425	26%	0.259	S	S	.	.	H	α-helix	trans	-59.9	-41.3	175.3	-71.3	-176.4	-11.8	0	0	111.7	H651 C656 G720 D721 I722	H651-Q718 PolarHBondContact O-NE2 2.78Å; C656-Q718 VanDerWaalsContact O-CG 3.24Å; C656-Q718 WeakPolarHBondContact O-CG 3.5Å; C656-Q718 PolarHBondContact O-NE2 3.01Å; Q718-G720 VanDerWaalsContact C-N 3.25Å; Q718-G720 PolarHBondContact O-N 2.99Å; Q718-D721 PolarHBondContact O-N 3.27Å; Q718-I722 WeakPolarHBondContact O-CG1 3.28Å; Q718-I722 PolarHBondContact O-N 2.77Å
719	A	90.6	Very high	85.7	Confident	22 Å²	22	40.1 Å²	40.1	18%	0.182	24%	0.24	C	C	.	.	H	α-helix	trans	-64.9	-29	175.3	0	0	0	0	0	113	S717 Y723 P788 R791	S717-A719 VanDerWaalsContact C-N 3.29Å; S717-A719 PolarHBondContact O-N 3.3Å; A719-Y723 PolarHBondContact O-N 3.1Å; A719-P788 HydrophobicContact CB-CB 3.83Å; A719-R791 WeakPolarHBondContact O-CD 3.42Å; A719-R791 PolarHBondContact O-NH1 2.92Å
720	G	90.7	Very high	85.9	Confident	3 Å²	3	35.6 Å²	35.6	3%	0.031	22%	0.217	C	C	.	.	H	α-helix	trans	-69.3	-41.1	173.3	0	0	0	0	0	112.4	S717 Q718 I722 Y723 S724	S717-G720 WeakPolarHBondContact O-CA 3.37Å; S717-G720 PolarHBondContact O-N 3.24Å; S717-G720 VanDerWaalsContact O-N 3.08Å; S717-G720 PolarHBondContact OG-N 3.47Å; Q718-G720 VanDerWaalsContact C-N 3.25Å; Q718-G720 PolarHBondContact O-N 2.99Å; G720-I722 VanDerWaalsContact C-N 3.28Å; G720-I722 PolarHBondContact O-N 3.05Å; G720-Y723 WeakPolarHBondContact O-CB 3.18Å; G720-Y723 PolarHBondContact O-N 3.32Å; G720-S724 PolarHBondContact O-N 3.29Å; G720-S724 PolarHBondContact O-OG 3.16Å
721	D	92.8	Very high	86.9	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.011	17%	0.174	C	C	.	.	H	α-helix	trans	-63.2	-35.3	175.4	-66.7	-27.1	0	0	0	112	M647 H651 S657 H658 G659 S717 Q718 S724 F725 F794	M647-D721 HydrophobicContact CE-CB 3.7Å; M647-D721 WeakPolarHBondContact CE-OD2 3.4Å; H651-D721 IonicContact CD2-OD2 3.78Å; H651-D721 IonicContact CE1-OD2 3.82Å; H651-D721 IonicContact NE2-OD2 2.96Å; H651-D721 PolarHBondContact NE2-OD2 3.01Å; S657-D721 WeakPolarHBondContact CA-OD2 3.48Å; H658-D721 PolarHBondContact N-OD2 2.73Å; G659-D721 PolarHBondContact N-OD1 3.44Å; S717-D721 PolarHBondContact O-N 3.07Å; S717-D721 VanDerWaalsContact O-N 3.08Å; Q718-D721 PolarHBondContact O-N 3.27Å; D721-S724 PolarHBondContact O-N 3.46Å; D721-F725 PolarHBondContact O-N 3.35Å; D721-F794 HydrophobicContact CB-CE2 4.34Å
722	I	94.1	Very high	87.6	Confident	9 Å²	9	25.8 Å²	25.8	5%	0.046	14%	0.141	C	C	.	.	H	α-helix	trans	-66.2	-39.1	176.7	-61.9	160.1	0	0	0	110.8	Q718 G720 F725 G726 C783 R791 P792 F794 I797	Q718-I722 WeakPolarHBondContact O-CG1 3.28Å; Q718-I722 PolarHBondContact O-N 2.77Å; G720-I722 VanDerWaalsContact C-N 3.28Å; G720-I722 PolarHBondContact O-N 3.05Å; I722-F725 WeakPolarHBondContact O-CB 3.39Å; I722-F725 PolarHBondContact O-N 3.13Å; I722-G726 PolarHBondContact O-N 2.85Å; I722-C783 HydrophobicContact CG2-CB 4.13Å; I722-R791 HydrophobicContact CG2-CB 3.96Å; I722-P792 WeakPolarHBondContact CD1-O 3.34Å; I722-F794 HydrophobicContact CG1-CD2 4.16Å; I722-F794 HydrophobicContact CG1-CE2 3.87Å; I722-F794 HydrophobicContact CG1-CZ 4.45Å; I722-I797 HydrophobicContact CG2-CD1 4.12Å
723	Y	93.6	Very high	87.9	Confident	1 Å²	1	23.3 Å²	23.3	0%	0.004	13%	0.126	C	C	.	.	H	α-helix	trans	-61.9	-48	172.8	179.3	-83.4	0	0	0	111.1	A703 P704 A719 G720 F725 G726 I727 C783 W784	A703-Y723 VanDerWaalsContact CA-CD1 3.49Å; A703-Y723 HydrophobicContact CB-CD1 3.91Å; A703-Y723 HydrophobicContact CB-CD2 4.33Å; A703-Y723 HydrophobicContact CB-CG 3.73Å; P704-Y723 HydrophobicContact CG-CE2 4.37Å; A719-Y723 PolarHBondContact O-N 3.1Å; G720-Y723 WeakPolarHBondContact O-CB 3.18Å; G720-Y723 PolarHBondContact O-N 3.32Å; Y723-F725 VanDerWaalsContact C-N 3.27Å; Y723-F725 PolarHBondContact O-N 3.43Å; Y723-G726 PolarHBondContact O-N 2.99Å; Y723-I727 HydrophobicContact CD1-CG1 4.29Å; Y723-I727 HydrophobicContact CE1-CD1 4.24Å; Y723-I727 HydrophobicContact CE1-CG1 3.89Å; Y723-I727 PolarHBondContact O-N 3.36Å; Y723-C783 WeakPolarHBondContact CA-O 3.42Å; Y723-W784 HydrophobicContact CD2-CB 3.81Å; Y723-W784 HydrophobicContact CE2-CB 3.75Å
724	S	93.3	Very high	88	Confident	8 Å²	8	22.6 Å²	22.6	6%	0.056	12%	0.119	C	C	.	.	H	α-helix	trans	-58.3	-40.1	177	-54.6	0	0	0	0	112	L661 W701 G720 D721 G726 I727 I728	L661-S724 WeakPolarHBondContact O-CB 3.33Å; W701-S724 WeakPolarHBondContact O-CA 3.33Å; W701-S724 WeakPolarHBondContact O-CB 3.46Å; W701-S724 PolarHBondContact O-OG 2.92Å; G720-S724 PolarHBondContact O-N 3.29Å; G720-S724 PolarHBondContact O-OG 3.16Å; D721-S724 PolarHBondContact O-N 3.46Å; S724-G726 PolarHBondContact O-N 2.84Å; S724-I727 PolarHBondContact O-N 3.16Å; S724-I728 WeakPolarHBondContact O-CG1 3Å; S724-I728 PolarHBondContact O-N 2.67Å
725	F	94.1	Very high	88.5	Confident	1 Å²	1	22.9 Å²	22.9	0%	0.004	11%	0.113	C	C	.	.	H	α-helix	trans	-61.7	-39.6	173.6	174.8	-102.2	0	0	0	112.6	T640 I643 V644 L661 D721 I722 Y723 I727 I728 L729 F794 I797	T640-F725 HydrophobicContact CG2-CE2 4.23Å; T640-F725 HydrophobicContact CG2-CZ 3.84Å; I643-F725 HydrophobicContact CB-CD2 4.49Å; I643-F725 HydrophobicContact CB-CE2 4.22Å; I643-F725 HydrophobicContact CG2-CD2 3.69Å; I643-F725 HydrophobicContact CG2-CE2 3.9Å; V644-F725 HydrophobicContact CG2-CE1 4.33Å; V644-F725 HydrophobicContact CG2-CE2 3.76Å; V644-F725 HydrophobicContact CG2-CZ 3.53Å; L661-F725 HydrophobicContact CD2-CB 4.31Å; D721-F725 PolarHBondContact O-N 3.35Å; I722-F725 WeakPolarHBondContact O-CB 3.39Å; I722-F725 PolarHBondContact O-N 3.13Å; Y723-F725 VanDerWaalsContact C-N 3.27Å; Y723-F725 PolarHBondContact O-N 3.43Å; F725-I727 VanDerWaalsContact C-N 3.3Å; F725-I727 PolarHBondContact O-N 2.72Å; F725-I728 PolarHBondContact O-N 2.78Å; F725-L729 HydrophobicContact CE1-CD2 4.25Å; F725-L729 WeakPolarHBondContact O-CB 3.37Å; F725-L729 PolarHBondContact O-N 3.26Å; F725-F794 HydrophobicContact CB-CE1 4.05Å; F725-F794 HydrophobicContact CB-CZ 3.89Å; F725-F794 HydrophobicContact CD1-CE1 4.12Å; F725-F794 HydrophobicContact CD2-CE1 4.01Å; F725-F794 AromaticContact CG-CE1 3.78Å; F725-F794 HydrophobicContact CG-CE1 3.78Å; F725-F794 HydrophobicContact CG-CZ 4.16Å; F725-I797 HydrophobicContact CD1-CD1 4.21Å; F725-I797 HydrophobicContact CE1-CD1 4.31Å; F725-I797 HydrophobicContact CE1-CG2 3.85Å; F725-I797 HydrophobicContact CZ-CG2 4.3Å
726	G	91.3	Very high	88.5	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60	-38.2	175	0	0	0	0	0	113.3	I722 Y723 S724 Q730	I722-G726 PolarHBondContact O-N 2.85Å; Y723-G726 PolarHBondContact O-N 2.99Å; S724-G726 PolarHBondContact O-N 2.84Å; G726-Q730 PolarHBondContact O-N 3.42Å
727	I	91.2	Very high	88.2	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-68.7	-44.6	174.3	-56.3	-57.7	0	0	0	111.1	W701 Y723 S724 F725 L729 Q730 E731 V738 F739 P765 W784	W701-I727 HydrophobicContact CG-CG2 4.44Å; Y723-I727 HydrophobicContact CD1-CG1 4.29Å; Y723-I727 HydrophobicContact CE1-CD1 4.24Å; Y723-I727 HydrophobicContact CE1-CG1 3.89Å; Y723-I727 PolarHBondContact O-N 3.36Å; S724-I727 PolarHBondContact O-N 3.16Å; F725-I727 VanDerWaalsContact C-N 3.3Å; F725-I727 PolarHBondContact O-N 2.72Å; I727-L729 VanDerWaalsContact C-N 3.27Å; I727-L729 PolarHBondContact O-N 2.82Å; I727-Q730 VanDerWaalsContact O-CB 3.25Å; I727-Q730 WeakPolarHBondContact O-CB 3.48Å; I727-Q730 PolarHBondContact O-N 3.17Å; I727-Q730 VanDerWaalsContact O-N 3.09Å; I727-E731 PolarHBondContact O-N 3.44Å; I727-E731 VanDerWaalsContact O-N 3.12Å; I727-V738 HydrophobicContact CG2-CG1 4.16Å; I727-F739 HydrophobicContact CD1-CD2 3.71Å; I727-F739 HydrophobicContact CD1-CE2 3.83Å; I727-P765 HydrophobicContact CD1-CG 3.67Å; I727-W784 HydrophobicContact CD1-CE3 3.99Å
728	I	91.8	Very high	87.9	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62	-37.3	177.1	-65.5	166.1	0	0	0	111.2	L620 I643 L661 S724 F725 Q730 E731 I732	L620-I728 HydrophobicContact CD2-CG2 3.77Å; I643-I728 HydrophobicContact CD1-CG2 3.95Å; L661-I728 HydrophobicContact CD2-CD1 4.27Å; L661-I728 HydrophobicContact CG-CD1 3.84Å; S724-I728 WeakPolarHBondContact O-CG1 3Å; S724-I728 PolarHBondContact O-N 2.67Å; F725-I728 PolarHBondContact O-N 2.78Å; I728-Q730 PolarHBondContact O-N 3.25Å; I728-E731 WeakPolarHBondContact CA-OE1 3.48Å; I728-E731 WeakPolarHBondContact O-CB 3.42Å; I728-E731 PolarHBondContact O-N 2.65Å; I728-E731 VanDerWaalsContact O-N 3.13Å; I728-I732 HydrophobicContact CG2-CD1 4.04Å; I728-I732 HydrophobicContact CG2-CG1 4.43Å; I728-I732 WeakPolarHBondContact O-CG1 3.04Å; I728-I732 PolarHBondContact O-N 2.94Å
729	L	89.8	Confident	87.6	Confident	2 Å²	2	15.4 Å²	15.4	1%	0.01	10%	0.1	C	C	.	.	H	α-helix	trans	-63.3	-34	177.5	-170.4	55.4	0	0	0	111.7	T640 F725 I727 A733 L776 M780	T640-L729 HydrophobicContact CG2-CD1 3.71Å; F725-L729 HydrophobicContact CE1-CD2 4.25Å; F725-L729 WeakPolarHBondContact O-CB 3.37Å; F725-L729 PolarHBondContact O-N 3.26Å; I727-L729 VanDerWaalsContact C-N 3.27Å; I727-L729 PolarHBondContact O-N 2.82Å; L729-A733 VanDerWaalsContact O-CB 3.31Å; L729-A733 WeakPolarHBondContact O-CB 3.37Å; L729-A733 PolarHBondContact O-N 3.19Å; L729-L776 HydrophobicContact CD1-CD1 4.24Å; L729-L776 HydrophobicContact CD2-CD1 3.98Å; L729-L776 HydrophobicContact CD2-CG 4.43Å; L729-L776 HydrophobicContact CG-CD1 4.46Å; L729-M780 HydrophobicContact CB-CG 4.1Å; L729-M780 HydrophobicContact CD2-CG 3.41Å; L729-M780 VanDerWaalsContact CD2-CG 3.41Å; L729-M780 HydrophobicContact CD2-SD 4.41Å; L729-M780 HydrophobicContact CG-CG 3.64Å; L729-M780 HydrophobicContact CG-SD 4.08Å
730	Q	88.3	Confident	87.2	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65.3	-45.4	171.1	-167.9	-139.1	12.6	0	0	112	G726 I727 I728 I732 A733 L734 H740 P765 S766 M780 W784	G726-Q730 PolarHBondContact O-N 3.42Å; I727-Q730 VanDerWaalsContact O-CB 3.25Å; I727-Q730 WeakPolarHBondContact O-CB 3.48Å; I727-Q730 PolarHBondContact O-N 3.17Å; I727-Q730 VanDerWaalsContact O-N 3.09Å; I728-Q730 PolarHBondContact O-N 3.25Å; Q730-I732 VanDerWaalsContact C-N 3.29Å; Q730-I732 PolarHBondContact O-N 3.1Å; Q730-A733 PolarHBondContact O-N 3.05Å; Q730-A733 VanDerWaalsContact O-N 3.16Å; Q730-L734 HydrophobicContact CG-CD1 3.79Å; Q730-L734 HydrophobicContact CG-CG 4.26Å; Q730-L734 PolarHBondContact O-N 3.04Å; Q730-H740 PolarHBondContact NE2-O 2.87Å; Q730-P765 VanDerWaalsContact CD-CB 3.42Å; Q730-P765 HydrophobicContact CG-CB 4.27Å; Q730-S766 PolarHBondContact NE2-O 3.38Å; Q730-M780 HydrophobicContact CB-CE 3.51Å; Q730-M780 HydrophobicContact CG-CE 3.89Å; Q730-W784 HydrophobicContact CB-CZ3 4.16Å
731	E	88.9	Confident	86.8	Confident	7 Å²	7	18.1 Å²	18.1	3%	0.033	11%	0.109	C	C	.	.	H	α-helix	trans	-58	-43.4	178.1	-66.2	173.5	-107	0	0	111	L624 S663 W701 I727 I728 R735	L624-E731 HydrophobicContact CD1-CB 3.8Å; S663-E731 VanDerWaalsContact CB-OE2 3.27Å; S663-E731 WeakPolarHBondContact CB-OE2 2.97Å; S663-E731 PolarHBondContact OG-OE2 3.36Å; W701-E731 PolarHBondContact NE1-OE1 3.21Å; I727-E731 PolarHBondContact O-N 3.44Å; I727-E731 VanDerWaalsContact O-N 3.12Å; I728-E731 WeakPolarHBondContact CA-OE1 3.48Å; I728-E731 WeakPolarHBondContact O-CB 3.42Å; I728-E731 PolarHBondContact O-N 2.65Å; I728-E731 VanDerWaalsContact O-N 3.13Å; E731-R735 WeakPolarHBondContact O-CA 3.4Å; E731-R735 PolarHBondContact O-N 2.68Å
732	I	87.4	Confident	86	Confident	3 Å²	3	25.2 Å²	25.2	2%	0.015	14%	0.142	C	C	.	.	H	α-helix	trans	-65.9	-40.7	176.6	-64.5	170.8	0	0	0	111.5	L620 L624 R636 I643 I728 Q730	L620-I732 HydrophobicContact CD2-CD1 4.02Å; L620-I732 HydrophobicContact CD2-CG1 4.12Å; L624-I732 HydrophobicContact CD1-CG1 4.33Å; R636-I732 HydrophobicContact CB-CG2 3.66Å; R636-I732 HydrophobicContact CG-CG2 3.81Å; I643-I732 HydrophobicContact CD1-CD1 4.11Å; I728-I732 HydrophobicContact CG2-CD1 4.04Å; I728-I732 HydrophobicContact CG2-CG1 4.43Å; I728-I732 WeakPolarHBondContact O-CG1 3.04Å; I728-I732 PolarHBondContact O-N 2.94Å; Q730-I732 VanDerWaalsContact C-N 3.29Å; Q730-I732 PolarHBondContact O-N 3.1Å
733	A	82.9	Confident	84.9	Confident	17 Å²	17	28.6 Å²	28.6	14%	0.14	18%	0.179	C	C	.	.	H	α-helix	trans	-71.6	-46.4	-176.7	0	0	0	0	0	112.7	W633 R636 L729 Q730	W633-A733 HydrophobicContact CH2-CB 4.07Å; R636-A733 PolarHBondContact NH1-O 2.75Å; L729-A733 VanDerWaalsContact O-CB 3.31Å; L729-A733 WeakPolarHBondContact O-CB 3.37Å; L729-A733 PolarHBondContact O-N 3.19Å; Q730-A733 PolarHBondContact O-N 3.05Å; Q730-A733 VanDerWaalsContact O-N 3.16Å
734	L	80.5	Confident	84.1	Confident	43 Å²	43	32.6 Å²	32.6	23%	0.225	20%	0.2	C	C	.	.	H	α-helix	trans	-100.4	-20.4	-170	-58.9	-175.6	0	0	0	114.4	Q730 S736 A768	Q730-L734 HydrophobicContact CG-CD1 3.79Å; Q730-L734 HydrophobicContact CG-CG 4.26Å; Q730-L734 PolarHBondContact O-N 3.04Å; L734-S736 PolarHBondContact O-N 2.98Å; L734-S736 PolarHBondContact O-OG 3.31Å; L734-A768 HydrophobicContact CD2-CB 3.38Å
735	R	81.6	Confident	83.2	Confident	65 Å²	65	40.5 Å²	40.5	25%	0.245	24%	0.242	C	C	.	.			trans	48.3	27.4	-173.4	-58.5	-175.5	70.5	162.7	6.9	114.2	L624 N626 I629 E731	L624-R735 HydrophobicContact CD2-CG 4.25Å; L624-R735 PolarHBondContact O-NH2 3.15Å; N626-R735 PolarHBondContact O-NH2 3.35Å; I629-R735 PolarHBondContact O-NH1 2.8Å; I629-R735 PolarHBondContact O-NH2 2.77Å; I629-R735 VanDerWaalsContact O-NH2 3.11Å; E731-R735 WeakPolarHBondContact O-CA 3.4Å; E731-R735 PolarHBondContact O-N 2.68Å
736	S	73.1	Confident	82.6	Confident	61 Å²	61	42.9 Å²	42.9	43%	0.427	25%	0.254	S	S	.	.	S	Bend	trans	-109.1	24.7	-171.2	-60.3	0	0	0	0	112.9	L734 H740	L734-S736 PolarHBondContact O-N 2.98Å; L734-S736 PolarHBondContact O-OG 3.31Å; S736-H740 PolarHBondContact O-ND1 3.4Å
737	G	76.1	Confident	82.3	Confident	44 Å²	44	44.4 Å²	44.4	45%	0.454	27%	0.265	S	S	.	.			trans	83.5	176.8	-176.3	0	0	0	0	0	114.4
738	V	83.8	Confident	81.8	Confident	31 Å²	31	45.7 Å²	45.7	19%	0.188	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	130.2	-175.3	-171.3	0	0	0	0	110.8	L700 W701 I727 H740	L700-V738 HydrophobicContact CB-CG1 3.79Å; L700-V738 HydrophobicContact CD1-CB 4.22Å; L700-V738 HydrophobicContact CD1-CG1 3.98Å; W701-V738 HydrophobicContact CD2-CG1 4.06Å; W701-V738 VanDerWaalsContact CE2-CG1 3.47Å; W701-V738 HydrophobicContact CE3-CG1 4.46Å; W701-V738 HydrophobicContact CH2-CB 4.36Å; W701-V738 HydrophobicContact CH2-CG1 3.9Å; W701-V738 HydrophobicContact CH2-CG2 3.66Å; W701-V738 HydrophobicContact CZ2-CB 3.99Å; W701-V738 HydrophobicContact CZ2-CG1 3.43Å; W701-V738 VanDerWaalsContact CZ2-CG1 3.43Å; W701-V738 HydrophobicContact CZ2-CG2 3.27Å; W701-V738 HydrophobicContact CZ3-CG1 4.38Å; I727-V738 HydrophobicContact CG2-CG1 4.16Å; V738-H740 PolarHBondContact O-N 2.73Å
739	F	83.4	Confident	81.4	Confident	5 Å²	5	50.1 Å²	50.1	2%	0.022	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	48.6	177.8	-149.2	-74.9	0	0	0	112.1	I727 V741 I751 V755 F763 P765	I727-F739 HydrophobicContact CD1-CD2 3.71Å; I727-F739 HydrophobicContact CD1-CE2 3.83Å; F739-V741 HydrophobicContact CD1-CG2 4.35Å; F739-V741 HydrophobicContact CE1-CG2 4.45Å; F739-I751 HydrophobicContact CD1-CD1 4.48Å; F739-I751 HydrophobicContact CD1-CG2 3.54Å; F739-I751 HydrophobicContact CD2-CG2 4.33Å; F739-I751 HydrophobicContact CE1-CG2 3.73Å; F739-I751 HydrophobicContact CE2-CG2 4.47Å; F739-I751 HydrophobicContact CG-CG2 3.89Å; F739-I751 HydrophobicContact CZ-CG2 4.2Å; F739-V755 HydrophobicContact CE2-CG2 4.19Å; F739-V755 HydrophobicContact CZ-CG2 3.72Å; F739-F763 HydrophobicContact CE1-CD1 4.06Å; F739-F763 AromaticContact CE1-CE1 3.76Å; F739-F763 HydrophobicContact CE1-CE1 3.76Å; F739-F763 HydrophobicContact CE1-CZ 4.45Å; F739-F763 HydrophobicContact CZ-CD1 4.43Å; F739-P765 HydrophobicContact CD1-CB 4.42Å; F739-P765 HydrophobicContact CD1-CG 4Å; F739-P765 HydrophobicContact CD2-CG 3.77Å; F739-P765 HydrophobicContact CE1-CG 3.97Å; F739-P765 HydrophobicContact CE2-CG 3.76Å; F739-P765 HydrophobicContact CG-CG 3.88Å; F739-P765 HydrophobicContact CZ-CG 3.86Å
740	H	81.9	Confident	81.2	Confident	63 Å²	63	54.5 Å²	54.5	29%	0.292	31%	0.313	S	S	.	.			trans	-69.5	135	-178.7	-179	77.5	0	0	0	111.7	Q730 S736 V738 S766	Q730-H740 PolarHBondContact NE2-O 2.87Å; S736-H740 PolarHBondContact O-ND1 3.4Å; V738-H740 PolarHBondContact O-N 2.73Å; H740-S766 PolarHBondContact O-N 3.22Å
741	V	82.9	Confident	81	Confident	19 Å²	19	55 Å²	55	12%	0.115	32%	0.316	C	S	.	.			trans	-126.6	121.4	173.4	-176.9	0	0	0	0	108.8	F739 G743 L744 F763 S766	F739-V741 HydrophobicContact CD1-CG2 4.35Å; F739-V741 HydrophobicContact CE1-CG2 4.45Å; V741-G743 PolarHBondContact O-N 3.06Å; V741-L744 HydrophobicContact CB-CB 4.49Å; V741-L744 HydrophobicContact CG1-CB 4.28Å; V741-L744 HydrophobicContact CG1-CD1 3.98Å; V741-L744 PolarHBondContact O-N 2.93Å; V741-F763 HydrophobicContact CG2-CE2 4.38Å; V741-F763 HydrophobicContact CG2-CZ 3.91Å; V741-S766 WeakPolarHBondContact CA-OG 3.22Å
742	E	76.3	Confident	80.9	Confident	150 Å²	150	55.2 Å²	55.2	70%	0.701	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	124.4	-176.7	-169	176.4	-173.8	0	0	110.7	L744 S766	E742-L744 PolarHBondContact O-N 3.36Å; E742-S766 PolarHBondContact N-OG 3.18Å
743	G	70.8	Confident	80.8	Confident	80 Å²	80	58.2 Å²	58.2	83%	0.825	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	8.4	177	0	0	0	0	0	116.3	V741	V741-G743 PolarHBondContact O-N 3.06Å
744	L	77.6	Confident	81	Confident	86 Å²	86	60.7 Å²	60.7	45%	0.45	34%	0.336	S	S	.	.			trans	-134.2	113.4	179.3	-70.1	173.5	0	0	0	112.3	V741 E742 L746	V741-L744 HydrophobicContact CB-CB 4.49Å; V741-L744 HydrophobicContact CG1-CB 4.28Å; V741-L744 HydrophobicContact CG1-CD1 3.98Å; V741-L744 PolarHBondContact O-N 2.93Å; E742-L744 PolarHBondContact O-N 3.36Å; L744-L746 HydrophobicContact CB-CD1 4.4Å; L744-L746 HydrophobicContact CB-CG 4.24Å; L744-L746 PolarHBondContact O-N 3.34Å
745	D	74.4	Confident	81.3	Confident	174 Å²	174	58.8 Å²	58.8	93%	0.93	33%	0.326	S	S	*	.			trans	-88.7	89	170.6	-69.5	-27.4	0	0	0	110.1
746	L	81.3	Confident	81.5	Confident	50 Å²	50	57.8 Å²	57.8	26%	0.262	33%	0.328	S	S	.	.			trans	-100.4	142.6	-179.9	-64.2	170.8	0	0	0	111.5	L744 I751 F763	L744-L746 HydrophobicContact CB-CD1 4.4Å; L744-L746 HydrophobicContact CB-CG 4.24Å; L744-L746 PolarHBondContact O-N 3.34Å; L746-I751 HydrophobicContact CB-CD1 4.19Å; L746-I751 HydrophobicContact CB-CG1 3.74Å; L746-I751 HydrophobicContact CD1-CG1 4.34Å; L746-F763 HydrophobicContact CD1-CE1 4.2Å; L746-F763 HydrophobicContact CD1-CE2 4.37Å; L746-F763 HydrophobicContact CD1-CZ 3.54Å
747	S	83.8	Confident	82.1	Confident	33 Å²	33	63.2 Å²	63.2	23%	0.231	34%	0.339	C	S	.	.			trans	-69.6	149.9	171.2	66.9	0	0	0	0	110.9	K749 E750 I751	S747-K749 PolarHBondContact O-N 2.76Å; S747-E750 WeakPolarHBondContact CB-OE2 3.23Å; S747-E750 PolarHBondContact N-OE2 2.89Å; S747-E750 PolarHBondContact O-N 2.91Å; S747-E750 VanDerWaalsContact OG-CG 3.27Å; S747-E750 WeakPolarHBondContact OG-CG 3.4Å; S747-E750 PolarHBondContact OG-N 3.21Å; S747-E750 PolarHBondContact OG-OE2 3.34Å; S747-I751 WeakPolarHBondContact O-CG1 3.19Å; S747-I751 PolarHBondContact O-N 2.87Å
748	P	82.3	Confident	82.1	Confident	26 Å²	26	62.4 Å²	62.4	17%	0.169	33%	0.33	C	S	.	.	H	α-helix	trans	-53.2	-30.3	175.4	-28.4	35.2	0	0	0	113.8	H693 A697 L700 I752	H693-P748 VanDerWaalsContact CE1-CD 3.45Å; H693-P748 WeakPolarHBondContact CE1-CD 3.39Å; A697-P748 HydrophobicContact CB-CB 4.43Å; A697-P748 HydrophobicContact CB-CG 4.44Å; L700-P748 HydrophobicContact CD1-CB 4.31Å; L700-P748 HydrophobicContact CD2-CB 4.22Å; L700-P748 HydrophobicContact CG-CB 4.45Å; P748-I752 WeakPolarHBondContact O-CB 3.47Å; P748-I752 WeakPolarHBondContact O-CG1 3.29Å; P748-I752 PolarHBondContact O-N 2.8Å; P748-I752 VanDerWaalsContact O-N 3.12Å
749	K	83.1	Confident	82.1	Confident	94 Å²	94	64 Å²	64	41%	0.409	34%	0.336	S	S	.	.	H	α-helix	trans	-67.4	-47.5	176.2	-176.4	179.2	175.4	-170.6	0	111.6	Y696 S747 I751 I752 E753	Y696-K749 HydrophobicContact CD1-CB 4.25Å; Y696-K749 HydrophobicContact CD1-CG 4.16Å; Y696-K749 HydrophobicContact CD2-CB 4.13Å; Y696-K749 HydrophobicContact CD2-CG 4.21Å; Y696-K749 HydrophobicContact CE1-CG 3.97Å; Y696-K749 HydrophobicContact CE2-CB 4.45Å; Y696-K749 HydrophobicContact CE2-CD 4.12Å; Y696-K749 HydrophobicContact CE2-CG 4.03Å; Y696-K749 HydrophobicContact CG-CB 4.02Å; Y696-K749 HydrophobicContact CG-CG 4.27Å; S747-K749 PolarHBondContact O-N 2.76Å; K749-I751 VanDerWaalsContact C-N 3.35Å; K749-I752 PolarHBondContact O-N 3.05Å; K749-E753 WeakPolarHBondContact CE-OE1 3.42Å; K749-E753 WeakPolarHBondContact O-CG 3.42Å; K749-E753 PolarHBondContact O-N 3.46Å
750	E	84.4	Confident	81.6	Confident	93 Å²	93	73 Å²	73	44%	0.435	38%	0.378	S	S	.	.	H	α-helix	trans	-63.5	-41.8	178.4	-71.3	159.7	157.8	0	0	111.3	S747 I752 E753 R754	S747-E750 WeakPolarHBondContact CB-OE2 3.23Å; S747-E750 PolarHBondContact N-OE2 2.89Å; S747-E750 PolarHBondContact O-N 2.91Å; S747-E750 VanDerWaalsContact OG-CG 3.27Å; S747-E750 WeakPolarHBondContact OG-CG 3.4Å; S747-E750 PolarHBondContact OG-N 3.21Å; S747-E750 PolarHBondContact OG-OE2 3.34Å; E750-I752 PolarHBondContact O-N 3.26Å; E750-E753 PolarHBondContact O-N 3.26Å; E750-R754 VanDerWaalsContact O-CG 3.29Å; E750-R754 WeakPolarHBondContact O-CG 3.34Å; E750-R754 PolarHBondContact O-N 3.2Å
751	I	85.1	Confident	81.5	Confident	12 Å²	12	75.4 Å²	75.4	6%	0.062	40%	0.399	C	S	.	.	H	α-helix	trans	-57.2	-52.7	175.9	-65.4	171.7	0	0	0	110.2	L700 F739 L746 S747 K749 E753 R754 V755 F763	L700-I751 HydrophobicContact CD2-CB 4.16Å; L700-I751 HydrophobicContact CD2-CD1 4.32Å; L700-I751 HydrophobicContact CD2-CG2 3.82Å; F739-I751 HydrophobicContact CD1-CD1 4.48Å; F739-I751 HydrophobicContact CD1-CG2 3.54Å; F739-I751 HydrophobicContact CD2-CG2 4.33Å; F739-I751 HydrophobicContact CE1-CG2 3.73Å; F739-I751 HydrophobicContact CE2-CG2 4.47Å; F739-I751 HydrophobicContact CG-CG2 3.89Å; F739-I751 HydrophobicContact CZ-CG2 4.2Å; L746-I751 HydrophobicContact CB-CD1 4.19Å; L746-I751 HydrophobicContact CB-CG1 3.74Å; L746-I751 HydrophobicContact CD1-CG1 4.34Å; S747-I751 WeakPolarHBondContact O-CG1 3.19Å; S747-I751 PolarHBondContact O-N 2.87Å; K749-I751 VanDerWaalsContact C-N 3.35Å; I751-E753 PolarHBondContact O-N 3.46Å; I751-R754 PolarHBondContact O-N 3.45Å; I751-V755 HydrophobicContact CG2-CG2 4.47Å; I751-V755 WeakPolarHBondContact O-CG2 3.39Å; I751-V755 PolarHBondContact O-N 3.39Å; I751-F763 HydrophobicContact CG1-CE1 4.42Å; I751-F763 HydrophobicContact CG2-CE1 4.23Å
752	I	85.6	Confident	81.6	Confident	11 Å²	11	76.9 Å²	76.9	6%	0.056	41%	0.41	C	S	.	.	H	α-helix	trans	-63.2	-41.1	-178.8	-68.5	-66	0	0	0	111.8	Y696 K699 L700 L707 P748 K749 E750 R754 V755 T756	Y696-I752 HydrophobicContact CD1-CB 4.16Å; Y696-I752 HydrophobicContact CD1-CG1 4.46Å; Y696-I752 HydrophobicContact CD1-CG2 4.14Å; K699-I752 HydrophobicContact CB-CD1 3.88Å; K699-I752 HydrophobicContact CB-CG1 4.33Å; K699-I752 WeakPolarHBondContact O-CD1 3.33Å; L700-I752 HydrophobicContact CD2-CD1 4.31Å; L700-I752 HydrophobicContact CD2-CG1 4.28Å; L707-I752 HydrophobicContact CD1-CD1 3.99Å; L707-I752 HydrophobicContact CD1-CG2 4.35Å; L707-I752 HydrophobicContact CD2-CG2 4.44Å; P748-I752 WeakPolarHBondContact O-CB 3.47Å; P748-I752 WeakPolarHBondContact O-CG1 3.29Å; P748-I752 PolarHBondContact O-N 2.8Å; P748-I752 VanDerWaalsContact O-N 3.12Å; K749-I752 PolarHBondContact O-N 3.05Å; E750-I752 PolarHBondContact O-N 3.26Å; I752-R754 PolarHBondContact O-N 3.35Å; I752-V755 PolarHBondContact O-N 3.34Å; I752-T756 VanDerWaalsContact O-CB 3.27Å; I752-T756 WeakPolarHBondContact O-CB 3.34Å; I752-T756 PolarHBondContact O-N 2.97Å; I752-T756 PolarHBondContact O-OG1 3.33Å
753	E	85.9	Confident	82.1	Confident	66 Å²	66	70.6 Å²	70.6	31%	0.308	38%	0.38	S	S	.	.	H	α-helix	trans	-62.2	-42.7	177	-76.4	-175.2	-161.4	0	0	112	K749 E750 I751 T756 R757	K749-E753 WeakPolarHBondContact CE-OE1 3.42Å; K749-E753 WeakPolarHBondContact O-CG 3.42Å; K749-E753 PolarHBondContact O-N 3.46Å; E750-E753 PolarHBondContact O-N 3.26Å; I751-E753 PolarHBondContact O-N 3.46Å; E753-T756 PolarHBondContact O-N 3.08Å; E753-R757 WeakPolarHBondContact O-CB 3.49Å; E753-R757 VanDerWaalsContact O-CG 3.24Å; E753-R757 WeakPolarHBondContact O-CG 3.41Å; E753-R757 PolarHBondContact O-N 3.3Å; E753-R757 IonicContact OE2-NH2 3.53Å; E753-R757 PolarHBondContact OE2-NH2 3.41Å
754	R	87.1	Confident	82.8	Confident	68 Å²	68	68.6 Å²	68.6	26%	0.257	35%	0.347	S	S	.	.	H	α-helix	trans	-66.8	-42.8	178	-69.1	-175.2	70	-171.3	-3.9	112.6	E750 I751 I752 T756 R757 G758 E759 F763	E750-R754 VanDerWaalsContact O-CG 3.29Å; E750-R754 WeakPolarHBondContact O-CG 3.34Å; E750-R754 PolarHBondContact O-N 3.2Å; I751-R754 PolarHBondContact O-N 3.45Å; I752-R754 PolarHBondContact O-N 3.35Å; R754-T756 VanDerWaalsContact C-N 3.32Å; R754-T756 PolarHBondContact O-N 3.45Å; R754-R757 PolarHBondContact O-N 3.4Å; R754-G758 PolarHBondContact O-N 3.03Å; R754-E759 WeakPolarHBondContact CG-OE1 3.34Å; R754-E759 IonicContact CZ-OE1 3.66Å; R754-E759 IonicContact CZ-OE2 3.74Å; R754-E759 IonicContact NE-OE1 3.02Å; R754-E759 PolarHBondContact NE-OE1 2.85Å; R754-E759 IonicContact NE-OE2 2.77Å; R754-E759 PolarHBondContact NE-OE2 3.44Å; R754-E759 IonicContact NH2-OE1 2.77Å; R754-E759 IonicContact NH2-OE2 3.41Å; R754-E759 PolarHBondContact NH2-OE2 3.26Å; R754-F763 HydrophobicContact CB-CB 4.26Å; R754-F763 HydrophobicContact CB-CD1 3.75Å; R754-F763 HydrophobicContact CB-CE1 4.36Å; R754-F763 HydrophobicContact CB-CG 4.07Å; R754-F763 VanDerWaalsContact CZ-CD2 3.46Å; R754-F763 VanDerWaalsContact NH1-CE2 3.28Å
755	V	86.2	Confident	83.2	Confident	3 Å²	3	64.8 Å²	64.8	2%	0.018	33%	0.328	C	S	.	.	H	α-helix	trans	-62.1	-41.6	173.8	174.3	0	0	0	0	110.8	P704 L707 R708 F739 I751 I752 R757 G758 F763	P704-V755 HydrophobicContact CB-CG1 3.9Å; L707-V755 HydrophobicContact CD1-CG1 4.28Å; R708-V755 PolarHBondContact NH2-O 2.92Å; R708-V755 VanDerWaalsContact NH2-O 3.14Å; F739-V755 HydrophobicContact CE2-CG2 4.19Å; F739-V755 HydrophobicContact CZ-CG2 3.72Å; I751-V755 HydrophobicContact CG2-CG2 4.47Å; I751-V755 WeakPolarHBondContact O-CG2 3.39Å; I751-V755 PolarHBondContact O-N 3.39Å; I752-V755 PolarHBondContact O-N 3.34Å; V755-R757 PolarHBondContact O-N 2.9Å; V755-G758 PolarHBondContact O-N 2.95Å; V755-F763 HydrophobicContact CG2-CD1 4.02Å
756	T	86.1	Confident	83.5	Confident	45 Å²	45	57.8 Å²	57.8	28%	0.276	29%	0.293	S	S	.	.	H	α-helix	trans	-66.5	-38	179.6	-54.7	0	0	0	0	111.7	R708 I752 E753 R754 G758	R708-T756 HydrophobicContact CG-CG2 3.98Å; R708-T756 PolarHBondContact NE-O 3.02Å; I752-T756 VanDerWaalsContact O-CB 3.27Å; I752-T756 WeakPolarHBondContact O-CB 3.34Å; I752-T756 PolarHBondContact O-N 2.97Å; I752-T756 PolarHBondContact O-OG1 3.33Å; E753-T756 PolarHBondContact O-N 3.08Å; R754-T756 VanDerWaalsContact C-N 3.32Å; R754-T756 PolarHBondContact O-N 3.45Å; T756-G758 VanDerWaalsContact C-N 3.27Å; T756-G758 PolarHBondContact O-N 3.12Å
757	R	85.3	Confident	83.2	Confident	174 Å²	174	57.5 Å²	57.5	66%	0.657	29%	0.291	S	S	*	.	H	α-helix	trans	-66.6	-23.5	178.6	-75.1	173.1	-163.2	-179.3	9.3	113.9	E753 R754 V755	E753-R757 WeakPolarHBondContact O-CB 3.49Å; E753-R757 VanDerWaalsContact O-CG 3.24Å; E753-R757 WeakPolarHBondContact O-CG 3.41Å; E753-R757 PolarHBondContact O-N 3.3Å; E753-R757 IonicContact OE2-NH2 3.53Å; E753-R757 PolarHBondContact OE2-NH2 3.41Å; R754-R757 PolarHBondContact O-N 3.4Å; V755-R757 PolarHBondContact O-N 2.9Å
758	G	77.3	Confident	82	Confident	27 Å²	27	58.2 Å²	58.2	28%	0.278	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	52.7	177.6	0	0	0	0	0	113	R708 R754 V755 T756	R708-G758 VanDerWaalsContact NH2-CA 3.27Å; R754-G758 PolarHBondContact O-N 3.03Å; V755-G758 PolarHBondContact O-N 2.95Å; T756-G758 VanDerWaalsContact C-N 3.27Å; T756-G758 PolarHBondContact O-N 3.12Å
759	E	82.4	Confident	80.6	Confident	64 Å²	64	63.5 Å²	63.5	30%	0.299	33%	0.325	S	S	.	.			trans	-54	156.4	175.7	-64	174.8	-170.4	0	0	112	R754 P761 P762	R754-E759 WeakPolarHBondContact CG-OE1 3.34Å; R754-E759 IonicContact CZ-OE1 3.66Å; R754-E759 IonicContact CZ-OE2 3.74Å; R754-E759 IonicContact NE-OE1 3.02Å; R754-E759 PolarHBondContact NE-OE1 2.85Å; R754-E759 IonicContact NE-OE2 2.77Å; R754-E759 PolarHBondContact NE-OE2 3.44Å; R754-E759 IonicContact NH2-OE1 2.77Å; R754-E759 IonicContact NH2-OE2 3.41Å; R754-E759 PolarHBondContact NH2-OE2 3.26Å; E759-P761 CarbonylContact C-O 3.19Å; E759-P761 CarbonylContact O-C 3.42Å; E759-P762 WeakPolarHBondContact O-CA 3.41Å
760	Q	73.9	Confident	79.2	Confident	194 Å²	194	65.5 Å²	65.5	91%	0.907	34%	0.336	S	S	*	.	S	Bend	trans	-117.2	116.6	171.3	-70.2	-147.9	2.4	0	0	110.5
761	P	80.3	Confident	77.6	Confident	114 Å²	114	66 Å²	66	74%	0.74	35%	0.35	S	S	*	.	S	Bend	cis	-66.6	154.6	-3	29.5	-35.3	0	0	0	112.8	E759 F763	E759-P761 CarbonylContact C-O 3.19Å; E759-P761 CarbonylContact O-C 3.42Å; P761-F763 PolarHBondContact O-N 3Å
762	P	83.7	Confident	76.1	Confident	51 Å²	51	73.7 Å²	73.7	33%	0.331	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-54.9	132.4	-179.9	-25.6	33.6	0	0	0	112.2	E759 R764 E786	E759-P762 WeakPolarHBondContact O-CA 3.41Å; P762-R764 VanDerWaalsContact CB-NH1 3.33Å; P762-R764 PolarHBondContact O-N 3.03Å; P762-E786 HydrophobicContact CG-CB 4.09Å; P762-E786 HydrophobicContact CG-CG 4.35Å
763	F	87.3	Confident	75	Confident	18 Å²	18	74.2 Å²	74.2	8%	0.079	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-65.3	119.9	176.8	-172.7	-115.8	0	0	0	109.9	F739 V741 L746 I751 R754 V755 P761	F739-F763 HydrophobicContact CE1-CD1 4.06Å; F739-F763 AromaticContact CE1-CE1 3.76Å; F739-F763 HydrophobicContact CE1-CE1 3.76Å; F739-F763 HydrophobicContact CE1-CZ 4.45Å; F739-F763 HydrophobicContact CZ-CD1 4.43Å; V741-F763 HydrophobicContact CG2-CE2 4.38Å; V741-F763 HydrophobicContact CG2-CZ 3.91Å; L746-F763 HydrophobicContact CD1-CE1 4.2Å; L746-F763 HydrophobicContact CD1-CE2 4.37Å; L746-F763 HydrophobicContact CD1-CZ 3.54Å; I751-F763 HydrophobicContact CG1-CE1 4.42Å; I751-F763 HydrophobicContact CG2-CE1 4.23Å; R754-F763 HydrophobicContact CB-CB 4.26Å; R754-F763 HydrophobicContact CB-CD1 3.75Å; R754-F763 HydrophobicContact CB-CE1 4.36Å; R754-F763 HydrophobicContact CB-CG 4.07Å; R754-F763 VanDerWaalsContact CZ-CD2 3.46Å; R754-F763 VanDerWaalsContact NH1-CE2 3.28Å; V755-F763 HydrophobicContact CG2-CD1 4.02Å; P761-F763 PolarHBondContact O-N 3Å
764	R	86.8	Confident	74.3	Confident	37 Å²	37	77.4 Å²	77.4	14%	0.14	40%	0.403	C	S	.	.			trans	-141.2	159.4	-173.6	-70.5	-59.6	-176.8	-80.8	-3.1	111.5	P762 W784 E786	P762-R764 VanDerWaalsContact CB-NH1 3.33Å; P762-R764 PolarHBondContact O-N 3.03Å; R764-W784 PolarHBondContact NE-O 3.35Å; R764-W784 PolarHBondContact NH2-O 3.25Å; R764-E786 IonicContact CZ-OE2 3.64Å; R764-E786 IonicContact NH1-OE2 2.8Å; R764-E786 PolarHBondContact NH1-OE2 3.01Å; R764-E786 IonicContact NH2-OE2 3.66Å; R764-E786 PolarHBondContact NH2-OE2 2.91Å
765	P	84.6	Confident	73.6	Confident	6 Å²	6	79.4 Å²	79.4	4%	0.039	42%	0.415	C	S	.	.			trans	-63.9	155.8	177	-14.5	28.2	0	0	0	112.3	I727 Q730 F739 W784	I727-P765 HydrophobicContact CD1-CG 3.67Å; Q730-P765 VanDerWaalsContact CD-CB 3.42Å; Q730-P765 HydrophobicContact CG-CB 4.27Å; F739-P765 HydrophobicContact CD1-CB 4.42Å; F739-P765 HydrophobicContact CD1-CG 4Å; F739-P765 HydrophobicContact CD2-CG 3.77Å; F739-P765 HydrophobicContact CE1-CG 3.97Å; F739-P765 HydrophobicContact CE2-CG 3.76Å; F739-P765 HydrophobicContact CG-CG 3.88Å; F739-P765 HydrophobicContact CZ-CG 3.86Å; P765-W784 HydrophobicContact CB-CH2 4.14Å; P765-W784 HydrophobicContact CB-CZ3 4.12Å; P765-W784 HydrophobicContact CG-CE3 4.13Å; P765-W784 HydrophobicContact CG-CH2 4.19Å; P765-W784 HydrophobicContact CG-CZ3 3.77Å
766	S	81.1	Confident	73.2	Confident	28 Å²	28	79.6 Å²	79.6	20%	0.196	42%	0.416	C	S	.	.			trans	-69.3	148.4	177.2	-73.9	0	0	0	0	112.3	Q730 H740 V741 E742	Q730-S766 PolarHBondContact NE2-O 3.38Å; H740-S766 PolarHBondContact O-N 3.22Å; V741-S766 WeakPolarHBondContact CA-OG 3.22Å; E742-S766 PolarHBondContact N-OG 3.18Å
767	L	74.3	Confident	72.8	Confident	43 Å²	43	78.1 Å²	78.1	23%	0.225	41%	0.41	C	S	.	.			trans	-111.1	126.9	176.1	-68	163.3	0	0	0	109	L769 M780 Q781 W784	L767-L769 HydrophobicContact CB-CD1 4.4Å; L767-L769 PolarHBondContact O-N 3.36Å; L767-M780 HydrophobicContact CD2-CB 4.33Å; L767-M780 HydrophobicContact CD2-CE 4.02Å; L767-M780 HydrophobicContact CD2-SD 4.41Å; L767-Q781 HydrophobicContact CD1-CG 3.58Å; L767-W784 HydrophobicContact CD1-CZ2 4.37Å; L767-W784 HydrophobicContact CD2-CH2 3.77Å; L767-W784 HydrophobicContact CD2-CZ2 3.69Å; L767-W784 HydrophobicContact CG-CH2 4.37Å; L767-W784 HydrophobicContact CG-CZ2 4.05Å
768	A	58.4	Low	72.8	Confident	49 Å²	49	74.7 Å²	74.7	41%	0.405	40%	0.404	S	S	.	.			trans	-82.2	104.9	168.8	0	0	0	0	0	109.5	L734 Q770	L734-A768 HydrophobicContact CD2-CB 3.38Å; A768-Q770 VanDerWaalsContact C-N 3.34Å; A768-Q770 PolarHBondContact O-N 2.88Å; A768-Q770 VanDerWaalsContact O-N 3.08Å
769	L	53.5	Low	73.2	Confident	137 Å²	137	73.7 Å²	73.7	72%	0.717	39%	0.392	S	S	*	.			trans	-78.4	84.1	168.4	-90.1	89.3	0	0	0	109.7	L767	L767-L769 HydrophobicContact CB-CD1 4.4Å; L767-L769 PolarHBondContact O-N 3.36Å
770	Q	55	Low	73.5	Confident	135 Å²	135	71 Å²	71	63%	0.631	38%	0.38	S	S	*	.			trans	-99.2	144.5	154.1	-71.8	-178.7	-9.2	0	0	108.5	A768 H772 L773	A768-Q770 VanDerWaalsContact C-N 3.34Å; A768-Q770 PolarHBondContact O-N 2.88Å; A768-Q770 VanDerWaalsContact O-N 3.08Å; Q770-H772 PolarHBondContact O-N 3.03Å; Q770-L773 HydrophobicContact CB-CD1 4.48Å; Q770-L773 PolarHBondContact O-N 2.71Å
771	S	50.3	Low	74.1	Confident	105 Å²	105	66 Å²	66	73%	0.734	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-20.7	-170.9	44.1	0	0	0	0	116.1
772	H	54.2	Low	74.5	Confident	172 Å²	172	65.5 Å²	65.5	80%	0.796	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-3.6	177.9	-68	-72.6	0	0	0	114.6	Q770	Q770-H772 PolarHBondContact O-N 3.03Å
773	L	62	Low	74.8	Confident	22 Å²	22	63 Å²	63	12%	0.115	32%	0.324	C	S	.	.	S	Bend	trans	-122.3	5.1	-170.1	-72.5	159.3	0	0	0	114.3	W633 Q770 E775 L776 G777	W633-L773 HydrophobicContact CD2-CD2 4.45Å; W633-L773 HydrophobicContact CE3-CD2 4.22Å; W633-L773 HydrophobicContact CH2-CD1 3.95Å; W633-L773 HydrophobicContact CH2-CD2 3.11Å; W633-L773 HydrophobicContact CH2-CG 4.13Å; W633-L773 HydrophobicContact CZ2-CD1 3.41Å; W633-L773 VanDerWaalsContact CZ2-CD1 3.41Å; W633-L773 HydrophobicContact CZ2-CD2 3.37Å; W633-L773 HydrophobicContact CZ2-CG 3.92Å; W633-L773 HydrophobicContact CZ3-CD2 3.57Å; Q770-L773 HydrophobicContact CB-CD1 4.48Å; Q770-L773 PolarHBondContact O-N 2.71Å; L773-E775 VanDerWaalsContact C-N 3.3Å; L773-E775 PolarHBondContact O-N 2.98Å; L773-L776 HydrophobicContact CD2-CB 4.24Å; L773-L776 HydrophobicContact CD2-CD2 3.7Å; L773-L776 PolarHBondContact O-N 2.05Å; L773-G777 PolarHBondContact O-N 3.41Å
774	E	69.8	Low	75	Confident	134 Å²	134	62.8 Å²	62.8	63%	0.626	32%	0.322	S	S	*	.	H	α-helix	trans	-60.9	-40.2	-174.7	-165.1	168.4	-171.4	0	0	112	G777 L778	E774-G777 PolarHBondContact O-N 3.19Å; E774-L778 PolarHBondContact O-N 3.03Å
775	E	72.8	Confident	75.1	Confident	109 Å²	109	61.6 Å²	61.6	51%	0.509	32%	0.32	S	S	.	.	H	α-helix	trans	-73.7	-33.2	178.3	-52.7	-167.7	137.4	0	0	113.3	L773 L778 L779 F804	L773-E775 VanDerWaalsContact C-N 3.3Å; L773-E775 PolarHBondContact O-N 2.98Å; E775-L778 PolarHBondContact O-N 3.06Å; E775-L779 PolarHBondContact O-N 3.31Å; E775-L779 VanDerWaalsContact O-N 3.08Å; E775-F804 HydrophobicContact CB-CD1 4.08Å; E775-F804 HydrophobicContact CB-CE1 3.36Å; E775-F804 HydrophobicContact CB-CE2 4.46Å; E775-F804 HydrophobicContact CB-CZ 3.57Å; E775-F804 HydrophobicContact CG-CE1 4.14Å; E775-F804 WeakPolarHBondContact OE2-CD1 3.43Å; E775-F804 WeakPolarHBondContact OE2-CE1 3.44Å
776	L	77.2	Confident	75.2	Confident	7 Å²	7	63.8 Å²	63.8	4%	0.037	33%	0.33	C	S	.	.	H	α-helix	trans	-68.8	-39.6	172.6	-169.5	68.6	0	0	0	110.5	W633 L729 L773 L778 L779 M780 L801	W633-L776 HydrophobicContact CH2-CD2 4.15Å; W633-L776 HydrophobicContact CZ3-CD2 3.81Å; L729-L776 HydrophobicContact CD1-CD1 4.24Å; L729-L776 HydrophobicContact CD2-CD1 3.98Å; L729-L776 HydrophobicContact CD2-CG 4.43Å; L729-L776 HydrophobicContact CG-CD1 4.46Å; L773-L776 HydrophobicContact CD2-CB 4.24Å; L773-L776 HydrophobicContact CD2-CD2 3.7Å; L773-L776 PolarHBondContact O-N 2.05Å; L776-L778 VanDerWaalsContact C-N 3.35Å; L776-L778 PolarHBondContact O-N 3.26Å; L776-L779 HydrophobicContact CD1-CD2 4.42Å; L776-L779 WeakPolarHBondContact O-CB 3.34Å; L776-L779 PolarHBondContact O-N 3.49Å; L776-M780 VanDerWaalsContact O-CG 3.28Å; L776-M780 WeakPolarHBondContact O-CG 3.44Å; L776-M780 PolarHBondContact O-N 3.48Å; L776-L801 HydrophobicContact CD1-CD2 4.24Å
777	G	79.4	Confident	75.5	Confident	14 Å²	14	66 Å²	66	14%	0.144	34%	0.34	C	S	.	.	H	α-helix	trans	-61	-41.2	173.4	0	0	0	0	0	112.3	L773 E774 M780 Q781	L773-G777 PolarHBondContact O-N 3.41Å; E774-G777 PolarHBondContact O-N 3.19Å; G777-M780 WeakPolarHBondContact O-CB 3.15Å; G777-M780 PolarHBondContact O-N 3.2Å; G777-Q781 WeakPolarHBondContact O-CG 3.46Å; G777-Q781 PolarHBondContact O-N 2.87Å
778	L	84.2	Confident	76.2	Confident	102 Å²	102	65.9 Å²	65.9	53%	0.534	34%	0.342	S	S	.	.	H	α-helix	trans	-64.3	-40.3	174.1	-173.4	67.8	0	0	0	111.8	E774 E775 L776 Q781 R782	E774-L778 PolarHBondContact O-N 3.03Å; E775-L778 PolarHBondContact O-N 3.06Å; L776-L778 VanDerWaalsContact C-N 3.35Å; L776-L778 PolarHBondContact O-N 3.26Å; L778-Q781 PolarHBondContact O-N 2.9Å; L778-R782 WeakPolarHBondContact O-CG 3.39Å; L778-R782 PolarHBondContact O-N 3.34Å; L778-R782 VanDerWaalsContact O-N 3.08Å
779	L	86.4	Confident	77.6	Confident	6 Å²	6	71.8 Å²	71.8	3%	0.031	36%	0.361	C	S	.	.	H	α-helix	trans	-62.8	-44.1	174.5	-179.9	63.4	0	0	0	111.4	E775 L776 Q781 R782 C783 I797 T800 L801 F804	E775-L779 PolarHBondContact O-N 3.31Å; E775-L779 VanDerWaalsContact O-N 3.08Å; L776-L779 HydrophobicContact CD1-CD2 4.42Å; L776-L779 WeakPolarHBondContact O-CB 3.34Å; L776-L779 PolarHBondContact O-N 3.49Å; L779-Q781 VanDerWaalsContact C-N 3.34Å; L779-Q781 PolarHBondContact O-N 3.02Å; L779-R782 PolarHBondContact O-N 3.19Å; L779-C783 PolarHBondContact O-N 3.06Å; L779-C783 PolarHBondContact O-SG 3.16Å; L779-I797 HydrophobicContact CD1-CG1 4.33Å; L779-I797 HydrophobicContact CD2-CG2 4.29Å; L779-T800 HydrophobicContact CD1-CG2 4.27Å; L779-T800 HydrophobicContact CD2-CG2 4.46Å; L779-L801 HydrophobicContact CD2-CD2 3.84Å; L779-L801 HydrophobicContact CD2-CG 4.15Å; L779-F804 HydrophobicContact CD2-CE2 4.2Å
780	M	87.8	Confident	79.3	Confident	8 Å²	8	71.3 Å²	71.3	4%	0.039	36%	0.355	C	S	.	.	H	α-helix	trans	-58.3	-46.5	175.1	-70.4	168.7	63.7	0	0	111.2	L729 Q730 L767 L776 G777 R782 C783 W784	L729-M780 HydrophobicContact CB-CG 4.1Å; L729-M780 HydrophobicContact CD2-CG 3.41Å; L729-M780 VanDerWaalsContact CD2-CG 3.41Å; L729-M780 HydrophobicContact CD2-SD 4.41Å; L729-M780 HydrophobicContact CG-CG 3.64Å; L729-M780 HydrophobicContact CG-SD 4.08Å; Q730-M780 HydrophobicContact CB-CE 3.51Å; Q730-M780 HydrophobicContact CG-CE 3.89Å; L767-M780 HydrophobicContact CD2-CB 4.33Å; L767-M780 HydrophobicContact CD2-CE 4.02Å; L767-M780 HydrophobicContact CD2-SD 4.41Å; L776-M780 VanDerWaalsContact O-CG 3.28Å; L776-M780 WeakPolarHBondContact O-CG 3.44Å; L776-M780 PolarHBondContact O-N 3.48Å; G777-M780 WeakPolarHBondContact O-CB 3.15Å; G777-M780 PolarHBondContact O-N 3.2Å; M780-R782 VanDerWaalsContact C-N 3.31Å; M780-R782 PolarHBondContact O-N 3.36Å; M780-C783 PolarHBondContact O-N 3.05Å; M780-C783 VanDerWaalsContact O-N 3.1Å; M780-W784 HydrophobicContact CB-CH2 4.19Å; M780-W784 HydrophobicContact CB-CZ2 4.36Å; M780-W784 HydrophobicContact CB-CZ3 4.38Å; M780-W784 HydrophobicContact CE-CH2 3.69Å; M780-W784 HydrophobicContact CE-CZ3 3.87Å; M780-W784 PolarHBondContact O-N 2.95Å
781	Q	87.5	Confident	81.1	Confident	90 Å²	90	65.3 Å²	65.3	42%	0.421	33%	0.327	S	S	.	.	H	α-helix	trans	-57.1	-43.2	177.6	-76.1	-179.9	-0.9	0	0	113.1	L767 G777 L778 L779 A785	L767-Q781 HydrophobicContact CD1-CG 3.58Å; G777-Q781 WeakPolarHBondContact O-CG 3.46Å; G777-Q781 PolarHBondContact O-N 2.87Å; L778-Q781 PolarHBondContact O-N 2.9Å; L779-Q781 VanDerWaalsContact C-N 3.34Å; L779-Q781 PolarHBondContact O-N 3.02Å; Q781-A785 PolarHBondContact O-N 2.89Å
782	R	89.3	Confident	83.1	Confident	102 Å²	102	60.5 Å²	60.5	39%	0.385	29%	0.293	S	S	.	.	H	α-helix	trans	-69.6	-33.5	177.1	-68.9	-178.1	65.5	-169.4	-2.7	112.7	L778 L779 M780 R791 P792	L778-R782 WeakPolarHBondContact O-CG 3.39Å; L778-R782 PolarHBondContact O-N 3.34Å; L778-R782 VanDerWaalsContact O-N 3.08Å; L779-R782 PolarHBondContact O-N 3.19Å; M780-R782 VanDerWaalsContact C-N 3.31Å; M780-R782 PolarHBondContact O-N 3.36Å; R782-R791 WeakPolarHBondContact O-CA 3.41Å; R782-P792 HydrophobicContact CB-CG 4.28Å; R782-P792 WeakPolarHBondContact O-CD 3.41Å
783	C	89.9	Confident	84.9	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-69	-34.1	179.7	-68.3	0	0	0	0	112.4	I722 Y723 L779 M780 R791	I722-C783 HydrophobicContact CG2-CB 4.13Å; Y723-C783 WeakPolarHBondContact CA-O 3.42Å; L779-C783 PolarHBondContact O-N 3.06Å; L779-C783 PolarHBondContact O-SG 3.16Å; M780-C783 PolarHBondContact O-N 3.05Å; M780-C783 VanDerWaalsContact O-N 3.1Å; C783-R791 WeakPolarHBondContact O-CD 3.43Å
784	W	90.1	Very high	86.3	Confident	12 Å²	12	54.8 Å²	54.8	5%	0.045	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	22.5	178.2	62.9	39.5	0	0	0	114.5	Y723 I727 Q730 R764 P765 L767 M780	Y723-W784 HydrophobicContact CD2-CB 3.81Å; Y723-W784 HydrophobicContact CE2-CB 3.75Å; I727-W784 HydrophobicContact CD1-CE3 3.99Å; Q730-W784 HydrophobicContact CB-CZ3 4.16Å; R764-W784 PolarHBondContact NE-O 3.35Å; R764-W784 PolarHBondContact NH2-O 3.25Å; P765-W784 HydrophobicContact CB-CH2 4.14Å; P765-W784 HydrophobicContact CB-CZ3 4.12Å; P765-W784 HydrophobicContact CG-CE3 4.13Å; P765-W784 HydrophobicContact CG-CH2 4.19Å; P765-W784 HydrophobicContact CG-CZ3 3.77Å; L767-W784 HydrophobicContact CD1-CZ2 4.37Å; L767-W784 HydrophobicContact CD2-CH2 3.77Å; L767-W784 HydrophobicContact CD2-CZ2 3.69Å; L767-W784 HydrophobicContact CG-CH2 4.37Å; L767-W784 HydrophobicContact CG-CZ2 4.05Å; M780-W784 HydrophobicContact CB-CH2 4.19Å; M780-W784 HydrophobicContact CB-CZ2 4.36Å; M780-W784 HydrophobicContact CB-CZ3 4.38Å; M780-W784 HydrophobicContact CE-CH2 3.69Å; M780-W784 HydrophobicContact CE-CZ3 3.87Å; M780-W784 PolarHBondContact O-N 2.95Å
785	A	88.9	Confident	87.3	Confident	12 Å²	12	53.6 Å²	53.6	10%	0.099	27%	0.266	C	S	.	.			trans	-53.5	146.3	177.2	0	0	0	0	0	111.9	Q781 E790 R791	Q781-A785 PolarHBondContact O-N 2.89Å; A785-E790 HydrophobicContact CB-CB 3.97Å; A785-R791 HydrophobicContact CB-CG 4.08Å; A785-R791 PolarHBondContact O-NE 3.49Å; A785-R791 PolarHBondContact O-NH2 2.87Å
786	E	87.3	Confident	88.1	Confident	53 Å²	53	52.2 Å²	52.2	25%	0.248	26%	0.26	C	S	.	.	S	Bend	trans	-65.4	-42.1	-179	-173.2	66.2	-159.5	0	0	111.4	R708 P762 R764 P788	R708-E786 IonicContact CZ-OE1 3.45Å; R708-E786 IonicContact NH1-OE1 3.02Å; R708-E786 PolarHBondContact NH1-OE1 3.18Å; R708-E786 IonicContact NH2-OE1 2.77Å; R708-E786 PolarHBondContact NH2-OE1 2.79Å; P762-E786 HydrophobicContact CG-CB 4.09Å; P762-E786 HydrophobicContact CG-CG 4.35Å; R764-E786 IonicContact CZ-OE2 3.64Å; R764-E786 IonicContact NH1-OE2 2.8Å; R764-E786 PolarHBondContact NH1-OE2 3.01Å; R764-E786 IonicContact NH2-OE2 3.66Å; R764-E786 PolarHBondContact NH2-OE2 2.91Å; E786-P788 WeakPolarHBondContact O-CD 3.34Å
787	D	87.7	Confident	88.7	Confident	75 Å²	75	51.9 Å²	51.9	40%	0.401	26%	0.258	S	S	.	.	S	Bend	trans	-79.6	122.8	171.9	-173.4	-9.6	0	0	0	110.7	Q789 E790	D787-Q789 PolarHBondContact O-N 3.05Å; D787-Q789 PolarHBondContact OD1-N 3.42Å; D787-E790 HydrophobicContact CB-CG 4.04Å; D787-E790 PolarHBondContact O-N 3.07Å
788	P	89.1	Confident	89.1	Confident	39 Å²	39	54.5 Å²	54.5	25%	0.253	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-56.1	-27.7	174	-26.5	36.1	0	0	0	115	E705 A719 E786	E705-P788 HydrophobicContact CB-CG 4.26Å; E705-P788 HydrophobicContact CG-CG 3.86Å; A719-P788 HydrophobicContact CB-CB 3.83Å; E786-P788 WeakPolarHBondContact O-CD 3.34Å
789	Q	88.1	Confident	89.1	Confident	173 Å²	173	53.9 Å²	53.9	81%	0.808	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-76.7	-22.9	-178	-62	-61.7	-26.7	0	0	113.4	D787 R791	D787-Q789 PolarHBondContact O-N 3.05Å; D787-Q789 PolarHBondContact OD1-N 3.42Å; Q789-R791 VanDerWaalsContact C-N 3.27Å
790	E	88.2	Confident	89	Confident	127 Å²	127	55.1 Å²	55.1	59%	0.593	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-78.3	-15.1	177.6	-67.2	-173	157.3	0	0	112.7	A785 D787	A785-E790 HydrophobicContact CB-CB 3.97Å; D787-E790 HydrophobicContact CB-CG 4.04Å; D787-E790 PolarHBondContact O-N 3.07Å
791	R	92.3	Very high	88.6	Confident	10 Å²	10	55.4 Å²	55.4	4%	0.038	27%	0.27	C	S	.	.	S	Bend	trans	-73.9	127.2	-177.6	-59.7	-178.8	-167.5	152.4	10.3	110.7	E705 A719 I722 R782 C783 A785 Q789	E705-R791 IonicContact OE1-CZ 3.59Å; E705-R791 IonicContact OE1-NH1 3.24Å; E705-R791 PolarHBondContact OE1-NH1 2.86Å; E705-R791 IonicContact OE1-NH2 3.51Å; E705-R791 IonicContact OE2-CZ 2.81Å; E705-R791 IonicContact OE2-NH1 3.44Å; E705-R791 PolarHBondContact OE2-NH1 2.71Å; E705-R791 IonicContact OE2-NH2 3.74Å; E705-R791 PolarHBondContact OE2-NH2 3.45Å; A719-R791 WeakPolarHBondContact O-CD 3.42Å; A719-R791 PolarHBondContact O-NH1 2.92Å; I722-R791 HydrophobicContact CG2-CB 3.96Å; R782-R791 WeakPolarHBondContact O-CA 3.41Å; C783-R791 WeakPolarHBondContact O-CD 3.43Å; A785-R791 HydrophobicContact CB-CG 4.08Å; A785-R791 PolarHBondContact O-NE 3.49Å; A785-R791 PolarHBondContact O-NH2 2.87Å; Q789-R791 VanDerWaalsContact C-N 3.27Å
792	P	92.3	Very high	88	Confident	4 Å²	4	58 Å²	58	3%	0.026	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-74	135.8	-176.5	28.6	-33.4	0	0	0	111.5	I722 R782 Q796 I797	I722-P792 WeakPolarHBondContact CD1-O 3.34Å; R782-P792 HydrophobicContact CB-CG 4.28Å; R782-P792 WeakPolarHBondContact O-CD 3.41Å; P792-Q796 HydrophobicContact CB-CB 4.33Å; P792-Q796 HydrophobicContact CB-CG 4.35Å; P792-I797 HydrophobicContact CB-CG1 4.19Å; P792-I797 HydrophobicContact CG-CD1 4.31Å; P792-I797 HydrophobicContact CG-CG1 3.94Å; P792-I797 WeakPolarHBondContact O-CD1 3.43Å
793	P	91.8	Very high	87.2	Confident	70 Å²	70	60.1 Å²	60.1	46%	0.455	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-64.3	154.3	174.6	27.5	-34.7	0	0	0	111.6	Q795 Q796 I797	P793-Q795 PolarHBondContact O-N 2.77Å; P793-Q796 HydrophobicContact CG-CB 4.11Å; P793-Q796 WeakPolarHBondContact O-CA 3.29Å; P793-Q796 WeakPolarHBondContact O-CB 3.32Å; P793-Q796 PolarHBondContact O-N 2.67Å; P793-I797 PolarHBondContact O-N 3.03Å
794	F	91.9	Very high	86.1	Confident	3 Å²	3	61.7 Å²	61.7	1%	0.013	30%	0.295	C	S	.	.	H	α-helix	trans	-55.2	-28.5	-178.8	-80.3	-74.6	0	0	0	114.2	V644 M647 L648 H651 D721 I722 F725 I797 R798	V644-F794 HydrophobicContact CG1-CD1 4.34Å; V644-F794 HydrophobicContact CG2-CD1 4.23Å; V644-F794 HydrophobicContact CG2-CE1 4.49Å; M647-F794 HydrophobicContact CB-CD1 3.97Å; M647-F794 HydrophobicContact CB-CD2 3.88Å; M647-F794 HydrophobicContact CB-CE1 3.76Å; M647-F794 HydrophobicContact CB-CE2 3.67Å; M647-F794 HydrophobicContact CB-CG 4.03Å; M647-F794 HydrophobicContact CB-CZ 3.61Å; M647-F794 HydrophobicContact CE-CE2 3.95Å; M647-F794 HydrophobicContact CE-CZ 4.3Å; M647-F794 HydrophobicContact CG-CE1 4.1Å; M647-F794 HydrophobicContact CG-CE2 4.13Å; M647-F794 HydrophobicContact CG-CZ 3.75Å; L648-F794 HydrophobicContact CB-CB 4.42Å; L648-F794 HydrophobicContact CD1-CB 4.32Å; H651-F794 AromaticContact CE1-CD2 3.49Å; H651-F794 VanDerWaalsContact CE1-CD2 3.49Å; H651-F794 WeakPolarHBondContact CE1-CD2 3.46Å; H651-F794 AromaticContact CE1-CE2 3.5Å; H651-F794 AromaticContact ND1-CD2 3.5Å; H651-F794 AromaticContact NE2-CE2 3.99Å; D721-F794 HydrophobicContact CB-CE2 4.34Å; I722-F794 HydrophobicContact CG1-CD2 4.16Å; I722-F794 HydrophobicContact CG1-CE2 3.87Å; I722-F794 HydrophobicContact CG1-CZ 4.45Å; F725-F794 HydrophobicContact CB-CE1 4.05Å; F725-F794 HydrophobicContact CB-CZ 3.89Å; F725-F794 HydrophobicContact CD1-CE1 4.12Å; F725-F794 HydrophobicContact CD2-CE1 4.01Å; F725-F794 AromaticContact CG-CE1 3.78Å; F725-F794 HydrophobicContact CG-CE1 3.78Å; F725-F794 HydrophobicContact CG-CZ 4.16Å; F794-I797 HydrophobicContact CD1-CD1 4.08Å; F794-I797 HydrophobicContact CE1-CD1 4.37Å; F794-I797 PolarHBondContact O-N 3.08Å; F794-R798 WeakPolarHBondContact O-CB 3.39Å; F794-R798 PolarHBondContact O-N 3.49Å
795	Q	90.2	Very high	84.6	Confident	110 Å²	110	64.1 Å²	64.1	51%	0.514	31%	0.309	S	S	.	.	H	α-helix	trans	-62.6	-41.9	173.1	-177.8	172.4	-14.7	0	0	112.1	L648 P793 L799	L648-Q795 HydrophobicContact CD1-CB 4.08Å; P793-Q795 PolarHBondContact O-N 2.77Å; Q795-L799 WeakPolarHBondContact O-CG 3.49Å; Q795-L799 PolarHBondContact O-N 3.37Å
796	Q	89.8	Confident	83	Confident	79 Å²	79	72.9 Å²	72.9	37%	0.369	34%	0.339	S	S	.	.	H	α-helix	trans	-72.3	-40.9	176.2	-172.8	173.7	7.8	0	0	110.8	P792 P793 R798 L799 T800	P792-Q796 HydrophobicContact CB-CB 4.33Å; P792-Q796 HydrophobicContact CB-CG 4.35Å; P793-Q796 HydrophobicContact CG-CB 4.11Å; P793-Q796 WeakPolarHBondContact O-CA 3.29Å; P793-Q796 WeakPolarHBondContact O-CB 3.32Å; P793-Q796 PolarHBondContact O-N 2.67Å; Q796-R798 VanDerWaalsContact C-N 3.32Å; Q796-R798 PolarHBondContact O-N 2.98Å; Q796-L799 PolarHBondContact O-N 3.07Å; Q796-L799 VanDerWaalsContact O-N 3.12Å; Q796-T800 PolarHBondContact O-N 3.47Å; Q796-T800 PolarHBondContact O-OG1 2.97Å; Q796-T800 VanDerWaalsContact O-OG1 3.07Å
797	I	90.1	Very high	81.3	Confident	0 Å²	0	78 Å²	78	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-56.1	-46.5	174.7	-62.1	176	0	0	0	110.6	V644 I722 F725 L779 P792 P793 F794 L799 T800 L801	V644-I797 HydrophobicContact CG2-CG2 3.96Å; I722-I797 HydrophobicContact CG2-CD1 4.12Å; F725-I797 HydrophobicContact CD1-CD1 4.21Å; F725-I797 HydrophobicContact CE1-CD1 4.31Å; F725-I797 HydrophobicContact CE1-CG2 3.85Å; F725-I797 HydrophobicContact CZ-CG2 4.3Å; L779-I797 HydrophobicContact CD1-CG1 4.33Å; L779-I797 HydrophobicContact CD2-CG2 4.29Å; P792-I797 HydrophobicContact CB-CG1 4.19Å; P792-I797 HydrophobicContact CG-CD1 4.31Å; P792-I797 HydrophobicContact CG-CG1 3.94Å; P792-I797 WeakPolarHBondContact O-CD1 3.43Å; P793-I797 PolarHBondContact O-N 3.03Å; F794-I797 HydrophobicContact CD1-CD1 4.08Å; F794-I797 HydrophobicContact CE1-CD1 4.37Å; F794-I797 PolarHBondContact O-N 3.08Å; I797-L799 VanDerWaalsContact C-N 3.32Å; I797-L799 PolarHBondContact O-N 3.18Å; I797-T800 PolarHBondContact O-N 2.97Å; I797-L801 HydrophobicContact CG2-CD1 4.01Å; I797-L801 HydrophobicContact CG2-CG 4.36Å; I797-L801 WeakPolarHBondContact O-CG 3.27Å; I797-L801 PolarHBondContact O-N 2.84Å
798	R	88	Confident	79.5	Confident	70 Å²	70	80.8 Å²	80.8	26%	0.264	38%	0.378	S	S	.	.	H	α-helix	trans	-58.3	-41.6	176.3	-173.4	-178.7	66.6	170.7	0.3	112.6	V644 F794 Q796 R802	V644-R798 HydrophobicContact CG1-CB 3.77Å; V644-R798 HydrophobicContact CG1-CG 4.33Å; F794-R798 WeakPolarHBondContact O-CB 3.39Å; F794-R798 PolarHBondContact O-N 3.49Å; Q796-R798 VanDerWaalsContact C-N 3.32Å; Q796-R798 PolarHBondContact O-N 2.98Å; R798-R802 WeakPolarHBondContact O-CB 3.49Å; R798-R802 WeakPolarHBondContact O-CG 3.46Å; R798-R802 PolarHBondContact O-N 3.41Å
799	L	85.1	Confident	77.7	Confident	88 Å²	88	79.7 Å²	79.7	46%	0.461	37%	0.371	S	S	.	.	H	α-helix	trans	-67.3	-41	178.3	-69.9	172.3	0	0	0	111.4	Q795 Q796 I797 R802 K803	Q795-L799 WeakPolarHBondContact O-CG 3.49Å; Q795-L799 PolarHBondContact O-N 3.37Å; Q796-L799 PolarHBondContact O-N 3.07Å; Q796-L799 VanDerWaalsContact O-N 3.12Å; I797-L799 VanDerWaalsContact C-N 3.32Å; I797-L799 PolarHBondContact O-N 3.18Å; L799-R802 PolarHBondContact O-N 2.68Å; L799-K803 WeakPolarHBondContact O-CG 3.5Å; L799-K803 PolarHBondContact O-N 2.71Å
800	T	83.6	Confident	75.7	Confident	33 Å²	33	75 Å²	75	20%	0.202	36%	0.358	C	S	.	.	H	α-helix	trans	-64.3	-47.4	176.6	-56.7	0	0	0	0	111.3	L779 Q796 I797 R802 K803 F804	L779-T800 HydrophobicContact CD1-CG2 4.27Å; L779-T800 HydrophobicContact CD2-CG2 4.46Å; Q796-T800 PolarHBondContact O-N 3.47Å; Q796-T800 PolarHBondContact O-OG1 2.97Å; Q796-T800 VanDerWaalsContact O-OG1 3.07Å; I797-T800 PolarHBondContact O-N 2.97Å; T800-R802 VanDerWaalsContact C-N 3.31Å; T800-R802 PolarHBondContact O-N 2.82Å; T800-K803 WeakPolarHBondContact O-CB 3.33Å; T800-K803 PolarHBondContact O-N 2.85Å; T800-K803 VanDerWaalsContact O-N 3.1Å; T800-F804 HydrophobicContact CG2-CD2 4.39Å; T800-F804 HydrophobicContact CG2-CE1 4.05Å; T800-F804 HydrophobicContact CG2-CE2 3.53Å; T800-F804 HydrophobicContact CG2-CZ 3.32Å; T800-F804 WeakPolarHBondContact O-CD2 3.48Å; T800-F804 WeakPolarHBondContact O-CG 3.41Å; T800-F804 PolarHBondContact O-N 3.48Å; T800-F804 VanDerWaalsContact O-N 3.15Å
801	L	79.8	Confident	74	Confident	13 Å²	13	75.1 Å²	75.1	7%	0.068	36%	0.362	C	S	.	.	H	α-helix	trans	-61.1	-37.4	175.1	-70.8	175.1	0	0	0	112.7	T640 V644 L776 L779 I797 F804 N805	T640-L801 HydrophobicContact CG2-CD1 3.99Å; T640-L801 HydrophobicContact CG2-CD2 4.44Å; V644-L801 HydrophobicContact CG2-CD1 3.8Å; L776-L801 HydrophobicContact CD1-CD2 4.24Å; L779-L801 HydrophobicContact CD2-CD2 3.84Å; L779-L801 HydrophobicContact CD2-CG 4.15Å; I797-L801 HydrophobicContact CG2-CD1 4.01Å; I797-L801 HydrophobicContact CG2-CG 4.36Å; I797-L801 WeakPolarHBondContact O-CG 3.27Å; I797-L801 PolarHBondContact O-N 2.84Å; L801-F804 HydrophobicContact CD2-CD2 4.16Å; L801-F804 PolarHBondContact O-N 3.28Å; L801-N805 PolarHBondContact O-N 3.32Å; L801-N805 VanDerWaalsContact O-N 3.12Å
802	R	75.1	Confident	72	Confident	144 Å²	144	78.9 Å²	78.9	54%	0.543	38%	0.382	S	S	.	.	H	α-helix	trans	-65.6	-35.8	174.1	-80.5	-178.7	178.3	-172.2	-2.9	112.8	R798 L799 T800 N805 R806	R798-R802 WeakPolarHBondContact O-CB 3.49Å; R798-R802 WeakPolarHBondContact O-CG 3.46Å; R798-R802 PolarHBondContact O-N 3.41Å; L799-R802 PolarHBondContact O-N 2.68Å; T800-R802 VanDerWaalsContact C-N 3.31Å; T800-R802 PolarHBondContact O-N 2.82Å; R802-N805 PolarHBondContact O-N 3.37Å; R802-R806 WeakPolarHBondContact O-CB 3.01Å; R802-R806 PolarHBondContact O-N 2.9Å
803	K	73.1	Confident	69.9	Low	147 Å²	147	81.4 Å²	81.4	64%	0.639	40%	0.395	S	S	*	.	H	α-helix	trans	-64.8	-45.4	176.1	-74.6	179	179	-172.2	0	111.1	L799 T800 N805 R806 E807	L799-K803 WeakPolarHBondContact O-CG 3.5Å; L799-K803 PolarHBondContact O-N 2.71Å; T800-K803 WeakPolarHBondContact O-CB 3.33Å; T800-K803 PolarHBondContact O-N 2.85Å; T800-K803 VanDerWaalsContact O-N 3.1Å; K803-N805 PolarHBondContact O-N 3.19Å; K803-R806 WeakPolarHBondContact O-CB 3.1Å; K803-R806 PolarHBondContact O-N 3.12Å; K803-E807 PolarHBondContact O-N 2.84Å
804	F	65.9	Low	68	Low	34 Å²	34	83.6 Å²	83.6	15%	0.149	40%	0.403	C	S	.	.	H	α-helix	trans	-57.4	-36.3	173.8	-56.1	-31.2	0	0	0	112.2	E775 L779 T800 L801	E775-F804 HydrophobicContact CB-CD1 4.08Å; E775-F804 HydrophobicContact CB-CE1 3.36Å; E775-F804 HydrophobicContact CB-CE2 4.46Å; E775-F804 HydrophobicContact CB-CZ 3.57Å; E775-F804 HydrophobicContact CG-CE1 4.14Å; E775-F804 WeakPolarHBondContact OE2-CD1 3.43Å; E775-F804 WeakPolarHBondContact OE2-CE1 3.44Å; L779-F804 HydrophobicContact CD2-CE2 4.2Å; T800-F804 HydrophobicContact CG2-CD2 4.39Å; T800-F804 HydrophobicContact CG2-CE1 4.05Å; T800-F804 HydrophobicContact CG2-CE2 3.53Å; T800-F804 HydrophobicContact CG2-CZ 3.32Å; T800-F804 WeakPolarHBondContact O-CD2 3.48Å; T800-F804 WeakPolarHBondContact O-CG 3.41Å; T800-F804 PolarHBondContact O-N 3.48Å; T800-F804 VanDerWaalsContact O-N 3.15Å; L801-F804 HydrophobicContact CD2-CD2 4.16Å; L801-F804 PolarHBondContact O-N 3.28Å
805	N	57.7	Low	66	Low	63 Å²	63	87 Å²	87	34%	0.337	42%	0.421	S	S	.	.	H	α-helix	trans	-77.6	-24.1	178	-140.6	13.8	0	0	0	113.3	L801 R802 K803 N808 S809	L801-N805 PolarHBondContact O-N 3.32Å; L801-N805 VanDerWaalsContact O-N 3.12Å; R802-N805 PolarHBondContact O-N 3.37Å; K803-N805 PolarHBondContact O-N 3.19Å; N805-N808 PolarHBondContact O-N 3.01Å; N805-S809 VanDerWaalsContact CG-OG 3.28Å; N805-S809 PolarHBondContact O-N 3.23Å; N805-S809 PolarHBondContact O-OG 2.97Å; N805-S809 PolarHBondContact OD1-OG 3.08Å
806	R	55.4	Low	64.1	Low	195 Å²	195	84.7 Å²	84.7	74%	0.736	41%	0.412	S	S	*	.	H	α-helix	trans	-77.7	-30.6	-175.9	-138.1	177.2	178.9	-175.2	-1.5	112.9	R802 K803 N808	R802-R806 WeakPolarHBondContact O-CB 3.01Å; R802-R806 PolarHBondContact O-N 2.9Å; K803-R806 WeakPolarHBondContact O-CB 3.1Å; K803-R806 PolarHBondContact O-N 3.12Å; R806-N808 PolarHBondContact O-N 3.08Å
807	E	51.8	Low	62.4	Low	160 Å²	160	85.2 Å²	85.2	75%	0.748	42%	0.417	S	S	*	.	H	α-helix	trans	-73.5	-16.3	175.3	-72.6	-175.5	174.6	0	0	112.8	K803	K803-E807 PolarHBondContact O-N 2.84Å
808	N	51.2	Low	60.5	Low	134 Å²	134	87.9 Å²	87.9	72%	0.717	44%	0.436	S	S	*	.	H	α-helix	trans	-126.2	-7.9	-177.8	-91.2	-27.1	0	0	0	117.2	N805 R806	N805-N808 PolarHBondContact O-N 3.01Å; R806-N808 PolarHBondContact O-N 3.08Å
809	S	50.4	Low	58.7	Low	17 Å²	17	90.6 Å²	90.6	12%	0.119	45%	0.446	C	S	.	.	H	α-helix	trans	-160.3	20	-168.2	75.8	0	0	0	0	120.1	N805 N811 I812 L813	N805-S809 VanDerWaalsContact CG-OG 3.28Å; N805-S809 PolarHBondContact O-N 3.23Å; N805-S809 PolarHBondContact O-OG 2.97Å; N805-S809 PolarHBondContact OD1-OG 3.08Å; S809-N811 PolarHBondContact O-N 3.37Å; S809-I812 PolarHBondContact O-N 3.41Å; S809-L813 PolarHBondContact O-N 2.82Å
810	S	46.1	Very low	57	Low	75 Å²	75	92.9 Å²	92.9	52%	0.524	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-14.3	-179.9	65.3	0	0	0	0	115
811	N	53	Low	55.6	Low	129 Å²	129	97.4 Å²	97.4	69%	0.69	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.2	0.7	173	-73.8	-10.9	0	0	0	113.7	S809 N815	S809-N811 PolarHBondContact O-N 3.37Å; N811-N815 WeakPolarHBondContact O-CB 3.47Å
812	I	48.9	Very low	54.4	Low	89 Å²	89	102 Å²	102	46%	0.456	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-37.7	-173	-65.5	172.1	0	0	0	110.6	M634 S809 L816	M634-I812 HydrophobicContact CE-CG2 4.49Å; S809-I812 PolarHBondContact O-N 3.41Å; I812-L816 HydrophobicContact CG2-CD1 3.63Å; I812-L816 HydrophobicContact CG2-CG 4.41Å; I812-L816 WeakPolarHBondContact O-CA 3.48Å; I812-L816 WeakPolarHBondContact O-CB 3.4Å; I812-L816 VanDerWaalsContact O-CG 3.32Å; I812-L816 WeakPolarHBondContact O-CG 3.4Å; I812-L816 PolarHBondContact O-N 3.44Å
813	L	48.3	Very low	53.2	Low	57 Å²	57	102.3 Å²	102.3	30%	0.298	50%	0.498	S	S	.	.	H	α-helix	trans	-76.3	-42.4	-179	-162.9	75.1	0	0	0	112.3	M634 S809 N815 L816 L817	M634-L813 HydrophobicContact CG-CD1 4.45Å; M634-L813 HydrophobicContact SD-CD1 4.41Å; S809-L813 PolarHBondContact O-N 2.82Å; L813-N815 VanDerWaalsContact C-N 3.29Å; L813-N815 PolarHBondContact O-N 2.87Å; L813-L816 PolarHBondContact O-N 2.97Å; L813-L817 HydrophobicContact CG-CD1 4.12Å; L813-L817 VanDerWaalsContact O-CB 3.31Å; L813-L817 WeakPolarHBondContact O-CB 3.47Å; L813-L817 PolarHBondContact O-N 2.71Å
814	D	52.1	Low	52.2	Low	116 Å²	116	97.8 Å²	97.8	62%	0.62	49%	0.488	S	S	*	.	H	α-helix	trans	-68	-32.9	173.9	-72.5	-17.2	0	0	0	111.2	S818	D814-S818 VanDerWaalsContact O-CB 3.27Å; D814-S818 WeakPolarHBondContact O-CB 3.37Å; D814-S818 PolarHBondContact O-N 2.98Å
815	N	49.7	Very low	51.8	Low	73 Å²	73	100.9 Å²	100.9	39%	0.39	51%	0.506	S	S	.	.	H	α-helix	trans	-76	-29	174.4	-158.2	-23.9	0	0	0	111.6	N811 L813 R819	N811-N815 WeakPolarHBondContact O-CB 3.47Å; L813-N815 VanDerWaalsContact C-N 3.29Å; L813-N815 PolarHBondContact O-N 2.87Å; N815-R819 WeakPolarHBondContact O-CA 3.4Å; N815-R819 WeakPolarHBondContact O-CB 3.5Å; N815-R819 VanDerWaalsContact O-CD 3.27Å; N815-R819 WeakPolarHBondContact O-CD 3.36Å; N815-R819 WeakPolarHBondContact O-CG 3.5Å; N815-R819 PolarHBondContact O-N 2.81Å; N815-R819 PolarHBondContact OD1-NE 3.36Å
816	L	51.3	Low	51.9	Low	63 Å²	63	101.8 Å²	101.8	33%	0.33	51%	0.511	S	S	.	.	H	α-helix	trans	-78.8	-36.2	172	-87.8	162.6	0	0	0	112.3	M634 I812 L813 R819 M820	M634-L816 HydrophobicContact CE-CD1 3.51Å; M634-L816 HydrophobicContact SD-CD1 3.78Å; I812-L816 HydrophobicContact CG2-CD1 3.63Å; I812-L816 HydrophobicContact CG2-CG 4.41Å; I812-L816 WeakPolarHBondContact O-CA 3.48Å; I812-L816 WeakPolarHBondContact O-CB 3.4Å; I812-L816 VanDerWaalsContact O-CG 3.32Å; I812-L816 WeakPolarHBondContact O-CG 3.4Å; I812-L816 PolarHBondContact O-N 3.44Å; L813-L816 PolarHBondContact O-N 2.97Å; L816-R819 CarbonylContact O-C 3.55Å; L816-R819 PolarHBondContact O-N 2.87Å; L816-M820 VanDerWaalsContact O-CB 3.28Å; L816-M820 WeakPolarHBondContact O-CB 3.26Å; L816-M820 VanDerWaalsContact O-CG 3.23Å; L816-M820 WeakPolarHBondContact O-CG 3.48Å; L816-M820 PolarHBondContact O-N 3.44Å
817	L	53.2	Low	51.9	Low	90 Å²	90	96.5 Å²	96.5	47%	0.471	50%	0.497	S	S	.	.	H	α-helix	trans	-67.3	-46.3	172.4	-88.8	152	0	0	0	110.4	L813 R819 M820 E821	L813-L817 HydrophobicContact CG-CD1 4.12Å; L813-L817 VanDerWaalsContact O-CB 3.31Å; L813-L817 WeakPolarHBondContact O-CB 3.47Å; L813-L817 PolarHBondContact O-N 2.71Å; L817-R819 VanDerWaalsContact C-N 3.32Å; L817-R819 PolarHBondContact O-N 3.06Å; L817-M820 PolarHBondContact O-N 3.37Å; L817-E821 WeakPolarHBondContact O-CB 3.37Å; L817-E821 PolarHBondContact O-N 3.17Å
818	S	50.8	Low	52.3	Low	55 Å²	55	95.3 Å²	95.3	39%	0.385	49%	0.492	S	S	.	.	H	α-helix	trans	-64.9	-37.3	172.6	103	0	0	0	0	111.1	D814 Q822	D814-S818 VanDerWaalsContact O-CB 3.27Å; D814-S818 WeakPolarHBondContact O-CB 3.37Å; D814-S818 PolarHBondContact O-N 2.98Å; S818-Q822 WeakPolarHBondContact O-CA 3.23Å; S818-Q822 WeakPolarHBondContact O-CB 3.5Å; S818-Q822 PolarHBondContact O-N 2.93Å
819	R	50	Low	52.9	Low	127 Å²	127	95.2 Å²	95.2	48%	0.479	49%	0.487	S	S	.	.	H	α-helix	trans	-66.7	-37.9	173.3	-79.8	168.8	-171.4	-147.9	-4.8	111.7	N815 L816 L817 Y823	N815-R819 WeakPolarHBondContact O-CA 3.4Å; N815-R819 WeakPolarHBondContact O-CB 3.5Å; N815-R819 VanDerWaalsContact O-CD 3.27Å; N815-R819 WeakPolarHBondContact O-CD 3.36Å; N815-R819 WeakPolarHBondContact O-CG 3.5Å; N815-R819 PolarHBondContact O-N 2.81Å; N815-R819 PolarHBondContact OD1-NE 3.36Å; L816-R819 CarbonylContact O-C 3.55Å; L816-R819 PolarHBondContact O-N 2.87Å; L817-R819 VanDerWaalsContact C-N 3.32Å; L817-R819 PolarHBondContact O-N 3.06Å; R819-Y823 HydrophobicContact CB-CD2 4.12Å; R819-Y823 HydrophobicContact CB-CE2 4.19Å; R819-Y823 WeakPolarHBondContact O-CA 3.5Å; R819-Y823 WeakPolarHBondContact O-CB 3.38Å; R819-Y823 WeakPolarHBondContact O-CD2 3.42Å; R819-Y823 VanDerWaalsContact O-CG 3.31Å; R819-Y823 PolarHBondContact O-N 3.33Å
820	M	49.9	Very low	53.6	Low	136 Å²	136	98.7 Å²	98.7	67%	0.67	50%	0.504	S	S	*	.	H	α-helix	trans	-72	-37.9	178.6	-77.1	-168.8	81.9	0	0	111.7	L816 L817 A824	L816-M820 VanDerWaalsContact O-CB 3.28Å; L816-M820 WeakPolarHBondContact O-CB 3.26Å; L816-M820 VanDerWaalsContact O-CG 3.23Å; L816-M820 WeakPolarHBondContact O-CG 3.48Å; L816-M820 PolarHBondContact O-N 3.44Å; L817-M820 PolarHBondContact O-N 3.37Å; M820-A824 VanDerWaalsContact O-CB 3.23Å; M820-A824 WeakPolarHBondContact O-CB 3.33Å; M820-A824 PolarHBondContact O-N 2.89Å
821	E	54.4	Low	54.4	Low	128 Å²	128	97.8 Å²	97.8	60%	0.598	50%	0.495	S	S	*	.	H	α-helix	trans	-67.5	-42.2	171.4	-76	-178.1	163.8	0	0	111.5	L817 A824 N825	L817-E821 WeakPolarHBondContact O-CB 3.37Å; L817-E821 PolarHBondContact O-N 3.17Å; E821-A824 PolarHBondContact O-N 3.02Å; E821-N825 WeakPolarHBondContact O-CB 3.46Å; E821-N825 PolarHBondContact O-N 3.06Å; E821-N825 PolarHBondContact O-ND2 2.92Å
822	Q	53.5	Low	55	Low	109 Å²	109	98 Å²	98	51%	0.509	49%	0.492	S	S	.	.	H	α-helix	trans	-70	-35.8	176.3	-168.4	174.6	17	0	0	111.5	S818 N826	S818-Q822 WeakPolarHBondContact O-CA 3.23Å; S818-Q822 WeakPolarHBondContact O-CB 3.5Å; S818-Q822 PolarHBondContact O-N 2.93Å; Q822-N826 WeakPolarHBondContact O-CB 3.49Å; Q822-N826 PolarHBondContact O-N 3.47Å; Q822-N826 PolarHBondContact O-ND2 3.43Å; Q822-N826 PolarHBondContact O-OD1 3.1Å
823	Y	50.7	Low	56	Low	151 Å²	151	100 Å²	100	59%	0.592	50%	0.499	S	S	*	.	H	α-helix	trans	-66.6	-41	171	-86	-62.1	0	0	0	110.5	R819 L827	R819-Y823 HydrophobicContact CB-CD2 4.12Å; R819-Y823 HydrophobicContact CB-CE2 4.19Å; R819-Y823 WeakPolarHBondContact O-CA 3.5Å; R819-Y823 WeakPolarHBondContact O-CB 3.38Å; R819-Y823 WeakPolarHBondContact O-CD2 3.42Å; R819-Y823 VanDerWaalsContact O-CG 3.31Å; R819-Y823 PolarHBondContact O-N 3.33Å; Y823-L827 WeakPolarHBondContact O-CB 3.41Å; Y823-L827 WeakPolarHBondContact O-CD1 3.41Å; Y823-L827 WeakPolarHBondContact O-CG 3.43Å; Y823-L827 PolarHBondContact O-N 2.88Å
824	A	52.1	Low	57	Low	53 Å²	53	106.4 Å²	106.4	44%	0.438	52%	0.519	S	S	.	.	H	α-helix	trans	-64.2	-48.5	177.4	0	0	0	0	0	111.5	M820 E821 L827 E828	M820-A824 VanDerWaalsContact O-CB 3.23Å; M820-A824 WeakPolarHBondContact O-CB 3.33Å; M820-A824 PolarHBondContact O-N 2.89Å; E821-A824 PolarHBondContact O-N 3.02Å; A824-L827 PolarHBondContact O-N 2.82Å; A824-E828 WeakPolarHBondContact O-CB 3.4Å; A824-E828 PolarHBondContact O-N 2.75Å
825	N	57.2	Low	57.8	Low	98 Å²	98	104.2 Å²	104.2	52%	0.524	51%	0.51	S	S	.	.	H	α-helix	trans	-68.6	-44.3	-179.9	-65.3	-14.2	0	0	0	111.7	E821 L827 E828 E829	E821-N825 WeakPolarHBondContact O-CB 3.46Å; E821-N825 PolarHBondContact O-N 3.06Å; E821-N825 PolarHBondContact O-ND2 2.92Å; N825-L827 VanDerWaalsContact C-N 3.31Å; N825-L827 PolarHBondContact O-N 3.09Å; N825-E828 PolarHBondContact O-N 2.89Å; N825-E829 WeakPolarHBondContact O-CB 3.42Å; N825-E829 PolarHBondContact O-N 2.94Å
826	N	60.6	Low	58.9	Low	82 Å²	82	106.2 Å²	106.2	44%	0.439	52%	0.517	S	S	.	.	H	α-helix	trans	-66.9	-32.7	176.1	-66.1	-0.4	0	0	0	111.7	Q822 L830	Q822-N826 WeakPolarHBondContact O-CB 3.49Å; Q822-N826 PolarHBondContact O-N 3.47Å; Q822-N826 PolarHBondContact O-ND2 3.43Å; Q822-N826 PolarHBondContact O-OD1 3.1Å; N826-L830 WeakPolarHBondContact O-CB 3.45Å; N826-L830 PolarHBondContact O-N 2.79Å
827	L	54.8	Low	60	Low	85 Å²	85	105.5 Å²	105.5	45%	0.445	52%	0.52	S	S	.	.	H	α-helix	trans	-70.6	-37.8	172.9	-92.4	151.4	0	0	0	111.2	Y823 A824 N825 V831	Y823-L827 WeakPolarHBondContact O-CB 3.41Å; Y823-L827 WeakPolarHBondContact O-CD1 3.41Å; Y823-L827 WeakPolarHBondContact O-CG 3.43Å; Y823-L827 PolarHBondContact O-N 2.88Å; A824-L827 PolarHBondContact O-N 2.82Å; N825-L827 VanDerWaalsContact C-N 3.31Å; N825-L827 PolarHBondContact O-N 3.09Å; L827-V831 WeakPolarHBondContact O-CB 3.42Å; L827-V831 WeakPolarHBondContact O-CG2 3.17Å; L827-V831 PolarHBondContact O-N 2.92Å
828	E	59.7	Low	60.9	Low	134 Å²	134	108.2 Å²	108.2	63%	0.626	53%	0.525	S	S	*	.	H	α-helix	trans	-64.9	-47	177.4	-165.1	163.7	-156.7	0	0	110.5	A824 N825 V831 E832	A824-E828 WeakPolarHBondContact O-CB 3.4Å; A824-E828 PolarHBondContact O-N 2.75Å; N825-E828 PolarHBondContact O-N 2.89Å; E828-V831 PolarHBondContact O-N 2.82Å; E828-E832 WeakPolarHBondContact O-CB 3.44Å; E828-E832 PolarHBondContact O-N 3.03Å
829	E	63.5	Low	62	Low	133 Å²	133	109.8 Å²	109.8	62%	0.621	53%	0.529	S	S	*	.	H	α-helix	trans	-63.2	-46.4	175	-171.8	175.2	-166	0	0	111.9	N825 V831 E832 E833	N825-E829 WeakPolarHBondContact O-CB 3.42Å; N825-E829 PolarHBondContact O-N 2.94Å; E829-V831 VanDerWaalsContact C-N 3.33Å; E829-V831 PolarHBondContact O-N 2.79Å; E829-E832 PolarHBondContact O-N 3.11Å; E829-E833 WeakPolarHBondContact O-CB 3.49Å; E829-E833 PolarHBondContact O-N 3.06Å
830	L	66.9	Low	63.2	Low	90 Å²	90	107.5 Å²	107.5	47%	0.471	52%	0.524	S	S	.	.	H	α-helix	trans	-66.1	-35.1	177.5	-174.2	70.2	0	0	0	112.2	N826 R834	N826-L830 WeakPolarHBondContact O-CB 3.45Å; N826-L830 PolarHBondContact O-N 2.79Å; L830-R834 WeakPolarHBondContact O-CB 3.15Å; L830-R834 PolarHBondContact O-N 2.98Å
831	V	62	Low	64.2	Low	55 Å²	55	107.6 Å²	107.6	33%	0.333	52%	0.522	S	S	.	.	H	α-helix	trans	-69.7	-39.7	174.9	167.1	0	0	0	0	109.8	L827 E828 E829 T835	L827-V831 WeakPolarHBondContact O-CB 3.42Å; L827-V831 WeakPolarHBondContact O-CG2 3.17Å; L827-V831 PolarHBondContact O-N 2.92Å; E828-V831 PolarHBondContact O-N 2.82Å; E829-V831 VanDerWaalsContact C-N 3.33Å; E829-V831 PolarHBondContact O-N 2.79Å; V831-T835 WeakPolarHBondContact O-CB 3.21Å; V831-T835 PolarHBondContact O-N 2.84Å; V831-T835 PolarHBondContact O-OG1 2.81Å
832	E	64.7	Low	65.3	Low	135 Å²	135	105.9 Å²	105.9	63%	0.631	51%	0.513	S	S	*	.	H	α-helix	trans	-64.6	-48.2	176.4	-168.4	162.8	-157.1	0	0	111.1	E828 E829 R834 T835 Q836	E828-E832 WeakPolarHBondContact O-CB 3.44Å; E828-E832 PolarHBondContact O-N 3.03Å; E829-E832 PolarHBondContact O-N 3.11Å; E832-R834 PolarHBondContact O-N 2.77Å; E832-T835 PolarHBondContact O-N 3.2Å; E832-Q836 WeakPolarHBondContact O-CB 3.32Å; E832-Q836 PolarHBondContact O-N 3.46Å
833	E	70.4	Confident	66.4	Low	130 Å²	130	108.2 Å²	108.2	61%	0.607	52%	0.517	S	S	*	.	H	α-helix	trans	-59.5	-48.1	175.7	-171	-171.7	-179.1	0	0	111.4	E829 T835 Q836 A837	E829-E833 WeakPolarHBondContact O-CB 3.49Å; E829-E833 PolarHBondContact O-N 3.06Å; E833-T835 VanDerWaalsContact C-N 3.3Å; E833-T835 PolarHBondContact O-N 2.8Å; E833-Q836 PolarHBondContact O-N 2.87Å; E833-A837 WeakPolarHBondContact O-CB 3.24Å; E833-A837 PolarHBondContact O-N 3.19Å
834	R	69.3	Low	67.7	Low	191 Å²	191	107.5 Å²	107.5	72%	0.721	52%	0.517	S	S	*	.	H	α-helix	trans	-69.1	-30.3	179.8	-157.7	176.8	-165.9	163.8	5.7	112.2	L830 E832 Y838	L830-R834 WeakPolarHBondContact O-CB 3.15Å; L830-R834 PolarHBondContact O-N 2.98Å; E832-R834 PolarHBondContact O-N 2.77Å; R834-Y838 VanDerWaalsContact O-CB 3.23Å; R834-Y838 WeakPolarHBondContact O-CB 3.45Å; R834-Y838 PolarHBondContact O-N 3.08Å
835	T	69.9	Low	68.8	Low	70 Å²	70	107.9 Å²	107.9	43%	0.429	52%	0.52	S	S	.	.	H	α-helix	trans	-70	-41.4	173.3	-60.7	0	0	0	0	110.4	V831 E832 E833 Y838 L839	V831-T835 WeakPolarHBondContact O-CB 3.21Å; V831-T835 PolarHBondContact O-N 2.84Å; V831-T835 PolarHBondContact O-OG1 2.81Å; E832-T835 PolarHBondContact O-N 3.2Å; E833-T835 VanDerWaalsContact C-N 3.3Å; E833-T835 PolarHBondContact O-N 2.8Å; T835-Y838 PolarHBondContact O-N 3.02Å; T835-L839 HydrophobicContact CG2-CD1 4.25Å; T835-L839 WeakPolarHBondContact O-CB 3.33Å; T835-L839 VanDerWaalsContact O-CG 3.25Å; T835-L839 WeakPolarHBondContact O-CG 3.38Å; T835-L839 PolarHBondContact O-N 3.11Å
836	Q	72.8	Confident	69.9	Low	115 Å²	115	105.3 Å²	105.3	54%	0.537	51%	0.505	S	S	.	.	H	α-helix	trans	-65.2	-46	175.5	-173.2	172.4	-17.6	0	0	111.5	E832 E833 Y838 L839 E840	E832-Q836 WeakPolarHBondContact O-CB 3.32Å; E832-Q836 PolarHBondContact O-N 3.46Å; E833-Q836 PolarHBondContact O-N 2.87Å; Q836-Y838 VanDerWaalsContact C-N 3.33Å; Q836-Y838 PolarHBondContact O-N 3.22Å; Q836-L839 PolarHBondContact O-N 2.77Å; Q836-L839 VanDerWaalsContact O-N 3.15Å; Q836-E840 WeakPolarHBondContact O-CG 3.25Å; Q836-E840 PolarHBondContact O-N 2.83Å
837	A	73.5	Confident	70.7	Confident	48 Å²	48	103.8 Å²	103.8	40%	0.397	50%	0.504	S	S	.	.	H	α-helix	trans	-58.5	-44.1	173.9	0	0	0	0	0	111.6	E833 L839 E840 E841	E833-A837 WeakPolarHBondContact O-CB 3.24Å; E833-A837 PolarHBondContact O-N 3.19Å; A837-L839 PolarHBondContact O-N 2.81Å; A837-E840 PolarHBondContact O-N 2.81Å; A837-E841 WeakPolarHBondContact O-CG 3.39Å; A837-E841 PolarHBondContact O-N 2.82Å
838	Y	72.5	Confident	71.8	Confident	147 Å²	147	104.5 Å²	104.5	58%	0.576	51%	0.508	S	S	*	.	H	α-helix	trans	-62.5	-40.8	175	175.4	-98.1	0	0	0	112.5	R834 T835 Q836 E840 E841 K842	R834-Y838 VanDerWaalsContact O-CB 3.23Å; R834-Y838 WeakPolarHBondContact O-CB 3.45Å; R834-Y838 PolarHBondContact O-N 3.08Å; T835-Y838 PolarHBondContact O-N 3.02Å; Q836-Y838 VanDerWaalsContact C-N 3.33Å; Q836-Y838 PolarHBondContact O-N 3.22Å; Y838-E840 VanDerWaalsContact C-N 3.33Å; Y838-E841 PolarHBondContact O-N 3.06Å; Y838-K842 HydrophobicContact CE1-CD 4.47Å; Y838-K842 WeakPolarHBondContact O-CB 3.33Å; Y838-K842 PolarHBondContact O-N 3.27Å
839	L	72.8	Confident	72.8	Confident	89 Å²	89	100.5 Å²	100.5	47%	0.466	49%	0.49	S	S	.	.	H	α-helix	trans	-65.4	-37.7	176.9	-74.6	171.2	0	0	0	111.8	T835 Q836 A837 R843	T835-L839 HydrophobicContact CG2-CD1 4.25Å; T835-L839 WeakPolarHBondContact O-CB 3.33Å; T835-L839 VanDerWaalsContact O-CG 3.25Å; T835-L839 WeakPolarHBondContact O-CG 3.38Å; T835-L839 PolarHBondContact O-N 3.11Å; Q836-L839 PolarHBondContact O-N 2.77Å; Q836-L839 VanDerWaalsContact O-N 3.15Å; A837-L839 PolarHBondContact O-N 2.81Å; L839-R843 WeakPolarHBondContact O-CB 3.4Å; L839-R843 PolarHBondContact O-N 2.91Å
840	E	76.3	Confident	73.5	Confident	79 Å²	79	97 Å²	97	37%	0.369	47%	0.472	S	S	.	.	H	α-helix	trans	-69.4	-45	174.9	-73.4	-178.1	-171.3	0	0	112.5	Q836 A837 Y838 K842 R843 K844	Q836-E840 WeakPolarHBondContact O-CG 3.25Å; Q836-E840 PolarHBondContact O-N 2.83Å; A837-E840 PolarHBondContact O-N 2.81Å; Y838-E840 VanDerWaalsContact C-N 3.33Å; E840-K842 VanDerWaalsContact C-N 3.33Å; E840-K842 PolarHBondContact O-N 3.43Å; E840-R843 PolarHBondContact O-N 2.75Å; E840-K844 WeakPolarHBondContact O-CG 3.43Å; E840-K844 PolarHBondContact O-N 2.92Å
841	E	71.6	Confident	73.8	Confident	137 Å²	137	100 Å²	100	64%	0.64	48%	0.483	S	S	*	.	H	α-helix	trans	-61.1	-43	173.9	-77.2	-164.6	145.2	0	0	111.4	A837 Y838 R843 K844 A845	A837-E841 WeakPolarHBondContact O-CG 3.39Å; A837-E841 PolarHBondContact O-N 2.82Å; Y838-E841 PolarHBondContact O-N 3.06Å; E841-R843 VanDerWaalsContact C-N 3.34Å; E841-R843 PolarHBondContact O-N 3.22Å; E841-K844 PolarHBondContact O-N 3.39Å; E841-A845 WeakPolarHBondContact O-CB 3.28Å; E841-A845 PolarHBondContact O-N 2.98Å
842	K	77.3	Confident	74.5	Confident	92 Å²	92	102.9 Å²	102.9	40%	0.4	50%	0.495	S	S	.	.	H	α-helix	trans	-58.1	-46.6	173.7	-179.8	-176.2	171.2	-173.6	0	110.9	Y838 E840 K844 A845 E846	Y838-K842 HydrophobicContact CE1-CD 4.47Å; Y838-K842 WeakPolarHBondContact O-CB 3.33Å; Y838-K842 PolarHBondContact O-N 3.27Å; E840-K842 VanDerWaalsContact C-N 3.33Å; E840-K842 PolarHBondContact O-N 3.43Å; K842-K844 VanDerWaalsContact C-N 3.34Å; K842-K844 PolarHBondContact O-N 3.49Å; K842-A845 PolarHBondContact O-N 3.37Å; K842-E846 WeakPolarHBondContact CE-OE1 3.18Å; K842-E846 HydrophobicContact CG-CG 4.36Å; K842-E846 IonicContact NZ-OE1 2.64Å; K842-E846 WeakPolarHBondContact O-CB 3.33Å; K842-E846 WeakPolarHBondContact O-CG 3.43Å; K842-E846 PolarHBondContact O-N 3.31Å
843	R	75.8	Confident	75.2	Confident	159 Å²	159	96.5 Å²	96.5	60%	0.6	47%	0.466	S	S	*	.	H	α-helix	trans	-60.9	-42.5	178.3	-168.6	-171	-62.3	124.6	-0.6	111.5	L839 E840 E841 E846 A847	L839-R843 WeakPolarHBondContact O-CB 3.4Å; L839-R843 PolarHBondContact O-N 2.91Å; E840-R843 PolarHBondContact O-N 2.75Å; E841-R843 VanDerWaalsContact C-N 3.34Å; E841-R843 PolarHBondContact O-N 3.22Å; R843-E846 PolarHBondContact O-N 3.45Å; R843-A847 WeakPolarHBondContact O-CB 3.46Å; R843-A847 PolarHBondContact O-N 2.8Å
844	K	78.4	Confident	75.7	Confident	136 Å²	136	90.7 Å²	90.7	59%	0.591	44%	0.439	S	S	*	.	H	α-helix	trans	-64.4	-43.9	176.2	-70.6	172.6	-175.4	171.1	0	111.5	E840 E841 K842 A847 L848	E840-K844 WeakPolarHBondContact O-CG 3.43Å; E840-K844 PolarHBondContact O-N 2.92Å; E841-K844 PolarHBondContact O-N 3.39Å; K842-K844 VanDerWaalsContact C-N 3.34Å; K842-K844 PolarHBondContact O-N 3.49Å; K844-A847 PolarHBondContact O-N 2.91Å; K844-L848 WeakPolarHBondContact O-CG 3.31Å; K844-L848 PolarHBondContact O-N 2.93Å; K844-L848 VanDerWaalsContact O-N 3.07Å
845	A	75.4	Confident	76.3	Confident	60 Å²	60	87.4 Å²	87.4	50%	0.496	43%	0.432	S	S	.	.	H	α-helix	trans	-65.2	-40.7	177.5	0	0	0	0	0	112.4	E841 K842 L848 L849	E841-A845 WeakPolarHBondContact O-CB 3.28Å; E841-A845 PolarHBondContact O-N 2.98Å; K842-A845 PolarHBondContact O-N 3.37Å; A845-L848 PolarHBondContact O-N 3.08Å; A845-L849 WeakPolarHBondContact O-CB 3.45Å; A845-L849 PolarHBondContact O-N 3.05Å
846	E	79.3	Confident	76.8	Confident	45 Å²	45	86.5 Å²	86.5	21%	0.21	43%	0.429	C	S	.	.	H	α-helix	trans	-65.1	-43.7	175.3	-74.2	178.2	159	0	0	111.5	K842 R843 L848 L849 Y850 K862	K842-E846 WeakPolarHBondContact CE-OE1 3.18Å; K842-E846 HydrophobicContact CG-CG 4.36Å; K842-E846 IonicContact NZ-OE1 2.64Å; K842-E846 WeakPolarHBondContact O-CB 3.33Å; K842-E846 WeakPolarHBondContact O-CG 3.43Å; K842-E846 PolarHBondContact O-N 3.31Å; R843-E846 PolarHBondContact O-N 3.45Å; E846-L848 VanDerWaalsContact C-N 3.34Å; E846-L848 PolarHBondContact O-N 2.8Å; E846-L849 WeakPolarHBondContact O-CB 3.47Å; E846-L849 PolarHBondContact O-N 3.47Å; E846-L849 VanDerWaalsContact O-N 3.14Å; E846-Y850 HydrophobicContact CB-CE2 4.1Å; E846-Y850 WeakPolarHBondContact O-CD2 3.46Å; E846-Y850 PolarHBondContact O-N 3.08Å; E846-K862 VanDerWaalsContact CD-NZ 3.32Å; E846-K862 WeakPolarHBondContact OE1-CE 3.15Å; E846-K862 IonicContact OE1-NZ 2.71Å; E846-K862 PolarHBondContact OE1-NZ 2.9Å
847	A	77.3	Confident	77.1	Confident	49 Å²	49	81.3 Å²	81.3	41%	0.405	41%	0.405	S	S	.	.	H	α-helix	trans	-59.7	-43	176.2	0	0	0	0	0	112.3	R843 K844 L849 Y850 Q851	R843-A847 WeakPolarHBondContact O-CB 3.46Å; R843-A847 PolarHBondContact O-N 2.8Å; K844-A847 PolarHBondContact O-N 2.91Å; A847-L849 VanDerWaalsContact C-N 3.34Å; A847-Y850 PolarHBondContact O-N 2.92Å; A847-Q851 WeakPolarHBondContact O-CG 3.49Å; A847-Q851 PolarHBondContact O-N 2.85Å
848	L	79.3	Confident	77.6	Confident	101 Å²	101	79 Å²	79	53%	0.529	39%	0.386	S	S	.	.	H	α-helix	trans	-64.9	-36.9	174.9	-70.6	169.9	0	0	0	112.1	K844 A845 E846 Q851 I852	K844-L848 WeakPolarHBondContact O-CG 3.31Å; K844-L848 PolarHBondContact O-N 2.93Å; K844-L848 VanDerWaalsContact O-N 3.07Å; A845-L848 PolarHBondContact O-N 3.08Å; E846-L848 VanDerWaalsContact C-N 3.34Å; E846-L848 PolarHBondContact O-N 2.8Å; L848-Q851 PolarHBondContact O-N 3.24Å; L848-I852 WeakPolarHBondContact O-CG1 3.47Å; L848-I852 PolarHBondContact O-N 3Å
849	L	79.5	Confident	78	Confident	49 Å²	49	74.8 Å²	74.8	26%	0.257	37%	0.371	S	S	.	.	H	α-helix	trans	-65.1	-41.6	177.9	-172	66.4	0	0	0	111.8	A845 E846 A847 Q851 I852 L853 A858 K862	A845-L849 WeakPolarHBondContact O-CB 3.45Å; A845-L849 PolarHBondContact O-N 3.05Å; E846-L849 WeakPolarHBondContact O-CB 3.47Å; E846-L849 PolarHBondContact O-N 3.47Å; E846-L849 VanDerWaalsContact O-N 3.14Å; A847-L849 VanDerWaalsContact C-N 3.34Å; L849-Q851 VanDerWaalsContact C-N 3.25Å; L849-Q851 PolarHBondContact O-N 2.86Å; L849-I852 PolarHBondContact O-N 2.9Å; L849-L853 HydrophobicContact CD1-CD1 4.11Å; L849-L853 PolarHBondContact O-N 3.04Å; L849-A858 HydrophobicContact CD2-CB 4.01Å; L849-A858 HydrophobicContact CG-CB 4Å; L849-K862 HydrophobicContact CD2-CD 4.2Å; L849-K862 HydrophobicContact CD2-CG 3.96Å
850	Y	78.1	Confident	78.3	Confident	60 Å²	60	74.1 Å²	74.1	24%	0.235	37%	0.366	C	S	.	.	H	α-helix	trans	-69.8	-19.2	176.6	-60.6	-48.9	0	0	0	113.7	E846 A847 H855 A858 E859 K862	E846-Y850 HydrophobicContact CB-CE2 4.1Å; E846-Y850 WeakPolarHBondContact O-CD2 3.46Å; E846-Y850 PolarHBondContact O-N 3.08Å; A847-Y850 PolarHBondContact O-N 2.92Å; Y850-H855 HydrophobicContact CD1-CB 4.49Å; Y850-H855 AromaticContact CD1-CD2 3.58Å; Y850-H855 AromaticContact CD1-CG 3.91Å; Y850-H855 AromaticContact CD1-NE2 3.86Å; Y850-H855 AromaticContact CD2-NE2 3.98Å; Y850-H855 AromaticContact CE1-CD2 3.77Å; Y850-H855 AromaticContact CG-CD2 3.9Å; Y850-H855 AromaticContact CG-NE2 3.67Å; Y850-A858 HydrophobicContact CD1-CB 3.73Å; Y850-A858 HydrophobicContact CE1-CB 3.79Å; Y850-E859 PolarHBondContact OH-OE1 3.02Å; Y850-K862 PolarHBondContact OH-NZ 3.17Å
851	Q	73.4	Confident	78.4	Confident	154 Å²	154	73.5 Å²	73.5	72%	0.72	37%	0.365	S	S	*	.	H	α-helix	trans	-77.1	-23.7	172.3	-72.6	175.4	-0.5	0	0	112.8	A847 L848 L849	A847-Q851 WeakPolarHBondContact O-CG 3.49Å; A847-Q851 PolarHBondContact O-N 2.85Å; L848-Q851 PolarHBondContact O-N 3.24Å; L849-Q851 VanDerWaalsContact C-N 3.25Å; L849-Q851 PolarHBondContact O-N 2.86Å
852	I	76.4	Confident	78.7	Confident	114 Å²	114	70.8 Å²	70.8	59%	0.585	35%	0.351	S	S	*	.	H	α-helix	trans	-100	-35.6	-176.2	-59.9	169.9	0	0	0	111.3	L848 L849	L848-I852 WeakPolarHBondContact O-CG1 3.47Å; L848-I852 PolarHBondContact O-N 3Å; L849-I852 PolarHBondContact O-N 2.9Å
853	L	80.1	Confident	78.9	Confident	1 Å²	1	74.8 Å²	74.8	1%	0.005	36%	0.363	C	S	.	.	S	Bend	trans	-126.2	150.6	-175.6	-65.6	174.9	0	0	0	111.3	L849 A858 L861 P990	L849-L853 HydrophobicContact CD1-CD1 4.11Å; L849-L853 PolarHBondContact O-N 3.04Å; L853-A858 HydrophobicContact CB-CB 4.39Å; L853-L861 HydrophobicContact CD1-CD1 3.41Å; L853-L861 VanDerWaalsContact CD1-CD1 3.41Å; L853-P990 HydrophobicContact CD1-CB 4.35Å; L853-P990 HydrophobicContact CD1-CG 4.14Å
854	P	80.4	Confident	78.8	Confident	8 Å²	8	70.5 Å²	70.5	5%	0.052	37%	0.368	C	S	.	.			trans	-60.4	147.6	173.3	-10.4	20.5	0	0	0	112	S856 V857 A858 Y918 P934 Y992	P854-S856 VanDerWaalsContact C-N 3.32Å; P854-S856 PolarHBondContact O-N 3.08Å; P854-V857 HydrophobicContact CB-CG2 4.4Å; P854-V857 HydrophobicContact CG-CB 4.47Å; P854-V857 HydrophobicContact CG-CG2 4.18Å; P854-V857 PolarHBondContact O-N 2.83Å; P854-A858 WeakPolarHBondContact O-CB 3.46Å; P854-A858 PolarHBondContact O-N 3.02Å; P854-Y918 HydrophobicContact CB-CE2 4.12Å; P854-Y918 WeakPolarHBondContact CD-OH 3.36Å; P854-Y918 HydrophobicContact CG-CD2 4.28Å; P854-Y918 HydrophobicContact CG-CE1 4.21Å; P854-Y918 HydrophobicContact CG-CE2 3.62Å; P854-P934 HydrophobicContact CB-CG 3.64Å; P854-P934 HydrophobicContact CG-CG 4.11Å; P854-Y992 HydrophobicContact CG-CD1 4.28Å; P854-Y992 HydrophobicContact CG-CD2 4.41Å; P854-Y992 HydrophobicContact CG-CG 4.13Å
855	H	82.2	Confident	78.7	Confident	122 Å²	122	68.5 Å²	68.5	57%	0.565	36%	0.361	S	S	*	.	H	α-helix	trans	-53.5	-43.1	-176.2	-80.5	76.5	0	0	0	113.8	Y850 V857 A858 E859	Y850-H855 HydrophobicContact CD1-CB 4.49Å; Y850-H855 AromaticContact CD1-CD2 3.58Å; Y850-H855 AromaticContact CD1-CG 3.91Å; Y850-H855 AromaticContact CD1-NE2 3.86Å; Y850-H855 AromaticContact CD2-NE2 3.98Å; Y850-H855 AromaticContact CE1-CD2 3.77Å; Y850-H855 AromaticContact CG-CD2 3.9Å; Y850-H855 AromaticContact CG-NE2 3.67Å; H855-V857 VanDerWaalsContact C-N 3.33Å; H855-V857 PolarHBondContact O-N 3.25Å; H855-A858 PolarHBondContact O-N 3.27Å; H855-E859 WeakPolarHBondContact O-CG 3.39Å; H855-E859 PolarHBondContact O-N 2.92Å
856	S	79.8	Confident	78.5	Confident	52 Å²	52	71.3 Å²	71.3	36%	0.364	37%	0.372	S	S	.	.	H	α-helix	trans	-62.4	-39.2	179.4	53	0	0	0	0	112.8	P854 Q860	P854-S856 VanDerWaalsContact C-N 3.32Å; P854-S856 PolarHBondContact O-N 3.08Å; S856-Q860 WeakPolarHBondContact O-CG 3.3Å; S856-Q860 PolarHBondContact O-N 3.18Å
857	V	80.8	Confident	78.2	Confident	6 Å²	6	70.6 Å²	70.6	4%	0.036	37%	0.371	C	S	.	.	H	α-helix	trans	-77	-41.3	-179.5	175.7	0	0	0	0	110.9	P854 H855 E859 Q860 L861 V867 V984 Y992	P854-V857 HydrophobicContact CB-CG2 4.4Å; P854-V857 HydrophobicContact CG-CB 4.47Å; P854-V857 HydrophobicContact CG-CG2 4.18Å; P854-V857 PolarHBondContact O-N 2.83Å; H855-V857 VanDerWaalsContact C-N 3.33Å; H855-V857 PolarHBondContact O-N 3.25Å; V857-E859 VanDerWaalsContact C-N 3.34Å; V857-E859 PolarHBondContact O-N 3.47Å; V857-Q860 PolarHBondContact O-N 2.65Å; V857-L861 HydrophobicContact CG1-CD1 4.28Å; V857-L861 WeakPolarHBondContact O-CG 3.37Å; V857-L861 PolarHBondContact O-N 3.4Å; V857-V867 HydrophobicContact CG1-CG1 4.02Å; V857-V867 HydrophobicContact CG1-CG2 3.88Å; V857-V984 HydrophobicContact CG1-CG2 3.42Å; V857-V984 VanDerWaalsContact CG1-CG2 3.42Å; V857-Y992 HydrophobicContact CG2-CD2 4.06Å; V857-Y992 HydrophobicContact CG2-CE2 3.82Å
858	A	82.4	Confident	78.1	Confident	0 Å²	0	76 Å²	76	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-60.9	-40.6	176.5	0	0	0	0	0	112	L849 Y850 L853 P854 H855 L861 K862	L849-A858 HydrophobicContact CD2-CB 4.01Å; L849-A858 HydrophobicContact CG-CB 4Å; Y850-A858 HydrophobicContact CD1-CB 3.73Å; Y850-A858 HydrophobicContact CE1-CB 3.79Å; L853-A858 HydrophobicContact CB-CB 4.39Å; P854-A858 WeakPolarHBondContact O-CB 3.46Å; P854-A858 PolarHBondContact O-N 3.02Å; H855-A858 PolarHBondContact O-N 3.27Å; A858-L861 PolarHBondContact O-N 2.9Å; A858-K862 VanDerWaalsContact O-CG 3.29Å; A858-K862 WeakPolarHBondContact O-CG 3.5Å; A858-K862 PolarHBondContact O-N 3.39Å
859	E	81.7	Confident	78.2	Confident	58 Å²	58	74.6 Å²	74.6	27%	0.271	39%	0.391	S	S	.	.	H	α-helix	trans	-66.6	-38.9	176.4	-77.9	-60.3	132.3	0	0	113.3	Y850 H855 V857 K862 R863	Y850-E859 PolarHBondContact OH-OE1 3.02Å; H855-E859 WeakPolarHBondContact O-CG 3.39Å; H855-E859 PolarHBondContact O-N 2.92Å; V857-E859 VanDerWaalsContact C-N 3.34Å; V857-E859 PolarHBondContact O-N 3.47Å; E859-K862 PolarHBondContact O-N 2.88Å; E859-K862 WeakPolarHBondContact OE1-CD 3.3Å; E859-K862 IonicContact OE1-NZ 2.68Å; E859-K862 PolarHBondContact OE1-NZ 3.48Å; E859-K862 IonicContact OE2-NZ 2.67Å; E859-R863 WeakPolarHBondContact O-CG 3.41Å; E859-R863 PolarHBondContact O-N 3.31Å; E859-R863 VanDerWaalsContact O-N 3.15Å
860	Q	80	Confident	78.5	Confident	75 Å²	75	76.3 Å²	76.3	35%	0.35	40%	0.397	S	S	.	.	H	α-helix	trans	-62.5	-44.5	174.2	-72	174.2	4.3	0	0	111	S856 V857 K862 R863 G864 E865 V867	S856-Q860 WeakPolarHBondContact O-CG 3.3Å; S856-Q860 PolarHBondContact O-N 3.18Å; V857-Q860 PolarHBondContact O-N 2.65Å; Q860-K862 PolarHBondContact O-N 2.98Å; Q860-R863 PolarHBondContact O-N 3.34Å; Q860-R863 VanDerWaalsContact O-N 3.15Å; Q860-G864 PolarHBondContact O-N 3.13Å; Q860-E865 HydrophobicContact CB-CB 4.4Å; Q860-E865 WeakPolarHBondContact O-CB 3.44Å; Q860-E865 PolarHBondContact O-N 3.41Å; Q860-V867 HydrophobicContact CB-CG2 4.22Å
861	L	77.9	Confident	78.9	Confident	66 Å²	66	76.5 Å²	76.5	35%	0.346	41%	0.411	S	S	.	.	H	α-helix	trans	-63.4	-38.8	175.7	-71.9	169.2	0	0	0	112.4	L853 V857 A858 R863 G864 V867	L853-L861 HydrophobicContact CD1-CD1 3.41Å; L853-L861 VanDerWaalsContact CD1-CD1 3.41Å; V857-L861 HydrophobicContact CG1-CD1 4.28Å; V857-L861 WeakPolarHBondContact O-CG 3.37Å; V857-L861 PolarHBondContact O-N 3.4Å; A858-L861 PolarHBondContact O-N 2.9Å; L861-R863 PolarHBondContact O-N 3.23Å; L861-G864 PolarHBondContact O-N 2.98Å; L861-V867 HydrophobicContact CD1-CG2 4.37Å; L861-V867 HydrophobicContact CD2-CG2 3.82Å; L861-V867 HydrophobicContact CG-CG2 3.71Å
862	K	78.2	Confident	79.7	Confident	80 Å²	80	69.3 Å²	69.3	35%	0.348	38%	0.378	S	S	.	.	H	α-helix	trans	-61.7	-30.2	174.9	-76.6	169.7	67.5	-175.8	0	112.9	E846 L849 Y850 A858 E859 Q860 G864	E846-K862 VanDerWaalsContact CD-NZ 3.32Å; E846-K862 WeakPolarHBondContact OE1-CE 3.15Å; E846-K862 IonicContact OE1-NZ 2.71Å; E846-K862 PolarHBondContact OE1-NZ 2.9Å; L849-K862 HydrophobicContact CD2-CD 4.2Å; L849-K862 HydrophobicContact CD2-CG 3.96Å; Y850-K862 PolarHBondContact OH-NZ 3.17Å; A858-K862 VanDerWaalsContact O-CG 3.29Å; A858-K862 WeakPolarHBondContact O-CG 3.5Å; A858-K862 PolarHBondContact O-N 3.39Å; E859-K862 PolarHBondContact O-N 2.88Å; E859-K862 WeakPolarHBondContact OE1-CD 3.3Å; E859-K862 IonicContact OE1-NZ 2.68Å; E859-K862 PolarHBondContact OE1-NZ 3.48Å; E859-K862 IonicContact OE2-NZ 2.67Å; Q860-K862 PolarHBondContact O-N 2.98Å; K862-G864 VanDerWaalsContact C-N 3.26Å
863	R	80	Confident	80.1	Confident	176 Å²	176	69.7 Å²	69.7	66%	0.664	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-3.4	175.7	-67	172.3	-170.2	-176.6	2.8	113.4	E859 Q860 L861 E865	E859-R863 WeakPolarHBondContact O-CG 3.41Å; E859-R863 PolarHBondContact O-N 3.31Å; E859-R863 VanDerWaalsContact O-N 3.15Å; Q860-R863 PolarHBondContact O-N 3.34Å; Q860-R863 VanDerWaalsContact O-N 3.15Å; L861-R863 PolarHBondContact O-N 3.23Å; R863-E865 VanDerWaalsContact C-N 3.26Å; R863-E865 HydrophobicContact CB-CG 4.05Å
864	G	73.7	Confident	80.5	Confident	68 Å²	68	72 Å²	72	70%	0.701	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	16.2	-174.6	0	0	0	0	0	113.4	Q860 L861 K862	Q860-G864 PolarHBondContact O-N 3.13Å; L861-G864 PolarHBondContact O-N 2.98Å; K862-G864 VanDerWaalsContact C-N 3.26Å
865	E	76.9	Confident	81.1	Confident	95 Å²	95	71.7 Å²	71.7	44%	0.444	40%	0.395	S	S	.	.			trans	-81	140.8	177.3	-64	172.1	-167.3	0	0	110.1	Q860 R863 V867	Q860-E865 HydrophobicContact CB-CB 4.4Å; Q860-E865 WeakPolarHBondContact O-CB 3.44Å; Q860-E865 PolarHBondContact O-N 3.41Å; R863-E865 VanDerWaalsContact C-N 3.26Å; R863-E865 HydrophobicContact CB-CG 4.05Å; E865-V867 PolarHBondContact O-N 3.09Å
866	T	71.6	Confident	81.7	Confident	119 Å²	119	65.9 Å²	65.9	73%	0.73	37%	0.368	S	S	*	.			trans	-76.3	119	173.9	54.7	0	0	0	0	109.8	Q868	T866-Q868 PolarHBondContact O-N 3.46Å
867	V	72.4	Confident	82.4	Confident	30 Å²	30	63.4 Å²	63.4	18%	0.182	35%	0.351	C	S	.	.			trans	-71.8	110.7	175.8	-175.4	0	0	0	0	109	V857 Q860 L861 E865 V984	V857-V867 HydrophobicContact CG1-CG1 4.02Å; V857-V867 HydrophobicContact CG1-CG2 3.88Å; Q860-V867 HydrophobicContact CB-CG2 4.22Å; L861-V867 HydrophobicContact CD1-CG2 4.37Å; L861-V867 HydrophobicContact CD2-CG2 3.82Å; L861-V867 HydrophobicContact CG-CG2 3.71Å; E865-V867 PolarHBondContact O-N 3.09Å; V867-V984 HydrophobicContact CB-CB 4.43Å; V867-V984 HydrophobicContact CB-CG2 4.12Å; V867-V984 HydrophobicContact CG1-CB 4.47Å; V867-V984 HydrophobicContact CG1-CG2 3.86Å; V867-V984 HydrophobicContact CG2-CG2 4.4Å
868	Q	74.9	Confident	83	Confident	162 Å²	162	63.1 Å²	63.1	76%	0.757	35%	0.349	S	S	*	.			trans	-83	150.8	176	-64.4	-170.6	-7.1	0	0	110.7	T866	T866-Q868 PolarHBondContact O-N 3.46Å
869	A	81.6	Confident	83.5	Confident	72 Å²	72	63.8 Å²	63.8	60%	0.595	35%	0.352	S	S	*	.			trans	-69.1	131.7	173.9	0	0	0	0	0	110.2	A982	A869-A982 CarbonylContact C-O 3.5Å; A869-A982 WeakPolarHBondContact CA-O 3.35Å
870	E	85.6	Confident	83.9	Confident	85 Å²	85	61 Å²	61	40%	0.397	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	142.5	178.6	-172.2	-179.8	165.2	0	0	110.3	F872 R936 C981 A982	E870-F872 HydrophobicContact CB-CE2 3.78Å; E870-F872 HydrophobicContact CB-CZ 4.11Å; E870-F872 HydrophobicContact CG-CE2 3.98Å; E870-F872 HydrophobicContact CG-CZ 4.02Å; E870-R936 IonicContact OE1-CZ 3.11Å; E870-R936 IonicContact OE1-NE 2.85Å; E870-R936 PolarHBondContact OE1-NE 3.46Å; E870-R936 IonicContact OE1-NH2 3.48Å; E870-R936 PolarHBondContact OE1-NH2 2.93Å; E870-C981 CarbonylContact O-C 3.43Å; E870-C981 WeakPolarHBondContact O-CA 3.21Å; E870-C981 PolarHBondContact O-SG 3.41Å; E870-A982 PolarHBondContact N-O 3.21Å; E870-A982 PolarHBondContact O-N 3.01Å
871	A	87.2	Confident	84.4	Confident	63 Å²	63	58.2 Å²	58.2	52%	0.521	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	126.5	172.6	0	0	0	0	0	110.4	R936	A871-R936 PolarHBondContact O-NH2 2.68Å
872	F	89.1	Confident	84.9	Confident	4 Å²	4	55.3 Å²	55.3	2%	0.018	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	125.6	178	-63.2	-94.7	0	0	0	109.4	E870 V875 L933 R936 P979 V980 A982	E870-F872 HydrophobicContact CB-CE2 3.78Å; E870-F872 HydrophobicContact CB-CZ 4.11Å; E870-F872 HydrophobicContact CG-CE2 3.98Å; E870-F872 HydrophobicContact CG-CZ 4.02Å; F872-V875 HydrophobicContact CB-CG1 3.67Å; F872-V875 HydrophobicContact CG-CG1 4.29Å; F872-L933 HydrophobicContact CD1-CB 4.01Å; F872-L933 HydrophobicContact CD2-CB 4.4Å; F872-L933 HydrophobicContact CE1-CB 3.88Å; F872-L933 HydrophobicContact CE2-CB 4.28Å; F872-L933 HydrophobicContact CG-CB 4.29Å; F872-L933 HydrophobicContact CZ-CB 4.03Å; F872-R936 HydrophobicContact CD1-CG 3.99Å; F872-R936 HydrophobicContact CE1-CG 4.03Å; F872-P979 CarbonylContact O-C 3.55Å; F872-P979 VanDerWaalsContact O-CA 3.24Å; F872-P979 WeakPolarHBondContact O-CA 3.48Å; F872-V980 HydrophobicContact CB-CG1 4.18Å; F872-V980 HydrophobicContact CD2-CG1 4.47Å; F872-V980 PolarHBondContact N-O 3.14Å; F872-V980 PolarHBondContact O-N 3.36Å; F872-A982 HydrophobicContact CD2-CB 4.21Å; F872-A982 HydrophobicContact CE2-CB 3.9Å
873	D	86.7	Confident	85.4	Confident	122 Å²	122	53.8 Å²	53.8	65%	0.652	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	-29.2	-171.9	-54.1	-64.6	0	0	0	113.2	R936 P979	D873-R936 IonicContact OD2-NH1 3.53Å; D873-R936 PolarHBondContact OD2-NH1 3.25Å; D873-P979 WeakPolarHBondContact O-CA 3.22Å; D873-P979 WeakPolarHBondContact O-CB 3.17Å
874	S	88.4	Confident	85.7	Confident	50 Å²	50	47.6 Å²	47.6	35%	0.35	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	116.8	-179.3	-179.5	0	0	0	0	110.2	H941	S874-H941 PolarHBondContact OG-CE1 3.16Å; S874-H941 VanDerWaalsContact OG-CE1 3.24Å; S874-H941 PolarHBondContact OG-NE2 3.29Å
875	V	93	Very high	86.3	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	155	172.5	-58.5	0	0	0	0	109.4	F872 I877 V930 S931 L933 T977 G978 V980	F872-V875 HydrophobicContact CB-CG1 3.67Å; F872-V875 HydrophobicContact CG-CG1 4.29Å; V875-I877 HydrophobicContact CG2-CG1 4.27Å; V875-V930 HydrophobicContact CB-CG2 4.15Å; V875-V930 HydrophobicContact CG2-CG2 4.28Å; V875-S931 WeakPolarHBondContact CB-O 3.44Å; V875-L933 HydrophobicContact CG1-CB 4.38Å; V875-L933 HydrophobicContact CG1-CD2 4.14Å; V875-T977 CarbonylContact O-C 3.36Å; V875-T977 VanDerWaalsContact O-CA 3.26Å; V875-T977 WeakPolarHBondContact O-CA 3.27Å; V875-G978 WeakPolarHBondContact CG2-O 3.44Å; V875-G978 PolarHBondContact N-O 3.33Å; V875-G978 PolarHBondContact O-N 3.19Å; V875-V980 HydrophobicContact CB-CG1 4.38Å; V875-V980 HydrophobicContact CG1-CG1 4.08Å; V875-V980 HydrophobicContact CG2-CB 3.9Å; V875-V980 HydrophobicContact CG2-CG1 3.42Å; V875-V980 VanDerWaalsContact CG2-CG1 3.42Å
876	T	94.3	Very high	86.7	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.4	173.1	-64.4	0	0	0	0	109.9	V930 S931 H941 A942 V945 I975 T977	T876-V930 WeakPolarHBondContact O-CA 3.48Å; T876-V930 WeakPolarHBondContact O-CG2 3.22Å; T876-S931 PolarHBondContact N-O 2.03Å; T876-S931 PolarHBondContact O-N 3.3Å; T876-H941 PolarHBondContact OG1-ND1 3.34Å; T876-A942 WeakPolarHBondContact OG1-CA 3.33Å; T876-V945 HydrophobicContact CG2-CB 3.8Å; T876-V945 HydrophobicContact CG2-CG1 3.82Å; T876-V945 HydrophobicContact CG2-CG2 4.04Å; T876-I975 HydrophobicContact CG2-CG2 3.33Å; T876-T977 PolarHBondContact OG1-OG1 3Å
877	I	93.9	Very high	87.3	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132.3	-179.8	-54.8	-177.9	0	0	0	109.3	V875 F879 M928 V930 I975 H976 L994 T998 V999 A1002	V875-I877 HydrophobicContact CG2-CG1 4.27Å; I877-F879 HydrophobicContact CG2-CD2 3.73Å; I877-F879 HydrophobicContact CG2-CE2 3.56Å; I877-M928 HydrophobicContact CG2-CE 3.91Å; I877-M928 HydrophobicContact CG2-CG 4.44Å; I877-V930 HydrophobicContact CG1-CG2 3.97Å; I877-I975 WeakPolarHBondContact O-CA 3.42Å; I877-H976 PolarHBondContact N-O 2.97Å; I877-H976 PolarHBondContact O-N 3.1Å; I877-H976 VanDerWaalsContact O-N 3.14Å; I877-L994 HydrophobicContact CD1-CD2 4.07Å; I877-T998 HydrophobicContact CD1-CG2 3.79Å; I877-T998 HydrophobicContact CG1-CG2 4.19Å; I877-V999 HydrophobicContact CD1-CB 4.4Å; I877-V999 HydrophobicContact CD1-CG2 3.75Å; I877-A1002 HydrophobicContact CB-CB 3.98Å; I877-A1002 HydrophobicContact CG2-CB 3.96Å
878	Y	93.8	Very high	87.9	Confident	0 Å²	0	43 Å²	43	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131.8	172	173.9	-84.1	0	0	0	109.8	S880 Y927 M928 V929 V945 M948 A949 L952 I973 I975	Y878-S880 WeakPolarHBondContact OH-CB 3.18Å; Y878-Y927 HydrophobicContact CE1-CD1 4.23Å; Y878-M928 WeakPolarHBondContact O-CA 3.37Å; Y878-V929 HydrophobicContact CD1-CB 4.24Å; Y878-V929 HydrophobicContact CD1-CG2 4.39Å; Y878-V929 PolarHBondContact N-O 2.87Å; Y878-V929 PolarHBondContact O-N 2.83Å; Y878-V945 HydrophobicContact CD2-CG1 4.29Å; Y878-M948 HydrophobicContact CD1-CE 3.97Å; Y878-M948 HydrophobicContact CD2-CE 3.42Å; Y878-M948 VanDerWaalsContact CD2-CE 3.42Å; Y878-M948 HydrophobicContact CE1-CE 4.36Å; Y878-M948 HydrophobicContact CE2-CE 3.83Å; Y878-M948 HydrophobicContact CG-CE 3.49Å; Y878-M948 VanDerWaalsContact CG-CE 3.49Å; Y878-A949 HydrophobicContact CD2-CB 4.01Å; Y878-A949 HydrophobicContact CE2-CB 3.68Å; Y878-L952 HydrophobicContact CE1-CD1 4.33Å; Y878-L952 HydrophobicContact CE2-CD1 4.35Å; Y878-I973 HydrophobicContact CD2-CG2 3.71Å; Y878-I973 HydrophobicContact CE2-CB 4.28Å; Y878-I973 HydrophobicContact CE2-CD1 3.99Å; Y878-I973 HydrophobicContact CE2-CG1 4.05Å; Y878-I973 HydrophobicContact CE2-CG2 3.26Å; Y878-I973 WeakPolarHBondContact OH-CD1 3.45Å; Y878-I973 WeakPolarHBondContact OH-CG1 3.31Å; Y878-I975 HydrophobicContact CD2-CD1 4.34Å; Y878-I975 HydrophobicContact CD2-CG1 4.15Å
879	F	92.6	Very high	88.4	Confident	14 Å²	14	37.3 Å²	37.3	6%	0.061	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	135.4	165.8	-87	-89.1	0	0	0	109.3	I877 M928 I973 G974 V999 A1002 E1006	I877-F879 HydrophobicContact CG2-CD2 3.73Å; I877-F879 HydrophobicContact CG2-CE2 3.56Å; F879-M928 HydrophobicContact CD1-CB 4.36Å; F879-M928 HydrophobicContact CD1-CG 4.43Å; F879-M928 HydrophobicContact CE1-CB 4.03Å; F879-M928 HydrophobicContact CE1-CG 3.92Å; F879-M928 HydrophobicContact CE1-SD 3.99Å; F879-M928 HydrophobicContact CE2-CE 4.08Å; F879-M928 HydrophobicContact CE2-CG 4.03Å; F879-M928 HydrophobicContact CE2-SD 4.13Å; F879-M928 HydrophobicContact CZ-CB 4.34Å; F879-M928 HydrophobicContact CZ-CE 3.94Å; F879-M928 HydrophobicContact CZ-CG 3.7Å; F879-M928 HydrophobicContact CZ-SD 3.48Å; F879-M928 WeakPolarHBondContact CZ-SD 3.5Å; F879-I973 CarbonylContact O-C 3.59Å; F879-I973 WeakPolarHBondContact O-CA 3.43Å; F879-G974 PolarHBondContact N-O 3.22Å; F879-G974 PolarHBondContact O-N 3.05Å; F879-V999 HydrophobicContact CE2-CG1 4.07Å; F879-V999 HydrophobicContact CZ-CG1 3.9Å; F879-A1002 HydrophobicContact CD2-CB 3.57Å; F879-A1002 HydrophobicContact CE2-CB 3.93Å; F879-E1006 HydrophobicContact CB-CB 3.7Å; F879-E1006 HydrophobicContact CB-CG 4Å
880	S	90.3	Very high	88.7	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.007	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	152.3	167.1	71.8	0	0	0	0	112.2	Y878 A926 Y927 R972	Y878-S880 WeakPolarHBondContact OH-CB 3.18Å; S880-A926 CarbonylContact O-C 3.58Å; S880-A926 WeakPolarHBondContact O-CA 3.45Å; S880-Y927 PolarHBondContact N-O 2.97Å; S880-Y927 PolarHBondContact O-N 3.2Å; S880-Y927 VanDerWaalsContact OG-CB 3.32Å; S880-Y927 WeakPolarHBondContact OG-CB 3.36Å; S880-R972 CarbonylContact C-O 3.59Å; S880-R972 WeakPolarHBondContact CA-O 3.34Å; S880-R972 WeakPolarHBondContact CB-O 3.33Å
881	D	90.8	Very high	88.7	Confident	15 Å²	15	39.9 Å²	39.9	8%	0.08	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	154.9	177.3	-174.8	40.9	0	0	0	111.7	L971 R972 E1006	D881-L971 WeakPolarHBondContact O-CD1 3.45Å; D881-R972 HydrophobicContact CB-CG 3.92Å; D881-R972 PolarHBondContact N-O 3.06Å; D881-R972 WeakPolarHBondContact O-CG 3.33Å; D881-R972 PolarHBondContact O-N 3.13Å; D881-R972 IonicContact OD2-CZ 3.64Å; D881-R972 IonicContact OD2-NE 2.73Å; D881-R972 PolarHBondContact OD2-NE 3.04Å; D881-R972 IonicContact OD2-NH2 2.75Å; D881-R972 PolarHBondContact OD2-NH2 3.49Å; D881-E1006 HydrophobicContact CB-CG 4.17Å; D881-E1006 WeakPolarHBondContact CB-OE1 2.94Å
882	I	88.8	Confident	88.7	Confident	5 Å²	5	37.5 Å²	37.5	3%	0.026	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	113.8	-178	-60.4	170.1	0	0	0	109.4	G884 F885 L901 L904 D925 L969 L971	I882-G884 PolarHBondContact O-N 3.12Å; I882-G884 VanDerWaalsContact O-N 3.08Å; I882-F885 HydrophobicContact CB-CB 3.94Å; I882-F885 HydrophobicContact CB-CD2 4.39Å; I882-F885 HydrophobicContact CB-CG 4.5Å; I882-F885 HydrophobicContact CD1-CD2 4.01Å; I882-F885 HydrophobicContact CD1-CE2 4.48Å; I882-F885 HydrophobicContact CG2-CB 3.96Å; I882-F885 HydrophobicContact CG2-CD2 4.31Å; I882-F885 WeakPolarHBondContact O-CB 3.47Å; I882-F885 PolarHBondContact O-N 2.9Å; I882-L901 HydrophobicContact CD1-CD2 4.32Å; I882-L904 HydrophobicContact CD1-CD2 3.56Å; I882-L904 HydrophobicContact CG1-CD2 4.24Å; I882-D925 HydrophobicContact CB-CB 4.45Å; I882-D925 HydrophobicContact CD1-CB 4.23Å; I882-D925 HydrophobicContact CG1-CB 4.49Å; I882-L969 HydrophobicContact CD1-CD1 4.44Å; I882-L969 HydrophobicContact CG2-CD1 3.53Å; I882-L969 HydrophobicContact CG2-CG 4.35Å; I882-L971 HydrophobicContact CG1-CD1 4.45Å
883	V	88.4	Confident	88.8	Confident	48 Å²	48	40.7 Å²	40.7	29%	0.291	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	114.5	-179.1	-177.6	0	0	0	0	110.3	R970 R972 A1011	V883-R970 HydrophobicContact CB-CB 4.17Å; V883-R970 PolarHBondContact N-O 3.05Å; V883-R972 HydrophobicContact CG2-CB 3.92Å; V883-R972 HydrophobicContact CG2-CG 3.83Å; V883-A1011 HydrophobicContact CG2-CB 4.11Å
884	G	85.3	Confident	88.8	Confident	47 Å²	47	40.1 Å²	40.1	49%	0.485	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	13	178.5	0	0	0	0	0	114.5	I882 T886 A887 L888	I882-G884 PolarHBondContact O-N 3.12Å; I882-G884 VanDerWaalsContact O-N 3.08Å; G884-T886 VanDerWaalsContact C-N 3.29Å; G884-T886 PolarHBondContact O-N 2.71Å; G884-A887 PolarHBondContact O-N 3.43Å; G884-A887 VanDerWaalsContact O-N 3.15Å; G884-L888 PolarHBondContact O-N 3Å; G884-L888 VanDerWaalsContact O-N 3.07Å
885	F	86.9	Confident	88.7	Confident	25 Å²	25	44.5 Å²	44.5	11%	0.11	28%	0.279	C	S	.	.	H	α-helix	trans	-55.4	-40.2	179.1	-177.4	-104.3	0	0	0	113.7	I882 A887 L888 S889 V897 L901 D925	I882-F885 HydrophobicContact CB-CB 3.94Å; I882-F885 HydrophobicContact CB-CD2 4.39Å; I882-F885 HydrophobicContact CB-CG 4.5Å; I882-F885 HydrophobicContact CD1-CD2 4.01Å; I882-F885 HydrophobicContact CD1-CE2 4.48Å; I882-F885 HydrophobicContact CG2-CB 3.96Å; I882-F885 HydrophobicContact CG2-CD2 4.31Å; I882-F885 WeakPolarHBondContact O-CB 3.47Å; I882-F885 PolarHBondContact O-N 2.9Å; F885-A887 VanDerWaalsContact C-N 3.29Å; F885-A887 PolarHBondContact O-N 2.8Å; F885-L888 CarbonylContact O-C 3.54Å; F885-L888 PolarHBondContact O-N 3.33Å; F885-L888 VanDerWaalsContact O-N 3.14Å; F885-S889 WeakPolarHBondContact O-CB 3.45Å; F885-S889 PolarHBondContact O-N 3.49Å; F885-S889 PolarHBondContact O-OG 3.29Å; F885-V897 HydrophobicContact CE2-CG1 4.24Å; F885-V897 HydrophobicContact CZ-CG1 3.86Å; F885-L901 HydrophobicContact CE2-CD2 3.85Å; F885-L901 HydrophobicContact CE2-CG 4.32Å; F885-L901 HydrophobicContact CZ-CD1 4.13Å; F885-L901 HydrophobicContact CZ-CD2 4.16Å; F885-L901 HydrophobicContact CZ-CG 4.41Å; F885-D925 HydrophobicContact CB-CB 4.12Å; F885-D925 WeakPolarHBondContact CB-OD2 3.5Å; F885-D925 HydrophobicContact CD1-CB 3.5Å; F885-D925 VanDerWaalsContact CD1-CB 3.5Å; F885-D925 VanDerWaalsContact CD1-CG 3.46Å; F885-D925 WeakPolarHBondContact CD1-OD2 3.46Å; F885-D925 HydrophobicContact CD2-CB 3.98Å; F885-D925 HydrophobicContact CE1-CB 3.83Å; F885-D925 HydrophobicContact CE2-CB 4.28Å; F885-D925 HydrophobicContact CG-CB 3.58Å; F885-D925 VanDerWaalsContact CG-OD2 3.25Å; F885-D925 WeakPolarHBondContact CG-OD2 3.28Å; F885-D925 HydrophobicContact CZ-CB 4.21Å
886	T	85.4	Confident	88.5	Confident	112 Å²	112	48 Å²	48	69%	0.687	30%	0.295	S	S	*	.	H	α-helix	trans	-57.7	-42.8	178.6	-45.7	0	0	0	0	111.7	G884 S889 A890	G884-T886 VanDerWaalsContact C-N 3.29Å; G884-T886 PolarHBondContact O-N 2.71Å; T886-S889 PolarHBondContact O-OG 2.96Å; T886-A890 WeakPolarHBondContact O-CB 3.47Å; T886-A890 PolarHBondContact O-N 2.98Å; T886-A890 VanDerWaalsContact O-N 3.09Å
887	A	84.6	Confident	88.2	Confident	58 Å²	58	49 Å²	49	48%	0.479	30%	0.301	S	S	.	.	H	α-helix	trans	-68	-43.9	176	0	0	0	0	0	111.4	G884 F885 S889 A890 E891	G884-A887 PolarHBondContact O-N 3.43Å; G884-A887 VanDerWaalsContact O-N 3.15Å; F885-A887 VanDerWaalsContact C-N 3.29Å; F885-A887 PolarHBondContact O-N 2.8Å; A887-S889 VanDerWaalsContact C-N 3.33Å; A887-S889 PolarHBondContact O-N 3.27Å; A887-A890 PolarHBondContact O-N 3.24Å; A887-E891 PolarHBondContact O-N 2.95Å
888	L	84.1	Confident	87.8	Confident	21 Å²	21	52.6 Å²	52.6	11%	0.11	32%	0.323	C	S	.	.	H	α-helix	trans	-60.3	-41.8	177.5	-170.5	151.2	0	0	0	112.1	G884 F885 E891 S892 L900 I961	G884-L888 PolarHBondContact O-N 3Å; G884-L888 VanDerWaalsContact O-N 3.07Å; F885-L888 CarbonylContact O-C 3.54Å; F885-L888 PolarHBondContact O-N 3.33Å; F885-L888 VanDerWaalsContact O-N 3.14Å; L888-E891 PolarHBondContact O-N 2.99Å; L888-S892 VanDerWaalsContact O-CB 3.32Å; L888-S892 WeakPolarHBondContact O-CB 3.24Å; L888-S892 PolarHBondContact O-N 2.95Å; L888-S892 PolarHBondContact O-OG 3.01Å; L888-L900 HydrophobicContact CD1-CD2 4.41Å; L888-L900 HydrophobicContact CD2-CD2 3.47Å; L888-L900 VanDerWaalsContact CD2-CD2 3.47Å; L888-I961 HydrophobicContact CD1-CD1 4.01Å
889	S	86.6	Confident	87.4	Confident	41 Å²	41	55.1 Å²	55.1	29%	0.287	34%	0.339	S	S	.	.	H	α-helix	trans	-71	-30.6	178.4	71.4	0	0	0	0	113	F885 T886 A887 E891	F885-S889 WeakPolarHBondContact O-CB 3.45Å; F885-S889 PolarHBondContact O-N 3.49Å; F885-S889 PolarHBondContact O-OG 3.29Å; T886-S889 PolarHBondContact O-OG 2.96Å; A887-S889 VanDerWaalsContact C-N 3.33Å; A887-S889 PolarHBondContact O-N 3.27Å; S889-E891 VanDerWaalsContact C-N 3.32Å
890	A	86.8	Confident	87.1	Confident	85 Å²	85	54.7 Å²	54.7	70%	0.702	34%	0.337	S	S	*	.	H	α-helix	trans	-71.5	-28.5	177.5	0	0	0	0	0	112.6	T886 A887	T886-A890 WeakPolarHBondContact O-CB 3.47Å; T886-A890 PolarHBondContact O-N 2.98Å; T886-A890 VanDerWaalsContact O-N 3.09Å; A887-A890 PolarHBondContact O-N 3.24Å
891	E	86.4	Confident	87	Confident	126 Å²	126	56 Å²	56	59%	0.589	34%	0.344	S	S	*	.	H	α-helix	trans	-99.5	-3.2	-178.9	-59.4	178.5	-179.8	0	0	114.2	A887 L888 S889 R964	A887-E891 PolarHBondContact O-N 2.95Å; L888-E891 PolarHBondContact O-N 2.99Å; S889-E891 VanDerWaalsContact C-N 3.32Å; E891-R964 IonicContact OE2-CZ 2.93Å; E891-R964 VanDerWaalsContact OE2-CZ 3.28Å; E891-R964 IonicContact OE2-NH1 3.32Å; E891-R964 PolarHBondContact OE2-NH1 3.35Å; E891-R964 IonicContact OE2-NH2 3.15Å; E891-R964 PolarHBondContact OE2-NH2 2.8Å
892	S	86.8	Confident	86.8	Confident	13 Å²	13	59.8 Å²	59.8	9%	0.091	36%	0.364	C	S	.	.	S	Bend	trans	-112.2	150.8	179.5	-74.7	0	0	0	0	111.2	L888 H963	L888-S892 VanDerWaalsContact O-CB 3.32Å; L888-S892 WeakPolarHBondContact O-CB 3.24Å; L888-S892 PolarHBondContact O-N 2.95Å; L888-S892 PolarHBondContact O-OG 3.01Å; S892-H963 PolarHBondContact OG-CD2 2.84Å; S892-H963 PolarHBondContact OG-NE2 2.77Å
893	T	90.3	Very high	86.7	Confident	71 Å²	71	61.4 Å²	61.4	44%	0.436	37%	0.372	S	S	.	.			trans	-70.2	151.4	174.8	63.2	0	0	0	0	110.8	M895 Q896 V897	T893-M895 PolarHBondContact O-N 2.79Å; T893-M895 VanDerWaalsContact O-N 3.13Å; T893-Q896 WeakPolarHBondContact O-CB 3.48Å; T893-Q896 PolarHBondContact O-N 2.85Å; T893-Q896 WeakPolarHBondContact OG1-CB 3.38Å; T893-Q896 WeakPolarHBondContact OG1-CG 3.34Å; T893-Q896 PolarHBondContact OG1-N 3.38Å; T893-Q896 PolarHBondContact OG1-OE1 3.38Å; T893-V897 PolarHBondContact O-N 2.96Å
894	P	87.9	Confident	86.7	Confident	110 Å²	110	59.1 Å²	59.1	71%	0.714	36%	0.359	S	S	*	.	H	α-helix	trans	-53.1	-38.1	178.6	-29.3	35.6	0	0	0	113.7	V897 V898	P894-V897 PolarHBondContact O-N 2.96Å; P894-V898 WeakPolarHBondContact O-CG2 3.41Å; P894-V898 PolarHBondContact O-N 2.81Å
895	M	86.4	Confident	86.8	Confident	142 Å²	142	58.1 Å²	58.1	70%	0.7	34%	0.341	S	S	*	.	H	α-helix	trans	-66.8	-39	178	-168	59.8	68.9	0	0	112.2	T893 V898 T899	T893-M895 PolarHBondContact O-N 2.79Å; T893-M895 VanDerWaalsContact O-N 3.13Å; M895-V898 PolarHBondContact O-N 3.39Å; M895-T899 WeakPolarHBondContact O-CB 3.44Å; M895-T899 PolarHBondContact O-N 3.43Å; M895-T899 PolarHBondContact O-OG1 3.42Å
896	Q	88.5	Confident	86.8	Confident	75 Å²	75	61.3 Å²	61.3	35%	0.35	36%	0.362	S	S	.	.	H	α-helix	trans	-67.8	-37	176	-73.8	165	-30.7	0	0	112	T893 T899 L900 H963	T893-Q896 WeakPolarHBondContact O-CB 3.48Å; T893-Q896 PolarHBondContact O-N 2.85Å; T893-Q896 WeakPolarHBondContact OG1-CB 3.38Å; T893-Q896 WeakPolarHBondContact OG1-CG 3.34Å; T893-Q896 PolarHBondContact OG1-N 3.38Å; T893-Q896 PolarHBondContact OG1-OE1 3.38Å; Q896-T899 PolarHBondContact O-N 3.01Å; Q896-L900 WeakPolarHBondContact O-CB 3.37Å; Q896-L900 PolarHBondContact O-N 3.28Å; Q896-H963 HydrophobicContact CG-CB 4.38Å
897	V	86.7	Confident	86.9	Confident	20 Å²	20	57.8 Å²	57.8	12%	0.121	34%	0.342	C	S	.	.	H	α-helix	trans	-65.4	-44.9	174.4	177.9	0	0	0	0	110.8	F885 T893 P894 T899 L900 L901	F885-V897 HydrophobicContact CE2-CG1 4.24Å; F885-V897 HydrophobicContact CZ-CG1 3.86Å; T893-V897 PolarHBondContact O-N 2.96Å; P894-V897 PolarHBondContact O-N 2.96Å; V897-T899 VanDerWaalsContact C-N 3.31Å; V897-T899 PolarHBondContact O-N 3.17Å; V897-L900 PolarHBondContact O-N 2.95Å; V897-L901 HydrophobicContact CG1-CD1 4.16Å; V897-L901 HydrophobicContact CG1-CG 4.48Å; V897-L901 WeakPolarHBondContact O-CG 3.47Å; V897-L901 PolarHBondContact O-N 3.02Å
898	V	86.3	Confident	87.2	Confident	75 Å²	75	55.1 Å²	55.1	46%	0.455	32%	0.319	S	S	.	.	H	α-helix	trans	-60.3	-42.8	175.2	171.1	0	0	0	0	111.1	P894 M895 L901 N902	P894-V898 WeakPolarHBondContact O-CG2 3.41Å; P894-V898 PolarHBondContact O-N 2.81Å; M895-V898 PolarHBondContact O-N 3.39Å; V898-L901 PolarHBondContact O-N 2.93Å; V898-N902 WeakPolarHBondContact O-CB 3.43Å; V898-N902 VanDerWaalsContact O-CG 3.26Å; V898-N902 PolarHBondContact O-N 3.34Å; V898-N902 PolarHBondContact O-ND2 3.06Å
899	T	85.9	Confident	87.3	Confident	54 Å²	54	56.5 Å²	56.5	33%	0.331	33%	0.327	S	S	.	.	H	α-helix	trans	-64.7	-42.5	179.1	-54.6	0	0	0	0	111.2	M895 Q896 V897 N902 D903	M895-T899 WeakPolarHBondContact O-CB 3.44Å; M895-T899 PolarHBondContact O-N 3.43Å; M895-T899 PolarHBondContact O-OG1 3.42Å; Q896-T899 PolarHBondContact O-N 3.01Å; V897-T899 VanDerWaalsContact C-N 3.31Å; V897-T899 PolarHBondContact O-N 3.17Å; T899-N902 PolarHBondContact O-N 3.3Å; T899-D903 WeakPolarHBondContact O-CB 3.31Å; T899-D903 PolarHBondContact O-N 3.41Å
900	L	86.6	Confident	87.4	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.021	34%	0.336	C	S	.	.	H	α-helix	trans	-61.6	-48.9	176.1	170.4	62.2	0	0	0	112.2	L888 Q896 V897 N902 D903 L904 F959 I961	L888-L900 HydrophobicContact CD1-CD2 4.41Å; L888-L900 HydrophobicContact CD2-CD2 3.47Å; L888-L900 VanDerWaalsContact CD2-CD2 3.47Å; Q896-L900 WeakPolarHBondContact O-CB 3.37Å; Q896-L900 PolarHBondContact O-N 3.28Å; V897-L900 PolarHBondContact O-N 2.95Å; L900-N902 VanDerWaalsContact C-N 3.34Å; L900-D903 PolarHBondContact O-N 3.25Å; L900-L904 WeakPolarHBondContact O-CB 3.35Å; L900-L904 PolarHBondContact O-N 2.79Å; L900-F959 HydrophobicContact CD1-CE1 3.8Å; L900-F959 HydrophobicContact CD1-CZ 4.19Å; L900-I961 HydrophobicContact CD1-CB 4.46Å; L900-I961 HydrophobicContact CD1-CG1 3.96Å; L900-I961 HydrophobicContact CD1-CG2 4.15Å
901	L	87.3	Confident	87.5	Confident	29 Å²	29	54.4 Å²	54.4	15%	0.152	31%	0.31	C	S	.	.	H	α-helix	trans	-63.4	-41.4	179.1	-70.7	175.6	0	0	0	111.2	I882 F885 V897 V898 L904 Y905	I882-L901 HydrophobicContact CD1-CD2 4.32Å; F885-L901 HydrophobicContact CE2-CD2 3.85Å; F885-L901 HydrophobicContact CE2-CG 4.32Å; F885-L901 HydrophobicContact CZ-CD1 4.13Å; F885-L901 HydrophobicContact CZ-CD2 4.16Å; F885-L901 HydrophobicContact CZ-CG 4.41Å; V897-L901 HydrophobicContact CG1-CD1 4.16Å; V897-L901 HydrophobicContact CG1-CG 4.48Å; V897-L901 WeakPolarHBondContact O-CG 3.47Å; V897-L901 PolarHBondContact O-N 3.02Å; V898-L901 PolarHBondContact O-N 2.93Å; L901-L904 PolarHBondContact O-N 3.31Å; L901-Y905 HydrophobicContact CB-CD2 4.21Å; L901-Y905 HydrophobicContact CB-CE2 3.95Å; L901-Y905 HydrophobicContact CD2-CE2 4.09Å; L901-Y905 HydrophobicContact CG-CE2 4.48Å; L901-Y905 WeakPolarHBondContact O-CB 3.48Å; L901-Y905 WeakPolarHBondContact O-CD2 3.29Å; L901-Y905 VanDerWaalsContact O-CG 3.26Å; L901-Y905 PolarHBondContact O-N 3.05Å
902	N	86.6	Confident	87.6	Confident	95 Å²	95	49 Å²	49	51%	0.508	28%	0.284	S	S	.	.	H	α-helix	trans	-63.5	-45.6	176.2	-75.5	-14.8	0	0	0	112.1	V898 T899 L900 L904 T906	V898-N902 WeakPolarHBondContact O-CB 3.43Å; V898-N902 VanDerWaalsContact O-CG 3.26Å; V898-N902 PolarHBondContact O-N 3.34Å; V898-N902 PolarHBondContact O-ND2 3.06Å; T899-N902 PolarHBondContact O-N 3.3Å; L900-N902 VanDerWaalsContact C-N 3.34Å; N902-L904 VanDerWaalsContact C-N 3.33Å; N902-L904 PolarHBondContact O-N 3.04Å; N902-T906 VanDerWaalsContact O-CB 3.26Å; N902-T906 WeakPolarHBondContact O-CB 3.37Å; N902-T906 PolarHBondContact O-N 2.79Å; N902-T906 PolarHBondContact O-OG1 3.31Å
903	D	87	Confident	87.6	Confident	38 Å²	38	54.7 Å²	54.7	20%	0.203	31%	0.314	C	S	.	.	H	α-helix	trans	-61.2	-43	176.9	-78.1	-20.8	0	0	0	111.2	T899 L900 C907 F959 R962	T899-D903 WeakPolarHBondContact O-CB 3.31Å; T899-D903 PolarHBondContact O-N 3.41Å; L900-D903 PolarHBondContact O-N 3.25Å; D903-C907 WeakPolarHBondContact O-CB 3.46Å; D903-C907 PolarHBondContact O-N 3.27Å; D903-C907 VanDerWaalsContact O-N 3.11Å; D903-F959 HydrophobicContact CB-CE2 4Å; D903-F959 HydrophobicContact CB-CZ 3.82Å; D903-R962 IonicContact OD1-CZ 3.68Å; D903-R962 IonicContact OD1-NE 3.31Å; D903-R962 IonicContact OD1-NH2 2.77Å; D903-R962 PolarHBondContact OD1-NH2 2.98Å; D903-R962 IonicContact OD2-CZ 3.19Å; D903-R962 IonicContact OD2-NE 2.67Å; D903-R962 PolarHBondContact OD2-NE 3.15Å; D903-R962 IonicContact OD2-NH2 2.78Å; D903-R962 PolarHBondContact OD2-NH2 3.39Å
904	L	87.6	Confident	87.5	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-67.1	-48.8	179.2	-177	65.8	0	0	0	111.8	I882 L900 L901 N902 T906 C907 F908 F959 L969	I882-L904 HydrophobicContact CD1-CD2 3.56Å; I882-L904 HydrophobicContact CG1-CD2 4.24Å; L900-L904 WeakPolarHBondContact O-CB 3.35Å; L900-L904 PolarHBondContact O-N 2.79Å; L901-L904 PolarHBondContact O-N 3.31Å; N902-L904 VanDerWaalsContact C-N 3.33Å; N902-L904 PolarHBondContact O-N 3.04Å; L904-T906 VanDerWaalsContact C-N 3.34Å; L904-T906 PolarHBondContact O-N 3.09Å; L904-C907 WeakPolarHBondContact O-CB 3.39Å; L904-C907 PolarHBondContact O-N 3.42Å; L904-F908 HydrophobicContact CD1-CD1 4.14Å; L904-F908 HydrophobicContact CD1-CE1 3.47Å; L904-F908 VanDerWaalsContact CD1-CE1 3.47Å; L904-F908 HydrophobicContact CD1-CE2 4.41Å; L904-F908 HydrophobicContact CD1-CZ 3.64Å; L904-F908 HydrophobicContact CD2-CE2 4.48Å; L904-F908 HydrophobicContact CD2-CZ 4.33Å; L904-F908 HydrophobicContact CG-CD1 4.46Å; L904-F908 HydrophobicContact CG-CE1 4.08Å; L904-F908 HydrophobicContact CG-CE2 4.24Å; L904-F908 HydrophobicContact CG-CZ 3.96Å; L904-F908 WeakPolarHBondContact O-CD1 3.44Å; L904-F908 WeakPolarHBondContact O-CG 3.41Å; L904-F908 PolarHBondContact O-N 3.2Å; L904-F959 HydrophobicContact CB-CZ 4.09Å; L904-F959 HydrophobicContact CD1-CD1 4.38Å; L904-F959 HydrophobicContact CD1-CE1 4.31Å; L904-F959 HydrophobicContact CD1-CZ 4.39Å; L904-L969 HydrophobicContact CD1-CD2 3.47Å; L904-L969 VanDerWaalsContact CD1-CD2 3.47Å; L904-L969 HydrophobicContact CD2-CD2 3.76Å; L904-L969 HydrophobicContact CG-CD2 4.24Å
905	Y	87.7	Confident	87.6	Confident	26 Å²	26	54.6 Å²	54.6	10%	0.102	30%	0.302	C	S	.	.	H	α-helix	trans	-69	-32.1	179.8	-64.9	-38.2	0	0	0	112.2	L901 C907 F908 D909 T922 G924 Y927	L901-Y905 HydrophobicContact CB-CD2 4.21Å; L901-Y905 HydrophobicContact CB-CE2 3.95Å; L901-Y905 HydrophobicContact CD2-CE2 4.09Å; L901-Y905 HydrophobicContact CG-CE2 4.48Å; L901-Y905 WeakPolarHBondContact O-CB 3.48Å; L901-Y905 WeakPolarHBondContact O-CD2 3.29Å; L901-Y905 VanDerWaalsContact O-CG 3.26Å; L901-Y905 PolarHBondContact O-N 3.05Å; Y905-C907 VanDerWaalsContact C-N 3.31Å; Y905-C907 PolarHBondContact O-N 3.25Å; Y905-F908 HydrophobicContact CD1-CD2 4.39Å; Y905-F908 PolarHBondContact O-N 3.47Å; Y905-D909 VanDerWaalsContact O-CB 3.23Å; Y905-D909 WeakPolarHBondContact O-CB 3.31Å; Y905-D909 PolarHBondContact O-N 3.05Å; Y905-T922 HydrophobicContact CE1-CG2 4.24Å; Y905-T922 HydrophobicContact CE2-CG2 4.46Å; Y905-G924 PolarHBondContact OH-O 3.11Å; Y905-Y927 AromaticContact CD1-CD2 3.6Å; Y905-Y927 HydrophobicContact CD1-CD2 3.6Å; Y905-Y927 AromaticContact CD1-CE2 3.87Å; Y905-Y927 HydrophobicContact CD1-CE2 3.87Å; Y905-Y927 AromaticContact CE1-CD2 3.61Å; Y905-Y927 HydrophobicContact CE1-CD2 3.61Å; Y905-Y927 HydrophobicContact CE1-CE2 4.33Å; Y905-Y927 HydrophobicContact CE1-CG 4.41Å
906	T	87.4	Confident	87.7	Confident	92 Å²	92	52 Å²	52	56%	0.564	29%	0.291	S	S	*	.	H	α-helix	trans	-62.8	-41.1	171	-56.2	0	0	0	0	111	N902 L904 A910	N902-T906 VanDerWaalsContact O-CB 3.26Å; N902-T906 WeakPolarHBondContact O-CB 3.37Å; N902-T906 PolarHBondContact O-N 2.79Å; N902-T906 PolarHBondContact O-OG1 3.31Å; L904-T906 VanDerWaalsContact C-N 3.34Å; L904-T906 PolarHBondContact O-N 3.09Å; T906-A910 WeakPolarHBondContact O-CB 3.49Å; T906-A910 PolarHBondContact O-N 3.23Å; T906-A910 VanDerWaalsContact O-N 3.1Å
907	C	87.8	Confident	87.7	Confident	38 Å²	38	49.7 Å²	49.7	26%	0.257	28%	0.282	S	S	.	.	H	α-helix	trans	-64.8	-40.7	174.7	-176.5	0	0	0	0	111.7	D903 L904 Y905 V911 F959	D903-C907 WeakPolarHBondContact O-CB 3.46Å; D903-C907 PolarHBondContact O-N 3.27Å; D903-C907 VanDerWaalsContact O-N 3.11Å; L904-C907 WeakPolarHBondContact O-CB 3.39Å; L904-C907 PolarHBondContact O-N 3.42Å; Y905-C907 VanDerWaalsContact C-N 3.31Å; Y905-C907 PolarHBondContact O-N 3.25Å; C907-V911 WeakPolarHBondContact O-CG2 3.33Å; C907-V911 PolarHBondContact O-N 3.49Å; C907-F959 HydrophobicContact CB-CD2 4.48Å
908	F	90.2	Very high	87.8	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.009	28%	0.284	C	S	.	.	H	α-helix	trans	-69.2	-44.9	178.5	-73.1	8.4	0	0	0	111.8	L904 Y905 A910 V911 I912 Y927 L952 V956 L971	L904-F908 HydrophobicContact CD1-CD1 4.14Å; L904-F908 HydrophobicContact CD1-CE1 3.47Å; L904-F908 VanDerWaalsContact CD1-CE1 3.47Å; L904-F908 HydrophobicContact CD1-CE2 4.41Å; L904-F908 HydrophobicContact CD1-CZ 3.64Å; L904-F908 HydrophobicContact CD2-CE2 4.48Å; L904-F908 HydrophobicContact CD2-CZ 4.33Å; L904-F908 HydrophobicContact CG-CD1 4.46Å; L904-F908 HydrophobicContact CG-CE1 4.08Å; L904-F908 HydrophobicContact CG-CE2 4.24Å; L904-F908 HydrophobicContact CG-CZ 3.96Å; L904-F908 WeakPolarHBondContact O-CD1 3.44Å; L904-F908 WeakPolarHBondContact O-CG 3.41Å; L904-F908 PolarHBondContact O-N 3.2Å; Y905-F908 HydrophobicContact CD1-CD2 4.39Å; Y905-F908 PolarHBondContact O-N 3.47Å; F908-A910 VanDerWaalsContact C-N 3.3Å; F908-A910 PolarHBondContact O-N 3.25Å; F908-V911 PolarHBondContact O-N 2.69Å; F908-I912 WeakPolarHBondContact O-CG1 3.46Å; F908-I912 WeakPolarHBondContact O-CG2 3.47Å; F908-I912 PolarHBondContact O-N 3.46Å; F908-Y927 HydrophobicContact CB-CE1 4.09Å; F908-Y927 HydrophobicContact CB-CE2 4.37Å; F908-Y927 AromaticContact CD2-CD1 3.8Å; F908-Y927 HydrophobicContact CD2-CD1 3.8Å; F908-Y927 HydrophobicContact CD2-CD2 4.14Å; F908-Y927 HydrophobicContact CD2-CE1 4.05Å; F908-Y927 HydrophobicContact CD2-CE2 4.38Å; F908-Y927 AromaticContact CD2-CG 3.86Å; F908-Y927 HydrophobicContact CD2-CG 3.86Å; F908-Y927 HydrophobicContact CE2-CD1 4.48Å; F908-Y927 HydrophobicContact CE2-CG 4.41Å; F908-L952 HydrophobicContact CB-CD2 3.93Å; F908-L952 HydrophobicContact CD1-CD2 3.54Å; F908-L952 HydrophobicContact CD2-CD2 4.38Å; F908-L952 HydrophobicContact CE1-CD2 4.09Å; F908-L952 HydrophobicContact CG-CD2 3.7Å; F908-V956 HydrophobicContact CE1-CG2 3.55Å; F908-V956 HydrophobicContact CZ-CG2 3.75Å; F908-L971 HydrophobicContact CE2-CD1 4.46Å; F908-L971 HydrophobicContact CZ-CD1 4.26Å; F908-L971 HydrophobicContact CZ-CD2 4.04Å
909	D	87.5	Confident	87.8	Confident	49 Å²	49	50.2 Å²	50.2	26%	0.262	28%	0.276	S	S	.	.	H	α-helix	trans	-55.5	-45.7	176.9	-73	-19.6	0	0	0	110.2	Y905 V911 I912 D913 K919 Y927	Y905-D909 VanDerWaalsContact O-CB 3.23Å; Y905-D909 WeakPolarHBondContact O-CB 3.31Å; Y905-D909 PolarHBondContact O-N 3.05Å; D909-V911 VanDerWaalsContact C-N 3.29Å; D909-V911 PolarHBondContact O-N 2.87Å; D909-I912 WeakPolarHBondContact O-CG1 3.26Å; D909-I912 PolarHBondContact O-N 3.1Å; D909-D913 PolarHBondContact O-N 3.11Å; D909-D913 VanDerWaalsContact O-N 3.14Å; D909-K919 VanDerWaalsContact CG-NZ 3.31Å; D909-K919 IonicContact OD1-NZ 3.67Å; D909-K919 PolarHBondContact OD1-NZ 3.08Å; D909-K919 IonicContact OD2-NZ 2.72Å; D909-K919 PolarHBondContact OD2-NZ 3.34Å; D909-Y927 PolarHBondContact OD1-OH 3.5Å
910	A	88.1	Confident	87.6	Confident	59 Å²	59	48.7 Å²	48.7	49%	0.488	27%	0.266	S	S	.	.	H	α-helix	trans	-63.6	-29.4	176.1	0	0	0	0	0	114.4	T906 F908 N914	T906-A910 WeakPolarHBondContact O-CB 3.49Å; T906-A910 PolarHBondContact O-N 3.23Å; T906-A910 VanDerWaalsContact O-N 3.1Å; F908-A910 VanDerWaalsContact C-N 3.3Å; F908-A910 PolarHBondContact O-N 3.25Å; A910-N914 PolarHBondContact O-ND2 3.2Å; A910-N914 VanDerWaalsContact O-ND2 3.12Å
911	V	87.9	Confident	86.9	Confident	24 Å²	24	51.4 Å²	51.4	15%	0.145	28%	0.279	C	S	.	.	H	α-helix	trans	-78.2	-44.8	176.8	173.3	0	0	0	0	110.4	C907 F908 D909 D913 N914 F915 A951 L952 A955	C907-V911 WeakPolarHBondContact O-CG2 3.33Å; C907-V911 PolarHBondContact O-N 3.49Å; F908-V911 PolarHBondContact O-N 2.69Å; D909-V911 VanDerWaalsContact C-N 3.29Å; D909-V911 PolarHBondContact O-N 2.87Å; V911-D913 VanDerWaalsContact C-N 3.32Å; V911-D913 PolarHBondContact O-N 3.29Å; V911-N914 PolarHBondContact O-N 3.34Å; V911-N914 PolarHBondContact O-ND2 3.22Å; V911-F915 HydrophobicContact CG1-CE2 4.02Å; V911-F915 WeakPolarHBondContact O-CD2 3.42Å; V911-F915 WeakPolarHBondContact O-CE2 3.41Å; V911-A951 HydrophobicContact CG1-CB 3.85Å; V911-L952 HydrophobicContact CB-CD2 3.8Å; V911-L952 HydrophobicContact CG1-CD2 3.81Å; V911-L952 HydrophobicContact CG1-CG 3.97Å; V911-L952 HydrophobicContact CG2-CD2 4.29Å; V911-A955 HydrophobicContact CG2-CB 4.27Å
912	I	89.6	Confident	85.7	Confident	11 Å²	11	52.9 Å²	52.9	6%	0.056	29%	0.289	C	S	.	.	H	α-helix	trans	-69.1	-27.4	-176	63.9	162.1	0	0	0	113.4	F908 D909 N914 F915 V917 K919 Y927 M948	F908-I912 WeakPolarHBondContact O-CG1 3.46Å; F908-I912 WeakPolarHBondContact O-CG2 3.47Å; F908-I912 PolarHBondContact O-N 3.46Å; D909-I912 WeakPolarHBondContact O-CG1 3.26Å; D909-I912 PolarHBondContact O-N 3.1Å; I912-N914 PolarHBondContact O-N 2.95Å; I912-F915 PolarHBondContact O-N 2.87Å; I912-V917 HydrophobicContact CB-CG2 3.74Å; I912-V917 HydrophobicContact CG2-CG2 4.27Å; I912-K919 HydrophobicContact CD1-CB 4.19Å; I912-Y927 VanDerWaalsContact CD1-OH 3.28Å; I912-Y927 WeakPolarHBondContact CD1-OH 3.47Å; I912-Y927 HydrophobicContact CG2-CE1 4.35Å; I912-M948 HydrophobicContact CG2-CG 3.95Å; I912-M948 HydrophobicContact CG2-SD 3.63Å
913	D	86.5	Confident	84.6	Confident	134 Å²	134	53.8 Å²	53.8	72%	0.717	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-18.5	176.4	-79.6	-14.6	0	0	0	113.2	D909 V911	D909-D913 PolarHBondContact O-N 3.11Å; D909-D913 VanDerWaalsContact O-N 3.14Å; V911-D913 VanDerWaalsContact C-N 3.32Å; V911-D913 PolarHBondContact O-N 3.29Å
914	N	88.8	Confident	83.8	Confident	127 Å²	127	54.7 Å²	54.7	68%	0.679	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-3.5	177.5	-58.6	-62.2	0	0	0	114.1	A910 V911 I912	A910-N914 PolarHBondContact O-ND2 3.2Å; A910-N914 VanDerWaalsContact O-ND2 3.12Å; V911-N914 PolarHBondContact O-N 3.34Å; V911-N914 PolarHBondContact O-ND2 3.22Å; I912-N914 PolarHBondContact O-N 2.95Å
915	F	89.4	Confident	83.2	Confident	51 Å²	51	56.3 Å²	56.3	22%	0.224	32%	0.32	C	S	.	.	S	Bend	trans	-125.6	154.2	-174.4	-59.8	-77.9	0	0	0	111.3	V911 I912 V917 R947 M948 A951	V911-F915 HydrophobicContact CG1-CE2 4.02Å; V911-F915 WeakPolarHBondContact O-CD2 3.42Å; V911-F915 WeakPolarHBondContact O-CE2 3.41Å; I912-F915 PolarHBondContact O-N 2.87Å; F915-V917 HydrophobicContact CB-CG1 4.06Å; F915-V917 HydrophobicContact CB-CG2 4.22Å; F915-V917 PolarHBondContact O-N 3.42Å; F915-R947 HydrophobicContact CD1-CB 4.31Å; F915-R947 HydrophobicContact CE1-CB 3.75Å; F915-R947 HydrophobicContact CZ-CB 4.45Å; F915-M948 HydrophobicContact CB-CB 4.45Å; F915-M948 HydrophobicContact CD2-CB 3.89Å; F915-M948 HydrophobicContact CD2-CG 4.1Å; F915-M948 HydrophobicContact CE2-CB 4.27Å; F915-M948 HydrophobicContact CG-CB 4.04Å; F915-A951 HydrophobicContact CE2-CB 4.17Å; F915-A951 HydrophobicContact CZ-CB 4.12Å
916	D	87.9	Confident	82.8	Confident	88 Å²	88	55.9 Å²	55.9	47%	0.471	32%	0.322	S	S	.	.	S	Bend	trans	-78.9	74.3	176.8	179.3	36.6	0	0	0	110.8	S931 N937 E944	D916-S931 WeakPolarHBondContact O-CB 3.29Å; D916-S931 PolarHBondContact O-OG 3.34Å; D916-N937 WeakPolarHBondContact OD2-CB 3.22Å; D916-N937 PolarHBondContact OD2-ND2 3.47Å; D916-E944 HydrophobicContact CB-CG 4.15Å; D916-E944 PolarHBondContact N-OE2 3.15Å; D916-E944 VanDerWaalsContact N-OE2 3.09Å
917	V	88.9	Confident	82.8	Confident	26 Å²	26	51.6 Å²	51.6	16%	0.158	30%	0.296	C	S	.	.			trans	-137.2	147.9	-175.5	-58.3	0	0	0	0	111.7	I912 F915 V929 E944 V945 M948	I912-V917 HydrophobicContact CB-CG2 3.74Å; I912-V917 HydrophobicContact CG2-CG2 4.27Å; F915-V917 HydrophobicContact CB-CG1 4.06Å; F915-V917 HydrophobicContact CB-CG2 4.22Å; F915-V917 PolarHBondContact O-N 3.42Å; V917-V929 HydrophobicContact CB-CG1 3.51Å; V917-V929 HydrophobicContact CG1-CG1 4.19Å; V917-V929 HydrophobicContact CG2-CG1 3.79Å; V917-E944 HydrophobicContact CG1-CB 4.39Å; V917-V945 HydrophobicContact CG1-CG2 4.31Å; V917-M948 HydrophobicContact CB-SD 4.32Å; V917-M948 HydrophobicContact CG1-SD 3.99Å; V917-M948 HydrophobicContact CG2-SD 3.94Å
918	Y	87.8	Confident	82.9	Confident	39 Å²	39	50.4 Å²	50.4	15%	0.153	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	129.6	176.8	178.8	-106.6	0	0	0	111	P854 V920 V930 L933 Y992	P854-Y918 HydrophobicContact CB-CE2 4.12Å; P854-Y918 WeakPolarHBondContact CD-OH 3.36Å; P854-Y918 HydrophobicContact CG-CD2 4.28Å; P854-Y918 HydrophobicContact CG-CE1 4.21Å; P854-Y918 HydrophobicContact CG-CE2 3.62Å; Y918-V920 HydrophobicContact CD1-CG2 4.12Å; Y918-V920 HydrophobicContact CE1-CG2 4.33Å; Y918-V930 HydrophobicContact CD1-CG1 4.2Å; Y918-V930 PolarHBondContact N-O 3.09Å; Y918-V930 PolarHBondContact O-N 2.99Å; Y918-L933 HydrophobicContact CD1-CD1 4.16Å; Y918-Y992 HydrophobicContact CD1-CD1 4.46Å; Y918-Y992 AromaticContact CE1-CD1 3.79Å; Y918-Y992 HydrophobicContact CE1-CD1 3.79Å
919	K	88.1	Confident	82.9	Confident	68 Å²	68	50.3 Å²	50.3	30%	0.296	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	119.5	173.6	179.2	179.1	-178.7	170	0	109.5	D909 I912 Y927	D909-K919 VanDerWaalsContact CG-NZ 3.31Å; D909-K919 IonicContact OD1-NZ 3.67Å; D909-K919 PolarHBondContact OD1-NZ 3.08Å; D909-K919 IonicContact OD2-NZ 2.72Å; D909-K919 PolarHBondContact OD2-NZ 3.34Å; I912-K919 HydrophobicContact CD1-CB 4.19Å; K919-Y927 HydrophobicContact CD-CE2 4.43Å
920	V	80.1	Confident	83.1	Confident	21 Å²	21	48 Å²	48	13%	0.127	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-78.4	-176.3	-178.4	0	0	0	0	110.4	Y918 M928 V930 L994	Y918-V920 HydrophobicContact CD1-CG2 4.12Å; Y918-V920 HydrophobicContact CE1-CG2 4.33Å; V920-M928 HydrophobicContact CB-CE 4.43Å; V920-M928 HydrophobicContact CB-CG 4.39Å; V920-M928 HydrophobicContact CB-SD 4.12Å; V920-M928 HydrophobicContact CG1-CE 4.41Å; V920-M928 HydrophobicContact CG1-SD 4.2Å; V920-M928 HydrophobicContact CG2-CE 4.26Å; V920-M928 PolarHBondContact N-O 3.37Å; V920-V930 HydrophobicContact CG2-CB 4.34Å; V920-V930 HydrophobicContact CG2-CG1 3.6Å; V920-L994 HydrophobicContact CB-CD1 4.29Å; V920-L994 HydrophobicContact CG1-CD1 3.65Å; V920-L994 HydrophobicContact CG2-CD1 3.58Å; V920-L994 HydrophobicContact CG2-CD2 4.42Å
921	E	71.9	Confident	83.3	Confident	61 Å²	61	45.2 Å²	45.2	29%	0.285	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	154.5	175.5	-69.5	-165.1	160.7	0	0	108.7	M928 R991	E921-M928 WeakPolarHBondContact O-CB 3.43Å; E921-R991 VanDerWaalsContact CD-NH1 3.33Å; E921-R991 WeakPolarHBondContact OE1-CD 3.42Å; E921-R991 VanDerWaalsContact OE1-CG 3.25Å; E921-R991 WeakPolarHBondContact OE1-CG 3.37Å; E921-R991 IonicContact OE1-CZ 3.45Å; E921-R991 IonicContact OE1-NE 3.28Å; E921-R991 IonicContact OE1-NH1 2.81Å; E921-R991 PolarHBondContact OE1-NH1 2.96Å; E921-R991 IonicContact OE2-NH1 2.7Å; E921-R991 PolarHBondContact OE2-NH1 3.25Å; E921-R991 VanDerWaalsContact OE2-NH1 3.11Å
922	T	63.2	Low	83.3	Confident	60 Å²	60	44.3 Å²	44.3	37%	0.368	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	136.2	167.8	52.5	0	0	0	0	109.7	Y905 A926 Y927	Y905-T922 HydrophobicContact CE1-CG2 4.24Å; Y905-T922 HydrophobicContact CE2-CG2 4.46Å; T922-A926 WeakPolarHBondContact CA-O 3.41Å; T922-Y927 HydrophobicContact CG2-CD2 3.7Å; T922-Y927 HydrophobicContact CG2-CE2 4.15Å
923	I	64.2	Low	83.1	Confident	114 Å²	114	44.1 Å²	44.1	59%	0.585	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-118.1	97.5	178.7	-57.4	175.4	0	0	0	107.4	D925 A926	I923-D925 PolarHBondContact O-N 3.36Å; I923-A926 PolarHBondContact N-O 3.32Å; I923-A926 WeakPolarHBondContact O-CB 3.34Å; I923-A926 PolarHBondContact O-N 3.28Å
924	G	69.6	Low	82.5	Confident	58 Å²	58	39.1 Å²	39.1	60%	0.598	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.8	-120.9	-175	0	0	0	0	0	111.5	Y905	Y905-G924 PolarHBondContact OH-O 3.11Å
925	D	74.3	Confident	82.2	Confident	35 Å²	35	37.8 Å²	37.8	19%	0.187	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-7.4	173.5	47.2	-24	0	0	0	113.9	I882 F885 I923	I882-D925 HydrophobicContact CB-CB 4.45Å; I882-D925 HydrophobicContact CD1-CB 4.23Å; I882-D925 HydrophobicContact CG1-CB 4.49Å; F885-D925 HydrophobicContact CB-CB 4.12Å; F885-D925 WeakPolarHBondContact CB-OD2 3.5Å; F885-D925 HydrophobicContact CD1-CB 3.5Å; F885-D925 VanDerWaalsContact CD1-CB 3.5Å; F885-D925 VanDerWaalsContact CD1-CG 3.46Å; F885-D925 WeakPolarHBondContact CD1-OD2 3.46Å; F885-D925 HydrophobicContact CD2-CB 3.98Å; F885-D925 HydrophobicContact CE1-CB 3.83Å; F885-D925 HydrophobicContact CE2-CB 4.28Å; F885-D925 HydrophobicContact CG-CB 3.58Å; F885-D925 VanDerWaalsContact CG-OD2 3.25Å; F885-D925 WeakPolarHBondContact CG-OD2 3.28Å; F885-D925 HydrophobicContact CZ-CB 4.21Å; I923-D925 PolarHBondContact O-N 3.36Å
926	A	80.1	Confident	82.1	Confident	17 Å²	17	41.1 Å²	41.1	14%	0.14	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	137	-178.3	0	0	0	0	0	113.1	S880 T922 I923	S880-A926 CarbonylContact O-C 3.58Å; S880-A926 WeakPolarHBondContact O-CA 3.45Å; T922-A926 WeakPolarHBondContact CA-O 3.41Å; I923-A926 PolarHBondContact N-O 3.32Å; I923-A926 WeakPolarHBondContact O-CB 3.34Å; I923-A926 PolarHBondContact O-N 3.28Å
927	Y	87.4	Confident	82	Confident	1 Å²	1	38 Å²	38	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	121.6	177.8	-162.5	-108.9	0	0	0	110.2	Y878 S880 Y905 F908 D909 I912 K919 T922 V929	Y878-Y927 HydrophobicContact CE1-CD1 4.23Å; S880-Y927 PolarHBondContact N-O 2.97Å; S880-Y927 PolarHBondContact O-N 3.2Å; S880-Y927 VanDerWaalsContact OG-CB 3.32Å; S880-Y927 WeakPolarHBondContact OG-CB 3.36Å; Y905-Y927 AromaticContact CD1-CD2 3.6Å; Y905-Y927 HydrophobicContact CD1-CD2 3.6Å; Y905-Y927 AromaticContact CD1-CE2 3.87Å; Y905-Y927 HydrophobicContact CD1-CE2 3.87Å; Y905-Y927 AromaticContact CE1-CD2 3.61Å; Y905-Y927 HydrophobicContact CE1-CD2 3.61Å; Y905-Y927 HydrophobicContact CE1-CE2 4.33Å; Y905-Y927 HydrophobicContact CE1-CG 4.41Å; F908-Y927 HydrophobicContact CB-CE1 4.09Å; F908-Y927 HydrophobicContact CB-CE2 4.37Å; F908-Y927 AromaticContact CD2-CD1 3.8Å; F908-Y927 HydrophobicContact CD2-CD1 3.8Å; F908-Y927 HydrophobicContact CD2-CD2 4.14Å; F908-Y927 HydrophobicContact CD2-CE1 4.05Å; F908-Y927 HydrophobicContact CD2-CE2 4.38Å; F908-Y927 AromaticContact CD2-CG 3.86Å; F908-Y927 HydrophobicContact CD2-CG 3.86Å; F908-Y927 HydrophobicContact CE2-CD1 4.48Å; F908-Y927 HydrophobicContact CE2-CG 4.41Å; D909-Y927 PolarHBondContact OD1-OH 3.5Å; I912-Y927 VanDerWaalsContact CD1-OH 3.28Å; I912-Y927 WeakPolarHBondContact CD1-OH 3.47Å; I912-Y927 HydrophobicContact CG2-CE1 4.35Å; K919-Y927 HydrophobicContact CD-CE2 4.43Å; T922-Y927 HydrophobicContact CG2-CD2 3.7Å; T922-Y927 HydrophobicContact CG2-CE2 4.15Å; Y927-V929 HydrophobicContact CD1-CG2 3.72Å; Y927-V929 HydrophobicContact CE1-CG2 3.35Å
928	M	89.6	Confident	81.9	Confident	13 Å²	13	39.5 Å²	39.5	6%	0.064	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	126	-176.2	-175.1	-174	174.1	0	0	111.3	I877 Y878 F879 V920 E921 L994 V999	I877-M928 HydrophobicContact CG2-CE 3.91Å; I877-M928 HydrophobicContact CG2-CG 4.44Å; Y878-M928 WeakPolarHBondContact O-CA 3.37Å; F879-M928 HydrophobicContact CD1-CB 4.36Å; F879-M928 HydrophobicContact CD1-CG 4.43Å; F879-M928 HydrophobicContact CE1-CB 4.03Å; F879-M928 HydrophobicContact CE1-CG 3.92Å; F879-M928 HydrophobicContact CE1-SD 3.99Å; F879-M928 HydrophobicContact CE2-CE 4.08Å; F879-M928 HydrophobicContact CE2-CG 4.03Å; F879-M928 HydrophobicContact CE2-SD 4.13Å; F879-M928 HydrophobicContact CZ-CB 4.34Å; F879-M928 HydrophobicContact CZ-CE 3.94Å; F879-M928 HydrophobicContact CZ-CG 3.7Å; F879-M928 HydrophobicContact CZ-SD 3.48Å; F879-M928 WeakPolarHBondContact CZ-SD 3.5Å; V920-M928 HydrophobicContact CB-CE 4.43Å; V920-M928 HydrophobicContact CB-CG 4.39Å; V920-M928 HydrophobicContact CB-SD 4.12Å; V920-M928 HydrophobicContact CG1-CE 4.41Å; V920-M928 HydrophobicContact CG1-SD 4.2Å; V920-M928 HydrophobicContact CG2-CE 4.26Å; V920-M928 PolarHBondContact N-O 3.37Å; E921-M928 WeakPolarHBondContact O-CB 3.43Å; M928-L994 HydrophobicContact CE-CD2 4.04Å; M928-V999 HydrophobicContact CE-CG1 4.07Å; M928-V999 HydrophobicContact CE-CG2 4.45Å
929	V	91.1	Very high	81.6	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	148	-180	-179.9	0	0	0	0	109.6	Y878 V917 Y927 M948	Y878-V929 HydrophobicContact CD1-CB 4.24Å; Y878-V929 HydrophobicContact CD1-CG2 4.39Å; Y878-V929 PolarHBondContact N-O 2.87Å; Y878-V929 PolarHBondContact O-N 2.83Å; V917-V929 HydrophobicContact CB-CG1 3.51Å; V917-V929 HydrophobicContact CG1-CG1 4.19Å; V917-V929 HydrophobicContact CG2-CG1 3.79Å; Y927-V929 HydrophobicContact CD1-CG2 3.72Å; Y927-V929 HydrophobicContact CE1-CG2 3.35Å; V929-M948 HydrophobicContact CB-CE 4.17Å; V929-M948 HydrophobicContact CB-SD 4.24Å; V929-M948 HydrophobicContact CG1-CE 4.15Å; V929-M948 HydrophobicContact CG1-SD 3.71Å; V929-M948 HydrophobicContact CG2-SD 4.42Å
930	V	91.8	Very high	81.6	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	147.9	178.6	64.1	0	0	0	0	110.9	V875 T876 I877 Y918 V920 L933 L994	V875-V930 HydrophobicContact CB-CG2 4.15Å; V875-V930 HydrophobicContact CG2-CG2 4.28Å; T876-V930 WeakPolarHBondContact O-CA 3.48Å; T876-V930 WeakPolarHBondContact O-CG2 3.22Å; I877-V930 HydrophobicContact CG1-CG2 3.97Å; Y918-V930 HydrophobicContact CD1-CG1 4.2Å; Y918-V930 PolarHBondContact N-O 3.09Å; Y918-V930 PolarHBondContact O-N 2.99Å; V920-V930 HydrophobicContact CG2-CB 4.34Å; V920-V930 HydrophobicContact CG2-CG1 3.6Å; V930-L933 HydrophobicContact CB-CG 4.42Å; V930-L933 HydrophobicContact CG1-CD1 3.39Å; V930-L933 HydrophobicContact CG1-CD2 4.14Å; V930-L933 HydrophobicContact CG1-CG 3.71Å; V930-L933 HydrophobicContact CG2-CD1 4.43Å; V930-L933 HydrophobicContact CG2-CD2 3.75Å; V930-L933 HydrophobicContact CG2-CG 3.79Å; V930-L994 HydrophobicContact CB-CD2 4.19Å; V930-L994 HydrophobicContact CG1-CD2 4.21Å; V930-L994 HydrophobicContact CG2-CD2 4.01Å
931	S	92.4	Very high	82.1	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.007	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	154.6	168.9	-171.8	0	0	0	0	110.9	V875 T876 D916 N937 H941	V875-S931 WeakPolarHBondContact CB-O 3.44Å; T876-S931 PolarHBondContact N-O 2.03Å; T876-S931 PolarHBondContact O-N 3.3Å; D916-S931 WeakPolarHBondContact O-CB 3.29Å; D916-S931 PolarHBondContact O-OG 3.34Å; S931-N937 PolarHBondContact OG-ND2 3.21Å; S931-H941 VanDerWaalsContact C-CB 3.46Å; S931-H941 WeakPolarHBondContact O-CB 3.32Å; S931-H941 WeakPolarHBondContact OG-CA 3.41Å
932	G	86.6	Confident	83	Confident	5 Å²	5	41.5 Å²	41.5	5%	0.052	24%	0.238	C	C	.	.	S	Bend	trans	90.4	5.6	-173.3	0	0	0	0	0	114.4	V935 N937	G932-V935 CarbonylContact C-O 3.58Å; G932-V935 VanDerWaalsContact C-O 3.26Å; G932-N937 WeakPolarHBondContact CA-OD1 3.26Å
933	L	85.4	Confident	84.3	Confident	8 Å²	8	38.9 Å²	38.9	4%	0.042	22%	0.222	C	C	.	.			trans	-148.6	155.9	171.7	70.7	75.4	0	0	0	110.1	F872 V875 Y918 V930 V935 V980 A982 Y992 L994	F872-L933 HydrophobicContact CD1-CB 4.01Å; F872-L933 HydrophobicContact CD2-CB 4.4Å; F872-L933 HydrophobicContact CE1-CB 3.88Å; F872-L933 HydrophobicContact CE2-CB 4.28Å; F872-L933 HydrophobicContact CG-CB 4.29Å; F872-L933 HydrophobicContact CZ-CB 4.03Å; V875-L933 HydrophobicContact CG1-CB 4.38Å; V875-L933 HydrophobicContact CG1-CD2 4.14Å; Y918-L933 HydrophobicContact CD1-CD1 4.16Å; V930-L933 HydrophobicContact CB-CG 4.42Å; V930-L933 HydrophobicContact CG1-CD1 3.39Å; V930-L933 HydrophobicContact CG1-CD2 4.14Å; V930-L933 HydrophobicContact CG1-CG 3.71Å; V930-L933 HydrophobicContact CG2-CD1 4.43Å; V930-L933 HydrophobicContact CG2-CD2 3.75Å; V930-L933 HydrophobicContact CG2-CG 3.79Å; L933-V935 VanDerWaalsContact C-N 3.27Å; L933-V935 PolarHBondContact N-O 3.44Å; L933-V980 HydrophobicContact CD2-CG1 3.77Å; L933-A982 HydrophobicContact CD2-CB 4.3Å; L933-Y992 HydrophobicContact CD1-CE1 3.78Å; L933-L994 HydrophobicContact CD2-CD1 4.47Å; L933-L994 HydrophobicContact CD2-CD2 3.78Å; L933-L994 HydrophobicContact CD2-CG 4.02Å
934	P	74.9	Confident	85.6	Confident	28 Å²	28	35.2 Å²	35.2	18%	0.182	20%	0.202	C	C	.	.	S	Bend	cis	-73.1	-14.9	-4	33.4	-38.3	0	0	0	113.1	P854	P854-P934 HydrophobicContact CB-CG 3.64Å; P854-P934 HydrophobicContact CG-CG 4.11Å
935	V	82.8	Confident	86.7	Confident	100 Å²	100	32.4 Å²	32.4	61%	0.606	17%	0.174	S	C	*	.	S	Bend	trans	-94.9	130.3	173.4	-176.2	0	0	0	0	108.7	G932 L933 N937	G932-V935 CarbonylContact C-O 3.58Å; G932-V935 VanDerWaalsContact C-O 3.26Å; L933-V935 VanDerWaalsContact C-N 3.27Å; L933-V935 PolarHBondContact N-O 3.44Å; V935-N937 PolarHBondContact O-N 3.44Å
936	R	86.8	Confident	87.6	Confident	121 Å²	121	30.8 Å²	30.8	46%	0.457	17%	0.165	S	C	.	.			trans	-74.4	120.6	179	-61.8	178.6	-176.1	-121.1	0.2	109.8	E870 A871 F872 D873	E870-R936 IonicContact OE1-CZ 3.11Å; E870-R936 IonicContact OE1-NE 2.85Å; E870-R936 PolarHBondContact OE1-NE 3.46Å; E870-R936 IonicContact OE1-NH2 3.48Å; E870-R936 PolarHBondContact OE1-NH2 2.93Å; A871-R936 PolarHBondContact O-NH2 2.68Å; F872-R936 HydrophobicContact CD1-CG 3.99Å; F872-R936 HydrophobicContact CE1-CG 4.03Å; D873-R936 IonicContact OD2-NH1 3.53Å; D873-R936 PolarHBondContact OD2-NH1 3.25Å
937	N	86.2	Confident	88.1	Confident	23 Å²	23	34.6 Å²	34.6	12%	0.123	18%	0.176	C	C	.	.			trans	-107.2	23.3	179.2	67.8	6.5	0	0	0	113.5	D916 S931 G932 V935 R939 L940 H941	D916-N937 WeakPolarHBondContact OD2-CB 3.22Å; D916-N937 PolarHBondContact OD2-ND2 3.47Å; S931-N937 PolarHBondContact OG-ND2 3.21Å; G932-N937 WeakPolarHBondContact CA-OD1 3.26Å; V935-N937 PolarHBondContact O-N 3.44Å; N937-R939 PolarHBondContact O-N 2.98Å; N937-L940 WeakPolarHBondContact O-CB 3.14Å; N937-L940 PolarHBondContact O-N 2.87Å; N937-H941 WeakPolarHBondContact OD1-CB 3.24Å; N937-H941 PolarHBondContact OD1-N 3.28Å
938	G	85.4	Confident	88.4	Confident	57 Å²	57	34.6 Å²	34.6	59%	0.588	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.6	-123.7	179.4	0	0	0	0	0	111.8	H941	G938-H941 PolarHBondContact O-CD2 3.47Å; G938-H941 PolarHBondContact O-NE2 2.95Å
939	R	82.8	Confident	88.6	Confident	143 Å²	143	34 Å²	34	54%	0.54	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-0.4	176	-68.7	-174.2	175.1	179.1	-8.5	113.2	N937 H941 V1023 E1026 F1027	N937-R939 PolarHBondContact O-N 2.98Å; R939-H941 PolarHBondContact O-N 3.01Å; R939-V1023 HydrophobicContact CB-CG1 4.27Å; R939-E1026 WeakPolarHBondContact CD-OE2 3.35Å; R939-E1026 IonicContact CZ-OE1 3.17Å; R939-E1026 IonicContact CZ-OE2 3.36Å; R939-E1026 IonicContact NE-OE2 3.33Å; R939-E1026 IonicContact NH1-OE1 3.43Å; R939-E1026 PolarHBondContact NH1-OE1 3.31Å; R939-E1026 IonicContact NH1-OE2 2.84Å; R939-E1026 PolarHBondContact NH1-OE2 2.95Å; R939-F1027 HydrophobicContact CB-CE2 3.74Å; R939-F1027 HydrophobicContact CB-CZ 3.59Å; R939-F1027 VanDerWaalsContact O-CE2 3.22Å; R939-F1027 WeakPolarHBondContact O-CE2 3.39Å; R939-F1027 WeakPolarHBondContact O-CZ 3.4Å
940	L	86.6	Confident	88.7	Confident	88 Å²	88	35.2 Å²	35.2	46%	0.461	18%	0.18	S	C	.	.	H	α-helix	trans	-66.6	-21.9	-177.5	-67.1	168.7	0	0	0	112.5	N937 A942 C943 E944 F1027	N937-L940 WeakPolarHBondContact O-CB 3.14Å; N937-L940 PolarHBondContact O-N 2.87Å; L940-A942 PolarHBondContact O-N 3.02Å; L940-A942 VanDerWaalsContact O-N 3.09Å; L940-C943 PolarHBondContact O-N 2.95Å; L940-E944 PolarHBondContact O-N 3.45Å; L940-F1027 HydrophobicContact CD2-CE1 3.73Å; L940-F1027 HydrophobicContact CD2-CZ 4.16Å
941	H	91.4	Very high	88.6	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-49.3	-37.9	178.5	56.9	73.4	0	0	0	114.5	S874 T876 S931 N937 G938 R939 V945	S874-H941 PolarHBondContact OG-CE1 3.16Å; S874-H941 VanDerWaalsContact OG-CE1 3.24Å; S874-H941 PolarHBondContact OG-NE2 3.29Å; T876-H941 PolarHBondContact OG1-ND1 3.34Å; S931-H941 VanDerWaalsContact C-CB 3.46Å; S931-H941 WeakPolarHBondContact O-CB 3.32Å; S931-H941 WeakPolarHBondContact OG-CA 3.41Å; N937-H941 WeakPolarHBondContact OD1-CB 3.24Å; N937-H941 PolarHBondContact OD1-N 3.28Å; G938-H941 PolarHBondContact O-CD2 3.47Å; G938-H941 PolarHBondContact O-NE2 2.95Å; R939-H941 PolarHBondContact O-N 3.01Å; H941-V945 VanDerWaalsContact O-CG2 3.3Å; H941-V945 WeakPolarHBondContact O-CG2 3.04Å; H941-V945 PolarHBondContact O-N 2.91Å
942	A	90.8	Very high	88.6	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-72.5	-39.1	-178.9	0	0	0	0	0	111.6	T876 L940 A946 V1023 L1024	T876-A942 WeakPolarHBondContact OG1-CA 3.33Å; L940-A942 PolarHBondContact O-N 3.02Å; L940-A942 VanDerWaalsContact O-N 3.09Å; A942-A946 VanDerWaalsContact O-CB 3.25Å; A942-A946 WeakPolarHBondContact O-CB 2.96Å; A942-A946 PolarHBondContact O-N 2.84Å; A942-V1023 HydrophobicContact CB-CB 3.95Å; A942-V1023 HydrophobicContact CB-CG1 3.5Å; A942-L1024 HydrophobicContact CB-CD2 4.01Å; A942-L1024 HydrophobicContact CB-CG 4.35Å
943	C	89.6	Confident	88.7	Confident	5 Å²	5	37.2 Å²	37.2	3%	0.034	19%	0.194	C	C	.	.	H	α-helix	trans	-68.5	-45.1	179.5	-66.7	0	0	0	0	111.8	L940 V945 A946 R947 F1027 F1030	L940-C943 PolarHBondContact O-N 2.95Å; C943-V945 PolarHBondContact O-N 3.21Å; C943-A946 PolarHBondContact O-N 3.39Å; C943-R947 WeakPolarHBondContact O-CB 3.31Å; C943-R947 WeakPolarHBondContact O-CG 3.02Å; C943-R947 PolarHBondContact O-N 3.09Å; C943-F1027 WeakPolarHBondContact SG-CD2 3.48Å; C943-F1027 WeakPolarHBondContact SG-CG 3.08Å; C943-F1030 HydrophobicContact CB-CE2 4.37Å; C943-F1030 HydrophobicContact CB-CZ 4.42Å
944	E	91.7	Very high	88.9	Confident	36 Å²	36	41 Å²	41	17%	0.168	21%	0.214	C	C	.	.	H	α-helix	trans	-59	-47.4	177.7	-68.9	-62.1	133.6	0	0	110.9	D916 V917 L940 A946 R947 M948	D916-E944 HydrophobicContact CB-CG 4.15Å; D916-E944 PolarHBondContact N-OE2 3.15Å; D916-E944 VanDerWaalsContact N-OE2 3.09Å; V917-E944 HydrophobicContact CG1-CB 4.39Å; L940-E944 PolarHBondContact O-N 3.45Å; E944-A946 PolarHBondContact O-N 3.17Å; E944-R947 PolarHBondContact O-N 3.35Å; E944-M948 WeakPolarHBondContact O-CB 3.5Å; E944-M948 PolarHBondContact O-N 3.19Å
945	V	93.8	Very high	89.5	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-67.4	-38	178.2	173.6	0	0	0	0	112.2	T876 Y878 V917 H941 C943 M948 A949 I975	T876-V945 HydrophobicContact CG2-CB 3.8Å; T876-V945 HydrophobicContact CG2-CG1 3.82Å; T876-V945 HydrophobicContact CG2-CG2 4.04Å; Y878-V945 HydrophobicContact CD2-CG1 4.29Å; V917-V945 HydrophobicContact CG1-CG2 4.31Å; H941-V945 VanDerWaalsContact O-CG2 3.3Å; H941-V945 WeakPolarHBondContact O-CG2 3.04Å; H941-V945 PolarHBondContact O-N 2.91Å; C943-V945 PolarHBondContact O-N 3.21Å; V945-M948 HydrophobicContact CG1-CE 4.27Å; V945-A949 VanDerWaalsContact O-CB 3.24Å; V945-A949 WeakPolarHBondContact O-CB 3.25Å; V945-A949 PolarHBondContact O-N 2.94Å; V945-I975 HydrophobicContact CG1-CD1 4.08Å; V945-I975 HydrophobicContact CG1-CG1 4.31Å; V945-I975 HydrophobicContact CG1-CG2 3.87Å
946	A	92.3	Very high	89.8	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-66	-43.1	177.4	0	0	0	0	0	112.4	A942 C943 E944 A949 L950 L1024 F1030 L1051	A942-A946 VanDerWaalsContact O-CB 3.25Å; A942-A946 WeakPolarHBondContact O-CB 2.96Å; A942-A946 PolarHBondContact O-N 2.84Å; C943-A946 PolarHBondContact O-N 3.39Å; E944-A946 PolarHBondContact O-N 3.17Å; A946-A949 PolarHBondContact O-N 3.14Å; A946-L950 WeakPolarHBondContact O-CG 3.27Å; A946-L950 PolarHBondContact O-N 2.83Å; A946-L950 VanDerWaalsContact O-N 3.13Å; A946-L1024 HydrophobicContact CB-CD1 4.26Å; A946-L1024 HydrophobicContact CB-CD2 3.89Å; A946-F1030 HydrophobicContact CB-CD1 4.36Å; A946-F1030 HydrophobicContact CB-CE1 3.87Å; A946-F1030 HydrophobicContact CB-CZ 4.12Å; A946-L1051 HydrophobicContact CB-CD2 3.9Å
947	R	91.8	Very high	89.7	Confident	97 Å²	97	36.4 Å²	36.4	37%	0.366	19%	0.186	S	C	.	.	H	α-helix	trans	-66.4	-45.8	175.8	-73.8	177.4	175.8	154.7	1.8	112	F915 C943 E944 A949 L950 A951 F1030 E1054	F915-R947 HydrophobicContact CD1-CB 4.31Å; F915-R947 HydrophobicContact CE1-CB 3.75Å; F915-R947 HydrophobicContact CZ-CB 4.45Å; C943-R947 WeakPolarHBondContact O-CB 3.31Å; C943-R947 WeakPolarHBondContact O-CG 3.02Å; C943-R947 PolarHBondContact O-N 3.09Å; E944-R947 PolarHBondContact O-N 3.35Å; R947-A949 VanDerWaalsContact C-N 3.28Å; R947-A949 PolarHBondContact O-N 3.15Å; R947-L950 PolarHBondContact O-N 3.33Å; R947-A951 WeakPolarHBondContact O-CB 3.37Å; R947-A951 PolarHBondContact O-N 3.26Å; R947-F1030 HydrophobicContact CG-CE1 4.13Å; R947-F1030 HydrophobicContact CG-CZ 4.04Å; R947-E1054 WeakPolarHBondContact CG-OE2 3.44Å; R947-E1054 IonicContact CZ-OE1 3.76Å; R947-E1054 IonicContact NE-OE1 3.33Å; R947-E1054 PolarHBondContact NE-OE1 3.04Å; R947-E1054 IonicContact NE-OE2 3.93Å; R947-E1054 PolarHBondContact NE-OE2 2.97Å; R947-E1054 IonicContact NH2-OE1 3.83Å; R947-E1054 PolarHBondContact NH2-OE1 3.27Å
948	M	93.8	Very high	89.6	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-56.3	-44.6	173.6	179.6	-155.3	71.4	0	0	110.9	Y878 I912 F915 V917 V929 E944 V945 L950 A951 L952	Y878-M948 HydrophobicContact CD1-CE 3.97Å; Y878-M948 HydrophobicContact CD2-CE 3.42Å; Y878-M948 VanDerWaalsContact CD2-CE 3.42Å; Y878-M948 HydrophobicContact CE1-CE 4.36Å; Y878-M948 HydrophobicContact CE2-CE 3.83Å; Y878-M948 HydrophobicContact CG-CE 3.49Å; Y878-M948 VanDerWaalsContact CG-CE 3.49Å; I912-M948 HydrophobicContact CG2-CG 3.95Å; I912-M948 HydrophobicContact CG2-SD 3.63Å; F915-M948 HydrophobicContact CB-CB 4.45Å; F915-M948 HydrophobicContact CD2-CB 3.89Å; F915-M948 HydrophobicContact CD2-CG 4.1Å; F915-M948 HydrophobicContact CE2-CB 4.27Å; F915-M948 HydrophobicContact CG-CB 4.04Å; V917-M948 HydrophobicContact CB-SD 4.32Å; V917-M948 HydrophobicContact CG1-SD 3.99Å; V917-M948 HydrophobicContact CG2-SD 3.94Å; V929-M948 HydrophobicContact CB-CE 4.17Å; V929-M948 HydrophobicContact CB-SD 4.24Å; V929-M948 HydrophobicContact CG1-CE 4.15Å; V929-M948 HydrophobicContact CG1-SD 3.71Å; V929-M948 HydrophobicContact CG2-SD 4.42Å; E944-M948 WeakPolarHBondContact O-CB 3.5Å; E944-M948 PolarHBondContact O-N 3.19Å; V945-M948 HydrophobicContact CG1-CE 4.27Å; M948-L950 PolarHBondContact O-N 3.16Å; M948-A951 PolarHBondContact O-N 3.44Å; M948-L952 HydrophobicContact CE-CD1 4.06Å; M948-L952 HydrophobicContact CG-CD1 3.88Å; M948-L952 HydrophobicContact CG-CG 4.31Å; M948-L952 WeakPolarHBondContact O-CB 3.31Å; M948-L952 VanDerWaalsContact O-CG 3.3Å; M948-L952 WeakPolarHBondContact O-CG 3.36Å; M948-L952 PolarHBondContact O-N 2.92Å; M948-L952 HydrophobicContact SD-CD1 4.23Å
949	A	93.3	Very high	89.6	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.5	-40	179.4	0	0	0	0	0	113	Y878 V945 A946 R947 L953 I973 I975 I1014	Y878-A949 HydrophobicContact CD2-CB 4.01Å; Y878-A949 HydrophobicContact CE2-CB 3.68Å; V945-A949 VanDerWaalsContact O-CB 3.24Å; V945-A949 WeakPolarHBondContact O-CB 3.25Å; V945-A949 PolarHBondContact O-N 2.94Å; A946-A949 PolarHBondContact O-N 3.14Å; R947-A949 VanDerWaalsContact C-N 3.28Å; R947-A949 PolarHBondContact O-N 3.15Å; A949-L953 WeakPolarHBondContact O-CB 3.47Å; A949-L953 PolarHBondContact O-N 2.78Å; A949-L953 VanDerWaalsContact O-N 3.07Å; A949-I973 HydrophobicContact CB-CG2 4.42Å; A949-I975 HydrophobicContact CB-CD1 3.78Å; A949-I1014 HydrophobicContact CB-CD1 3.82Å; A949-I1014 HydrophobicContact CB-CG1 4.31Å; A949-I1014 HydrophobicContact CB-CG2 4.35Å
950	L	92	Very high	89.7	Confident	27 Å²	27	41 Å²	41	14%	0.141	20%	0.2	C	C	.	.	H	α-helix	trans	-65.5	-46.6	174.2	-70.3	168.5	0	0	0	111.4	A946 R947 M948 L952 L953 D954 I1014 L1051 E1054	A946-L950 WeakPolarHBondContact O-CG 3.27Å; A946-L950 PolarHBondContact O-N 2.83Å; A946-L950 VanDerWaalsContact O-N 3.13Å; R947-L950 PolarHBondContact O-N 3.33Å; M948-L950 PolarHBondContact O-N 3.16Å; L950-L952 PolarHBondContact O-N 2.78Å; L950-L953 PolarHBondContact O-N 3.18Å; L950-D954 PolarHBondContact O-N 2.87Å; L950-I1014 HydrophobicContact CD2-CD1 3.76Å; L950-I1014 HydrophobicContact CG-CD1 4.12Å; L950-L1051 HydrophobicContact CD1-CD2 4.28Å; L950-L1051 HydrophobicContact CD2-CD2 4.37Å; L950-L1051 HydrophobicContact CD2-CG 4.39Å; L950-L1051 HydrophobicContact CG-CD2 4.1Å; L950-E1054 HydrophobicContact CD1-CB 4.45Å
951	A	90.9	Very high	89.7	Confident	35 Å²	35	37 Å²	37	29%	0.289	18%	0.179	S	C	.	.	H	α-helix	trans	-62.4	-41.8	178.8	0	0	0	0	0	112.6	V911 F915 R947 M948 D954 A955	V911-A951 HydrophobicContact CG1-CB 3.85Å; F915-A951 HydrophobicContact CE2-CB 4.17Å; F915-A951 HydrophobicContact CZ-CB 4.12Å; R947-A951 WeakPolarHBondContact O-CB 3.37Å; R947-A951 PolarHBondContact O-N 3.26Å; M948-A951 PolarHBondContact O-N 3.44Å; A951-D954 PolarHBondContact O-N 3.34Å; A951-A955 WeakPolarHBondContact O-CB 3.15Å; A951-A955 PolarHBondContact O-N 2.69Å
952	L	91	Very high	89.3	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.6	-41.6	174.7	-74.4	172.3	0	0	0	111.6	Y878 F908 V911 M948 L950 D954 A955 V956	Y878-L952 HydrophobicContact CE1-CD1 4.33Å; Y878-L952 HydrophobicContact CE2-CD1 4.35Å; F908-L952 HydrophobicContact CB-CD2 3.93Å; F908-L952 HydrophobicContact CD1-CD2 3.54Å; F908-L952 HydrophobicContact CD2-CD2 4.38Å; F908-L952 HydrophobicContact CE1-CD2 4.09Å; F908-L952 HydrophobicContact CG-CD2 3.7Å; V911-L952 HydrophobicContact CB-CD2 3.8Å; V911-L952 HydrophobicContact CG1-CD2 3.81Å; V911-L952 HydrophobicContact CG1-CG 3.97Å; V911-L952 HydrophobicContact CG2-CD2 4.29Å; M948-L952 HydrophobicContact CE-CD1 4.06Å; M948-L952 HydrophobicContact CG-CD1 3.88Å; M948-L952 HydrophobicContact CG-CG 4.31Å; M948-L952 WeakPolarHBondContact O-CB 3.31Å; M948-L952 VanDerWaalsContact O-CG 3.3Å; M948-L952 WeakPolarHBondContact O-CG 3.36Å; M948-L952 PolarHBondContact O-N 2.92Å; M948-L952 HydrophobicContact SD-CD1 4.23Å; L950-L952 PolarHBondContact O-N 2.78Å; L952-D954 VanDerWaalsContact C-N 3.32Å; L952-D954 PolarHBondContact O-N 3.28Å; L952-A955 PolarHBondContact O-N 3.03Å; L952-V956 VanDerWaalsContact O-CG2 3.31Å; L952-V956 WeakPolarHBondContact O-CG2 3.48Å; L952-V956 PolarHBondContact O-N 3.29Å
953	L	89.9	Confident	88.9	Confident	13 Å²	13	48.3 Å²	48.3	7%	0.068	22%	0.224	C	C	.	.	H	α-helix	trans	-63.3	-39.1	178.1	-168.3	73.1	0	0	0	111.8	A949 L950 R957 I973 L1012 I1014	A949-L953 WeakPolarHBondContact O-CB 3.47Å; A949-L953 PolarHBondContact O-N 2.78Å; A949-L953 VanDerWaalsContact O-N 3.07Å; L950-L953 PolarHBondContact O-N 3.18Å; L953-R957 WeakPolarHBondContact O-CG 3.44Å; L953-R957 PolarHBondContact O-N 2.83Å; L953-I973 HydrophobicContact CB-CD1 4.49Å; L953-I973 HydrophobicContact CD1-CD1 4.29Å; L953-L1012 HydrophobicContact CD1-CB 4.38Å; L953-L1012 HydrophobicContact CD1-CD2 4.14Å; L953-I1014 HydrophobicContact CD2-CD1 4.37Å; L953-I1014 HydrophobicContact CD2-CG1 4.49Å
954	D	88.8	Confident	88.5	Confident	88 Å²	88	50.8 Å²	50.8	47%	0.471	23%	0.232	S	C	.	.	H	α-helix	trans	-70.9	-37.5	175.6	-75.8	-27.6	0	0	0	112.8	L950 A951 L952 R957	L950-D954 PolarHBondContact O-N 2.87Å; A951-D954 PolarHBondContact O-N 3.34Å; L952-D954 VanDerWaalsContact C-N 3.32Å; L952-D954 PolarHBondContact O-N 3.28Å; D954-R957 WeakPolarHBondContact O-CB 3.27Å; D954-R957 PolarHBondContact O-N 3.29Å; D954-R957 IonicContact OD1-CZ 3.22Å; D954-R957 IonicContact OD1-NH1 3.01Å; D954-R957 PolarHBondContact OD1-NH1 2.91Å
955	A	88.3	Confident	87.9	Confident	18 Å²	18	53.1 Å²	53.1	15%	0.149	25%	0.25	C	S	.	.	H	α-helix	trans	-63.6	-40.1	173.7	0	0	0	0	0	112.1	V911 A951 L952 R957 S958 F959	V911-A955 HydrophobicContact CG2-CB 4.27Å; A951-A955 WeakPolarHBondContact O-CB 3.15Å; A951-A955 PolarHBondContact O-N 2.69Å; L952-A955 PolarHBondContact O-N 3.03Å; A955-R957 VanDerWaalsContact C-N 3.26Å; A955-R957 PolarHBondContact O-N 3.4Å; A955-S958 PolarHBondContact O-N 2.98Å; A955-S958 PolarHBondContact O-OG 3.46Å; A955-F959 PolarHBondContact O-N 2.96Å; A955-F959 VanDerWaalsContact O-N 3.12Å
956	V	88.2	Confident	87.2	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.4	-30.7	176.7	171.4	0	0	0	0	112.1	F908 L952 S958 F959 L969 L971	F908-V956 HydrophobicContact CE1-CG2 3.55Å; F908-V956 HydrophobicContact CZ-CG2 3.75Å; L952-V956 VanDerWaalsContact O-CG2 3.31Å; L952-V956 WeakPolarHBondContact O-CG2 3.48Å; L952-V956 PolarHBondContact O-N 3.29Å; V956-S958 VanDerWaalsContact C-N 3.27Å; V956-S958 PolarHBondContact O-N 2.98Å; V956-F959 PolarHBondContact O-N 3.42Å; V956-L969 HydrophobicContact CG1-CB 4.22Å; V956-L969 HydrophobicContact CG1-CD2 4.25Å; V956-L969 HydrophobicContact CG1-CG 4.45Å; V956-L969 WeakPolarHBondContact CG1-O 3.47Å; V956-L971 HydrophobicContact CG1-CB 4.38Å; V956-L971 HydrophobicContact CG2-CB 4.49Å; V956-L971 HydrophobicContact CG2-CD2 4.26Å
957	R	85.2	Confident	86.6	Confident	134 Å²	134	66.7 Å²	66.7	51%	0.506	31%	0.314	S	S	.	.	H	α-helix	trans	-64	-32.3	177.2	-72.6	170.8	175.5	168.3	-5.8	112.7	L953 D954 A955	L953-R957 WeakPolarHBondContact O-CG 3.44Å; L953-R957 PolarHBondContact O-N 2.83Å; D954-R957 WeakPolarHBondContact O-CB 3.27Å; D954-R957 PolarHBondContact O-N 3.29Å; D954-R957 IonicContact OD1-CZ 3.22Å; D954-R957 IonicContact OD1-NH1 3.01Å; D954-R957 PolarHBondContact OD1-NH1 2.91Å; A955-R957 VanDerWaalsContact C-N 3.26Å; A955-R957 PolarHBondContact O-N 3.4Å
958	S	84.6	Confident	86.2	Confident	96 Å²	96	67.3 Å²	67.3	67%	0.671	32%	0.321	S	S	*	.	H	α-helix	trans	-92.6	-15.5	179.3	64.7	0	0	0	0	113.6	A955 V956	A955-S958 PolarHBondContact O-N 2.98Å; A955-S958 PolarHBondContact O-OG 3.46Å; V956-S958 VanDerWaalsContact C-N 3.27Å; V956-S958 PolarHBondContact O-N 2.98Å
959	F	85.8	Confident	85.8	Confident	30 Å²	30	67.5 Å²	67.5	13%	0.132	32%	0.322	C	S	.	.			trans	-67.8	130.5	179.2	-173	-93.9	0	0	0	112.6	L900 D903 L904 C907 A955 V956 L969	L900-F959 HydrophobicContact CD1-CE1 3.8Å; L900-F959 HydrophobicContact CD1-CZ 4.19Å; D903-F959 HydrophobicContact CB-CE2 4Å; D903-F959 HydrophobicContact CB-CZ 3.82Å; L904-F959 HydrophobicContact CB-CZ 4.09Å; L904-F959 HydrophobicContact CD1-CD1 4.38Å; L904-F959 HydrophobicContact CD1-CE1 4.31Å; L904-F959 HydrophobicContact CD1-CZ 4.39Å; C907-F959 HydrophobicContact CB-CD2 4.48Å; A955-F959 PolarHBondContact O-N 2.96Å; A955-F959 VanDerWaalsContact O-N 3.12Å; V956-F959 PolarHBondContact O-N 3.42Å; F959-L969 HydrophobicContact CD1-CD2 4.25Å; F959-L969 HydrophobicContact CE1-CD2 4.49Å
960	R	84.8	Confident	85.6	Confident	194 Å²	194	73.6 Å²	73.6	73%	0.732	35%	0.345	S	S	*	.			trans	-117.8	133.9	178.2	-69.4	-172	177.6	-175	-0.8	111.7	R962	R960-R962 PolarHBondContact O-N 2.88Å
961	I	86.1	Confident	85.5	Confident	3 Å²	3	72.4 Å²	72.4	2%	0.015	34%	0.338	C	S	.	.			trans	-75.8	115	177.6	-57.4	172.5	0	0	0	109.2	L888 L900 H963 R964 P965 L969	L888-I961 HydrophobicContact CD1-CD1 4.01Å; L900-I961 HydrophobicContact CD1-CB 4.46Å; L900-I961 HydrophobicContact CD1-CG1 3.96Å; L900-I961 HydrophobicContact CD1-CG2 4.15Å; I961-H963 VanDerWaalsContact C-N 3.3Å; I961-H963 WeakPolarHBondContact CG2-CE1 3.32Å; I961-H963 WeakPolarHBondContact CG2-ND1 3.18Å; I961-H963 PolarHBondContact O-N 2.84Å; I961-R964 HydrophobicContact CB-CB 4.43Å; I961-R964 HydrophobicContact CG2-CB 4.07Å; I961-R964 CarbonylContact O-C 3.6Å; I961-R964 PolarHBondContact O-N 3Å; I961-P965 WeakPolarHBondContact O-CA 3.32Å; I961-P965 VanDerWaalsContact O-N 3.14Å; I961-L969 HydrophobicContact CD1-CD1 4.42Å
962	R	82.7	Confident	85.6	Confident	184 Å²	184	73.8 Å²	73.8	69%	0.694	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-42.2	-175	-65.6	-170.8	-162.4	-162.3	3.9	114.2	D903 R960	D903-R962 IonicContact OD1-CZ 3.68Å; D903-R962 IonicContact OD1-NE 3.31Å; D903-R962 IonicContact OD1-NH2 2.77Å; D903-R962 PolarHBondContact OD1-NH2 2.98Å; D903-R962 IonicContact OD2-CZ 3.19Å; D903-R962 IonicContact OD2-NE 2.67Å; D903-R962 PolarHBondContact OD2-NE 3.15Å; D903-R962 IonicContact OD2-NH2 2.78Å; D903-R962 PolarHBondContact OD2-NH2 3.39Å; R960-R962 PolarHBondContact O-N 2.88Å
963	H	82.8	Confident	85.7	Confident	54 Å²	54	73.8 Å²	73.8	25%	0.25	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-10	-177.8	61.8	-81.6	0	0	0	113.4	S892 Q896 I961	S892-H963 PolarHBondContact OG-CD2 2.84Å; S892-H963 PolarHBondContact OG-NE2 2.77Å; Q896-H963 HydrophobicContact CG-CB 4.38Å; I961-H963 VanDerWaalsContact C-N 3.3Å; I961-H963 WeakPolarHBondContact CG2-CE1 3.32Å; I961-H963 WeakPolarHBondContact CG2-ND1 3.18Å; I961-H963 PolarHBondContact O-N 2.84Å
964	R	80.8	Confident	85.9	Confident	56 Å²	56	73.2 Å²	73.2	21%	0.211	33%	0.333	C	S	.	.			trans	-146.5	70.5	179.5	-69.8	-171.4	178.8	-163.5	-1.4	111.2	E891 I961 Q966 E967	E891-R964 IonicContact OE2-CZ 2.93Å; E891-R964 VanDerWaalsContact OE2-CZ 3.28Å; E891-R964 IonicContact OE2-NH1 3.32Å; E891-R964 PolarHBondContact OE2-NH1 3.35Å; E891-R964 IonicContact OE2-NH2 3.15Å; E891-R964 PolarHBondContact OE2-NH2 2.8Å; I961-R964 HydrophobicContact CB-CB 4.43Å; I961-R964 HydrophobicContact CG2-CB 4.07Å; I961-R964 CarbonylContact O-C 3.6Å; I961-R964 PolarHBondContact O-N 3Å; R964-Q966 PolarHBondContact O-N 3.39Å; R964-E967 HydrophobicContact CB-CB 4.45Å; R964-E967 WeakPolarHBondContact CD-OE2 3.31Å; R964-E967 IonicContact NH1-OE1 3Å; R964-E967 PolarHBondContact NH1-OE1 3.42Å; R964-E967 IonicContact NH1-OE2 2.6Å; R964-E967 PolarHBondContact NH1-OE2 2.99Å; R964-E967 PolarHBondContact O-N 3.03Å
965	P	78.9	Confident	86.3	Confident	85 Å²	85	69.1 Å²	69.1	55%	0.552	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-9.8	-172.3	26	-35.1	0	0	0	114.9	I961	I961-P965 WeakPolarHBondContact O-CA 3.32Å; I961-P965 VanDerWaalsContact O-N 3.14Å
966	Q	78.9	Confident	86.6	Confident	195 Å²	195	68.9 Å²	68.9	91%	0.911	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-13.5	178.6	-63.3	-170.3	-5.5	0	0	113.7	R964	R964-Q966 PolarHBondContact O-N 3.39Å
967	E	79.9	Confident	86.9	Confident	92 Å²	92	69.2 Å²	69.2	43%	0.43	31%	0.309	S	S	.	.	S	Bend	trans	-96.1	128.1	177.1	-72.5	-178.5	174.2	0	0	110.1	R964	R964-E967 HydrophobicContact CB-CB 4.45Å; R964-E967 WeakPolarHBondContact CD-OE2 3.31Å; R964-E967 IonicContact NH1-OE1 3Å; R964-E967 PolarHBondContact NH1-OE1 3.42Å; R964-E967 IonicContact NH1-OE2 2.6Å; R964-E967 PolarHBondContact NH1-OE2 2.99Å; R964-E967 PolarHBondContact O-N 3.03Å
968	Q	82.9	Confident	87.2	Confident	109 Å²	109	63.3 Å²	63.3	51%	0.509	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-89.7	131.1	175.7	-172	177.5	29.6	0	0	110.5
969	L	86.5	Confident	87.5	Confident	4 Å²	4	62.7 Å²	62.7	2%	0.021	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-68.1	131.3	173.5	-166.8	76.4	0	0	0	110	I882 L904 V956 F959 I961	I882-L969 HydrophobicContact CD1-CD1 4.44Å; I882-L969 HydrophobicContact CG2-CD1 3.53Å; I882-L969 HydrophobicContact CG2-CG 4.35Å; L904-L969 HydrophobicContact CD1-CD2 3.47Å; L904-L969 VanDerWaalsContact CD1-CD2 3.47Å; L904-L969 HydrophobicContact CD2-CD2 3.76Å; L904-L969 HydrophobicContact CG-CD2 4.24Å; V956-L969 HydrophobicContact CG1-CB 4.22Å; V956-L969 HydrophobicContact CG1-CD2 4.25Å; V956-L969 HydrophobicContact CG1-CG 4.45Å; V956-L969 WeakPolarHBondContact CG1-O 3.47Å; F959-L969 HydrophobicContact CD1-CD2 4.25Å; F959-L969 HydrophobicContact CE1-CD2 4.49Å; I961-L969 HydrophobicContact CD1-CD1 4.42Å
970	R	89.4	Confident	87.8	Confident	129 Å²	129	61.6 Å²	61.6	49%	0.487	28%	0.279	S	S	.	.			trans	-116.5	115.2	179	-70.5	-179.3	-70.5	173.1	-2.4	109.7	V883 A1011 L1012	V883-R970 HydrophobicContact CB-CB 4.17Å; V883-R970 PolarHBondContact N-O 3.05Å; R970-A1011 HydrophobicContact CB-CB 4.3Å; R970-L1012 HydrophobicContact CB-CG 4.46Å; R970-L1012 HydrophobicContact CG-CD1 4.31Å; R970-L1012 HydrophobicContact CG-CG 4.26Å
971	L	89.9	Confident	88.1	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	139.7	177.6	-163.6	72.5	0	0	0	110.2	D881 I882 F908 V956 I973 L1012	D881-L971 WeakPolarHBondContact O-CD1 3.45Å; I882-L971 HydrophobicContact CG1-CD1 4.45Å; F908-L971 HydrophobicContact CE2-CD1 4.46Å; F908-L971 HydrophobicContact CZ-CD1 4.26Å; F908-L971 HydrophobicContact CZ-CD2 4.04Å; V956-L971 HydrophobicContact CG1-CB 4.38Å; V956-L971 HydrophobicContact CG2-CB 4.49Å; V956-L971 HydrophobicContact CG2-CD2 4.26Å; L971-I973 HydrophobicContact CD2-CD1 3.81Å; L971-I973 HydrophobicContact CD2-CG1 3.77Å; L971-I973 HydrophobicContact CG-CG1 4.07Å; L971-L1012 WeakPolarHBondContact O-CA 3.23Å; L971-L1012 PolarHBondContact O-N 3.48Å
972	R	91.9	Very high	88.1	Confident	65 Å²	65	54.5 Å²	54.5	25%	0.245	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.7	164.6	57	177.7	172.3	167.6	11.2	108.8	S880 D881 V883 E1006 S1007	S880-R972 CarbonylContact C-O 3.59Å; S880-R972 WeakPolarHBondContact CA-O 3.34Å; S880-R972 WeakPolarHBondContact CB-O 3.33Å; D881-R972 HydrophobicContact CB-CG 3.92Å; D881-R972 PolarHBondContact N-O 3.06Å; D881-R972 WeakPolarHBondContact O-CG 3.33Å; D881-R972 PolarHBondContact O-N 3.13Å; D881-R972 IonicContact OD2-CZ 3.64Å; D881-R972 IonicContact OD2-NE 2.73Å; D881-R972 PolarHBondContact OD2-NE 3.04Å; D881-R972 IonicContact OD2-NH2 2.75Å; D881-R972 PolarHBondContact OD2-NH2 3.49Å; V883-R972 HydrophobicContact CG2-CB 3.92Å; V883-R972 HydrophobicContact CG2-CG 3.83Å; R972-E1006 WeakPolarHBondContact CD-OE1 3.49Å; R972-E1006 WeakPolarHBondContact CG-OE1 3.43Å; R972-E1006 IonicContact CZ-OE1 3.41Å; R972-E1006 IonicContact NE-OE1 3.25Å; R972-E1006 PolarHBondContact NE-OE1 2.73Å; R972-E1006 IonicContact NH1-OE1 2.69Å; R972-E1006 IonicContact NH2-OE1 3.66Å; R972-S1007 PolarHBondContact NH1-O 2.65Å
973	I	94.1	Very high	88.3	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135.7	-173.7	-62.1	169.7	0	0	0	110	Y878 F879 A949 L953 L971 I975 K1013 I1014 H1015	Y878-I973 HydrophobicContact CD2-CG2 3.71Å; Y878-I973 HydrophobicContact CE2-CB 4.28Å; Y878-I973 HydrophobicContact CE2-CD1 3.99Å; Y878-I973 HydrophobicContact CE2-CG1 4.05Å; Y878-I973 HydrophobicContact CE2-CG2 3.26Å; Y878-I973 WeakPolarHBondContact OH-CD1 3.45Å; Y878-I973 WeakPolarHBondContact OH-CG1 3.31Å; F879-I973 CarbonylContact O-C 3.59Å; F879-I973 WeakPolarHBondContact O-CA 3.43Å; A949-I973 HydrophobicContact CB-CG2 4.42Å; L953-I973 HydrophobicContact CB-CD1 4.49Å; L953-I973 HydrophobicContact CD1-CD1 4.29Å; L971-I973 HydrophobicContact CD2-CD1 3.81Å; L971-I973 HydrophobicContact CD2-CG1 3.77Å; L971-I973 HydrophobicContact CG-CG1 4.07Å; I973-I975 HydrophobicContact CG2-CD1 4.3Å; I973-I975 HydrophobicContact CG2-CG1 4.03Å; I973-K1013 PolarHBondContact N-O 2.84Å; I973-I1014 HydrophobicContact CB-CB 4.47Å; I973-I1014 HydrophobicContact CB-CG1 4.11Å; I973-I1014 HydrophobicContact CD1-CD1 4.48Å; I973-I1014 HydrophobicContact CD1-CG1 3.78Å; I973-I1014 HydrophobicContact CG2-CB 4.44Å; I973-I1014 HydrophobicContact CG2-CG1 4.23Å; I973-I1014 HydrophobicContact CG2-CG2 3.99Å; I973-H1015 WeakPolarHBondContact O-CB 3.44Å; I973-H1015 PolarHBondContact O-N 3.37Å
974	G	94.3	Very high	88.3	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	137	170.3	0	0	0	0	0	112.3	F879 H1015	F879-G974 PolarHBondContact N-O 3.22Å; F879-G974 PolarHBondContact O-N 3.05Å; G974-H1015 CarbonylContact C-O 3.52Å; G974-H1015 WeakPolarHBondContact CA-O 3.34Å
975	I	95.4	Very high	88.2	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	132.5	-179	-51.9	172.1	0	0	0	109.9	T876 I877 Y878 V945 A949 I973 I1014 H1015 L1016 S1017 T1020	T876-I975 HydrophobicContact CG2-CG2 3.33Å; I877-I975 WeakPolarHBondContact O-CA 3.42Å; Y878-I975 HydrophobicContact CD2-CD1 4.34Å; Y878-I975 HydrophobicContact CD2-CG1 4.15Å; V945-I975 HydrophobicContact CG1-CD1 4.08Å; V945-I975 HydrophobicContact CG1-CG1 4.31Å; V945-I975 HydrophobicContact CG1-CG2 3.87Å; A949-I975 HydrophobicContact CB-CD1 3.78Å; I973-I975 HydrophobicContact CG2-CD1 4.3Å; I973-I975 HydrophobicContact CG2-CG1 4.03Å; I975-I1014 HydrophobicContact CD1-CG2 3.48Å; I975-I1014 VanDerWaalsContact CD1-CG2 3.48Å; I975-I1014 HydrophobicContact CG1-CG2 4.19Å; I975-H1015 PolarHBondContact N-O 2.93Å; I975-L1016 HydrophobicContact CB-CD2 3.63Å; I975-L1016 HydrophobicContact CD1-CD2 3.78Å; I975-L1016 HydrophobicContact CG1-CD2 4.09Å; I975-L1016 HydrophobicContact CG2-CD2 4.26Å; I975-S1017 PolarHBondContact O-N 3.28Å; I975-T1020 HydrophobicContact CG2-CG2 3.93Å
976	H	95.1	Very high	87.9	Confident	13 Å²	13	44 Å²	44	6%	0.06	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	145.9	175.1	177.8	61	0	0	0	111.6	I877 T1001 A1002 M1005 S1017 E1019 T1020	I877-H976 PolarHBondContact N-O 2.97Å; I877-H976 PolarHBondContact O-N 3.1Å; I877-H976 VanDerWaalsContact O-N 3.14Å; H976-T1001 HydrophobicContact CB-CG2 4.43Å; H976-A1002 HydrophobicContact CB-CB 3.9Å; H976-M1005 HydrophobicContact CB-CG 4.35Å; H976-S1017 WeakPolarHBondContact ND1-CB 3.49Å; H976-S1017 PolarHBondContact ND1-OG 3.27Å; H976-E1019 IonicContact CE1-OE2 3.49Å; H976-E1019 IonicContact ND1-OE2 3.62Å; H976-T1020 VanDerWaalsContact C-OG1 3.31Å; H976-T1020 VanDerWaalsContact CA-OG1 3.25Å; H976-T1020 WeakPolarHBondContact CA-OG1 3.45Å
977	T	94.3	Very high	87.3	Confident	7 Å²	7	43.5 Å²	43.5	4%	0.043	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.8	179.8	-57.1	0	0	0	0	109.8	V875 T876 E1019 T1020 V1023	V875-T977 CarbonylContact O-C 3.36Å; V875-T977 VanDerWaalsContact O-CA 3.26Å; V875-T977 WeakPolarHBondContact O-CA 3.27Å; T876-T977 PolarHBondContact OG1-OG1 3Å; T977-E1019 WeakPolarHBondContact O-CB 3.45Å; T977-T1020 PolarHBondContact N-OG1 3.37Å; T977-T1020 WeakPolarHBondContact OG1-CA 3.49Å; T977-T1020 PolarHBondContact OG1-OG1 3.23Å; T977-V1023 HydrophobicContact CG2-CG2 4.18Å
978	G	92.1	Very high	86.5	Confident	10 Å²	10	48.7 Å²	48.7	10%	0.103	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.3	-177.3	176.9	0	0	0	0	0	113.5	V875 T998	V875-G978 WeakPolarHBondContact CG2-O 3.44Å; V875-G978 PolarHBondContact N-O 3.33Å; V875-G978 PolarHBondContact O-N 3.19Å; G978-T998 VanDerWaalsContact C-OG1 3.32Å; G978-T998 WeakPolarHBondContact CA-OG1 3.36Å
979	P	91.7	Very high	85.9	Confident	84 Å²	84	50 Å²	50	55%	0.545	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	142.4	-178.1	30	-34.5	0	0	0	112.9	F872 D873 T998	F872-P979 CarbonylContact O-C 3.55Å; F872-P979 VanDerWaalsContact O-CA 3.24Å; F872-P979 WeakPolarHBondContact O-CA 3.48Å; D873-P979 WeakPolarHBondContact O-CA 3.22Å; D873-P979 WeakPolarHBondContact O-CB 3.17Å; P979-T998 PolarHBondContact O-OG1 3.45Å
980	V	92.1	Very high	85.3	Confident	7 Å²	7	51.8 Å²	51.8	4%	0.042	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	150.6	178.3	79.7	0	0	0	0	111.2	F872 V875 L933 L994 F995 V999	F872-V980 HydrophobicContact CB-CG1 4.18Å; F872-V980 HydrophobicContact CD2-CG1 4.47Å; F872-V980 PolarHBondContact N-O 3.14Å; F872-V980 PolarHBondContact O-N 3.36Å; V875-V980 HydrophobicContact CB-CG1 4.38Å; V875-V980 HydrophobicContact CG1-CG1 4.08Å; V875-V980 HydrophobicContact CG2-CB 3.9Å; V875-V980 HydrophobicContact CG2-CG1 3.42Å; V875-V980 VanDerWaalsContact CG2-CG1 3.42Å; L933-V980 HydrophobicContact CD2-CG1 3.77Å; V980-L994 HydrophobicContact CG1-CD2 4.45Å; V980-L994 HydrophobicContact CG2-CB 3.84Å; V980-L994 HydrophobicContact CG2-CD2 4.19Å; V980-L994 HydrophobicContact CG2-CG 4.19Å; V980-F995 VanDerWaalsContact CG2-O 3.22Å; V980-F995 WeakPolarHBondContact CG2-O 3.4Å; V980-V999 HydrophobicContact CG2-CG2 4.2Å
981	C	89.4	Confident	84.8	Confident	47 Å²	47	51.5 Å²	51.5	32%	0.318	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.8	165.5	-174.9	0	0	0	0	109	E870 F995	E870-C981 CarbonylContact O-C 3.43Å; E870-C981 WeakPolarHBondContact O-CA 3.21Å; E870-C981 PolarHBondContact O-SG 3.41Å; C981-F995 PolarHBondContact N-O 3.23Å; C981-F995 PolarHBondContact O-N 3.4Å
982	A	88	Confident	84.5	Confident	1 Å²	1	52 Å²	52	1%	0.008	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	145.1	179	0	0	0	0	0	111.2	A869 E870 F872 L933 Y992 C993 L994	A869-A982 CarbonylContact C-O 3.5Å; A869-A982 WeakPolarHBondContact CA-O 3.35Å; E870-A982 PolarHBondContact N-O 3.21Å; E870-A982 PolarHBondContact O-N 3.01Å; F872-A982 HydrophobicContact CD2-CB 4.21Å; F872-A982 HydrophobicContact CE2-CB 3.9Å; L933-A982 HydrophobicContact CD2-CB 4.3Å; A982-Y992 HydrophobicContact CB-CE1 3.76Å; A982-Y992 WeakPolarHBondContact CB-OH 3.34Å; A982-C993 WeakPolarHBondContact CA-O 3.35Å; A982-L994 HydrophobicContact CB-CG 4.37Å
983	G	85.4	Confident	84.1	Confident	6 Å²	6	50.2 Å²	50.2	6%	0.062	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172	167.1	-179.1	0	0	0	0	0	113	C993	G983-C993 PolarHBondContact N-O 2.98Å; G983-C993 VanDerWaalsContact N-O 3.08Å; G983-C993 PolarHBondContact O-N 3.29Å
984	V	83.3	Confident	83.8	Confident	37 Å²	37	51 Å²	51	22%	0.224	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	124.9	178.7	179.6	0	0	0	0	110.4	V857 V867 P990 R991 Y992	V857-V984 HydrophobicContact CG1-CG2 3.42Å; V857-V984 VanDerWaalsContact CG1-CG2 3.42Å; V867-V984 HydrophobicContact CB-CB 4.43Å; V867-V984 HydrophobicContact CB-CG2 4.12Å; V867-V984 HydrophobicContact CG1-CB 4.47Å; V867-V984 HydrophobicContact CG1-CG2 3.86Å; V867-V984 HydrophobicContact CG2-CG2 4.4Å; V984-P990 HydrophobicContact CG1-CB 3.43Å; V984-P990 VanDerWaalsContact CG1-CB 3.43Å; V984-R991 CarbonylContact C-O 3.11Å; V984-R991 VanDerWaalsContact CA-O 3.3Å; V984-R991 WeakPolarHBondContact CA-O 3.42Å; V984-Y992 HydrophobicContact CG2-CD2 4Å
985	V	79.2	Confident	83.4	Confident	70 Å²	70	56.5 Å²	56.5	42%	0.424	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.5	178.7	-175.7	0	0	0	0	110	R991 C993 F995	V985-R991 PolarHBondContact N-O 2.76Å; V985-R991 PolarHBondContact O-N 2.71Å; V985-C993 HydrophobicContact CG2-CB 4.09Å; V985-F995 HydrophobicContact CG2-CE2 3.84Å; V985-F995 HydrophobicContact CG2-CZ 3.88Å
986	G	72.1	Confident	83	Confident	44 Å²	44	58 Å²	58	45%	0.454	32%	0.319	S	S	.	.			trans	94.5	132.7	178.1	0	0	0	0	0	113.7	P990	G986-P990 WeakPolarHBondContact O-CA 3.46Å
987	L	66.6	Low	82.6	Confident	185 Å²	185	61.1 Å²	61.1	97%	0.969	34%	0.336	S	S	*	.	S	Bend	trans	-85.6	-32.8	-179.6	-66.5	172.2	0	0	0	113.3
988	K	64	Low	82.4	Confident	202 Å²	202	61 Å²	61	88%	0.878	34%	0.336	S	S	*	.	S	Bend	trans	-93.9	-28.4	-174.7	-166	173.5	-178	178.9	0	113.4
989	M	69.8	Low	82.3	Confident	137 Å²	137	61.7 Å²	61.7	68%	0.675	34%	0.337	S	S	*	.	S	Bend	trans	-138.4	83.2	174.3	-76.6	-174.6	-77.6	0	0	107.3	R991	M989-R991 PolarHBondContact O-N 2.93Å
990	P	72.5	Confident	82.2	Confident	41 Å²	41	61.9 Å²	61.9	27%	0.266	33%	0.334	S	S	.	.			trans	-66.1	126.9	-176.7	26.2	-32.9	0	0	0	110.2	L853 V984 G986	L853-P990 HydrophobicContact CD1-CB 4.35Å; L853-P990 HydrophobicContact CD1-CG 4.14Å; V984-P990 HydrophobicContact CG1-CB 3.43Å; V984-P990 VanDerWaalsContact CG1-CB 3.43Å; G986-P990 WeakPolarHBondContact O-CA 3.46Å
991	R	78.7	Confident	82.1	Confident	122 Å²	122	62 Å²	62	46%	0.46	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.7	177.3	-69.6	163.3	174	-128.3	7.3	109.7	E921 V984 V985 M989 C993	E921-R991 VanDerWaalsContact CD-NH1 3.33Å; E921-R991 WeakPolarHBondContact OE1-CD 3.42Å; E921-R991 VanDerWaalsContact OE1-CG 3.25Å; E921-R991 WeakPolarHBondContact OE1-CG 3.37Å; E921-R991 IonicContact OE1-CZ 3.45Å; E921-R991 IonicContact OE1-NE 3.28Å; E921-R991 IonicContact OE1-NH1 2.81Å; E921-R991 PolarHBondContact OE1-NH1 2.96Å; E921-R991 IonicContact OE2-NH1 2.7Å; E921-R991 PolarHBondContact OE2-NH1 3.25Å; E921-R991 VanDerWaalsContact OE2-NH1 3.11Å; V984-R991 CarbonylContact C-O 3.11Å; V984-R991 VanDerWaalsContact CA-O 3.3Å; V984-R991 WeakPolarHBondContact CA-O 3.42Å; V985-R991 PolarHBondContact N-O 2.76Å; V985-R991 PolarHBondContact O-N 2.71Å; M989-R991 PolarHBondContact O-N 2.93Å; R991-C993 PolarHBondContact O-N 2.85Å
992	Y	83.8	Confident	82.1	Confident	13 Å²	13	59.8 Å²	59.8	5%	0.051	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	99.1	175	-166.6	-99.9	0	0	0	109.3	P854 V857 Y918 L933 A982 V984	P854-Y992 HydrophobicContact CG-CD1 4.28Å; P854-Y992 HydrophobicContact CG-CD2 4.41Å; P854-Y992 HydrophobicContact CG-CG 4.13Å; V857-Y992 HydrophobicContact CG2-CD2 4.06Å; V857-Y992 HydrophobicContact CG2-CE2 3.82Å; Y918-Y992 HydrophobicContact CD1-CD1 4.46Å; Y918-Y992 AromaticContact CE1-CD1 3.79Å; Y918-Y992 HydrophobicContact CE1-CD1 3.79Å; L933-Y992 HydrophobicContact CD1-CE1 3.78Å; A982-Y992 HydrophobicContact CB-CE1 3.76Å; A982-Y992 WeakPolarHBondContact CB-OH 3.34Å; V984-Y992 HydrophobicContact CG2-CD2 4Å
993	C	84.5	Confident	82.2	Confident	27 Å²	27	62 Å²	62	18%	0.182	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	148.1	-172.5	-62.3	0	0	0	0	111.8	A982 G983 V985 R991 F995	A982-C993 WeakPolarHBondContact CA-O 3.35Å; G983-C993 PolarHBondContact N-O 2.98Å; G983-C993 VanDerWaalsContact N-O 3.08Å; G983-C993 PolarHBondContact O-N 3.29Å; V985-C993 HydrophobicContact CG2-CB 4.09Å; R991-C993 PolarHBondContact O-N 2.85Å; C993-F995 HydrophobicContact CB-CE2 3.68Å; C993-F995 HydrophobicContact CB-CZ 3.82Å
994	L	87.7	Confident	82.4	Confident	17 Å²	17	65 Å²	65	9%	0.089	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136.1	174.6	-76.7	71.9	0	0	0	110.2	I877 V920 M928 V930 L933 V980 A982 V999	I877-L994 HydrophobicContact CD1-CD2 4.07Å; V920-L994 HydrophobicContact CB-CD1 4.29Å; V920-L994 HydrophobicContact CG1-CD1 3.65Å; V920-L994 HydrophobicContact CG2-CD1 3.58Å; V920-L994 HydrophobicContact CG2-CD2 4.42Å; M928-L994 HydrophobicContact CE-CD2 4.04Å; V930-L994 HydrophobicContact CB-CD2 4.19Å; V930-L994 HydrophobicContact CG1-CD2 4.21Å; V930-L994 HydrophobicContact CG2-CD2 4.01Å; L933-L994 HydrophobicContact CD2-CD1 4.47Å; L933-L994 HydrophobicContact CD2-CD2 3.78Å; L933-L994 HydrophobicContact CD2-CG 4.02Å; V980-L994 HydrophobicContact CG1-CD2 4.45Å; V980-L994 HydrophobicContact CG2-CB 3.84Å; V980-L994 HydrophobicContact CG2-CD2 4.19Å; V980-L994 HydrophobicContact CG2-CG 4.19Å; A982-L994 HydrophobicContact CB-CG 4.37Å; L994-V999 HydrophobicContact CB-CG2 3.99Å
995	F	85.3	Confident	82.8	Confident	115 Å²	115	63.2 Å²	63.2	50%	0.504	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	128.4	179.1	-61.1	-80.8	0	0	0	110.4	V980 C981 V985 C993	V980-F995 VanDerWaalsContact CG2-O 3.22Å; V980-F995 WeakPolarHBondContact CG2-O 3.4Å; C981-F995 PolarHBondContact N-O 3.23Å; C981-F995 PolarHBondContact O-N 3.4Å; V985-F995 HydrophobicContact CG2-CE2 3.84Å; V985-F995 HydrophobicContact CG2-CZ 3.88Å; C993-F995 HydrophobicContact CB-CE2 3.68Å; C993-F995 HydrophobicContact CB-CZ 3.82Å
996	G	87.1	Confident	83.4	Confident	33 Å²	33	60.5 Å²	60.5	34%	0.34	32%	0.316	S	S	.	.	S	Bend	trans	158	164.4	175.6	0	0	0	0	0	112.9	T998 V999	G996-T998 PolarHBondContact O-N 3.11Å; G996-V999 PolarHBondContact O-N 3.44Å
997	D	87.7	Confident	84.2	Confident	79 Å²	79	60.9 Å²	60.9	42%	0.422	31%	0.312	S	S	.	.	H	α-helix	trans	-65.1	-23.2	175.9	-176.5	59.6	0	0	0	112.5	V999 N1000 T1001 K1043	D997-V999 VanDerWaalsContact C-N 3.33Å; D997-V999 PolarHBondContact O-N 2.84Å; D997-N1000 PolarHBondContact O-N 3.48Å; D997-T1001 WeakPolarHBondContact O-CB 3.28Å; D997-T1001 PolarHBondContact O-N 2.91Å; D997-T1001 PolarHBondContact O-OG1 2.85Å; D997-K1043 IonicContact OD1-NZ 3.33Å; D997-K1043 VanDerWaalsContact OD2-CE 3.25Å; D997-K1043 WeakPolarHBondContact OD2-CE 3.17Å; D997-K1043 IonicContact OD2-NZ 2.59Å; D997-K1043 PolarHBondContact OD2-NZ 3.41Å
998	T	90.4	Very high	85.2	Confident	5 Å²	5	54.7 Å²	54.7	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-60.6	-39	175	-58.5	0	0	0	0	112.2	I877 G978 P979 G996 T1001 A1002	I877-T998 HydrophobicContact CD1-CG2 3.79Å; I877-T998 HydrophobicContact CG1-CG2 4.19Å; G978-T998 VanDerWaalsContact C-OG1 3.32Å; G978-T998 WeakPolarHBondContact CA-OG1 3.36Å; P979-T998 PolarHBondContact O-OG1 3.45Å; G996-T998 PolarHBondContact O-N 3.11Å; T998-T1001 PolarHBondContact O-N 3.11Å; T998-A1002 WeakPolarHBondContact O-CB 3.34Å; T998-A1002 PolarHBondContact O-N 2.83Å
999	V	89.6	Confident	86.3	Confident	23 Å²	23	45.9 Å²	45.9	14%	0.139	25%	0.246	C	C	.	.	H	α-helix	trans	-63.5	-47.2	176.5	-176.5	0	0	0	0	110.5	I877 F879 M928 V980 L994 G996 D997 T1001 A1002 S1003	I877-V999 HydrophobicContact CD1-CB 4.4Å; I877-V999 HydrophobicContact CD1-CG2 3.75Å; F879-V999 HydrophobicContact CE2-CG1 4.07Å; F879-V999 HydrophobicContact CZ-CG1 3.9Å; M928-V999 HydrophobicContact CE-CG1 4.07Å; M928-V999 HydrophobicContact CE-CG2 4.45Å; V980-V999 HydrophobicContact CG2-CG2 4.2Å; L994-V999 HydrophobicContact CB-CG2 3.99Å; G996-V999 PolarHBondContact O-N 3.44Å; D997-V999 VanDerWaalsContact C-N 3.33Å; D997-V999 PolarHBondContact O-N 2.84Å; V999-T1001 VanDerWaalsContact C-N 3.34Å; V999-T1001 PolarHBondContact O-N 3.02Å; V999-A1002 PolarHBondContact O-N 3.1Å; V999-S1003 PolarHBondContact O-N 3.32Å
1000	N	88.7	Confident	87.2	Confident	89 Å²	89	43.3 Å²	43.3	48%	0.476	23%	0.233	S	C	.	.	H	α-helix	trans	-65	-38.7	179.5	-68.1	-41.6	0	0	0	112.1	D997 R1004	D997-N1000 PolarHBondContact O-N 3.48Å; N1000-R1004 VanDerWaalsContact O-CG 3.26Å; N1000-R1004 WeakPolarHBondContact O-CG 3.4Å; N1000-R1004 PolarHBondContact O-N 2.99Å
1001	T	89.3	Confident	88	Confident	9 Å²	9	43.3 Å²	43.3	6%	0.055	24%	0.236	C	C	.	.	H	α-helix	trans	-69.9	-41	178.7	-59.4	0	0	0	0	110.8	H976 D997 T998 V999 R1004 M1005	H976-T1001 HydrophobicContact CB-CG2 4.43Å; D997-T1001 WeakPolarHBondContact O-CB 3.28Å; D997-T1001 PolarHBondContact O-N 2.91Å; D997-T1001 PolarHBondContact O-OG1 2.85Å; T998-T1001 PolarHBondContact O-N 3.11Å; V999-T1001 VanDerWaalsContact C-N 3.34Å; V999-T1001 PolarHBondContact O-N 3.02Å; T1001-R1004 WeakPolarHBondContact O-CB 3.5Å; T1001-R1004 PolarHBondContact O-N 2.99Å; T1001-R1004 VanDerWaalsContact O-N 3.15Å; T1001-M1005 HydrophobicContact CG2-CE 3.78Å; T1001-M1005 WeakPolarHBondContact O-CG 3.42Å; T1001-M1005 PolarHBondContact O-N 3.04Å
1002	A	91	Very high	88.5	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.5	-45.2	175.3	0	0	0	0	0	112.4	I877 F879 H976 T998 V999 R1004 M1005 E1006	I877-A1002 HydrophobicContact CB-CB 3.98Å; I877-A1002 HydrophobicContact CG2-CB 3.96Å; F879-A1002 HydrophobicContact CD2-CB 3.57Å; F879-A1002 HydrophobicContact CE2-CB 3.93Å; H976-A1002 HydrophobicContact CB-CB 3.9Å; T998-A1002 WeakPolarHBondContact O-CB 3.34Å; T998-A1002 PolarHBondContact O-N 2.83Å; V999-A1002 PolarHBondContact O-N 3.1Å; A1002-R1004 VanDerWaalsContact C-N 3.28Å; A1002-R1004 PolarHBondContact O-N 3.31Å; A1002-M1005 WeakPolarHBondContact O-CB 3.45Å; A1002-M1005 PolarHBondContact O-N 2.99Å; A1002-M1005 VanDerWaalsContact O-N 3.1Å; A1002-E1006 PolarHBondContact O-N 3.22Å
1003	S	89.9	Confident	88.8	Confident	47 Å²	47	42.9 Å²	42.9	33%	0.329	24%	0.24	S	C	.	.	H	α-helix	trans	-62	-33.6	173.5	171.4	0	0	0	0	112.7	V999 E1006 S1007	V999-S1003 PolarHBondContact O-N 3.32Å; S1003-E1006 PolarHBondContact O-N 2.9Å; S1003-S1007 PolarHBondContact O-N 3.21Å; S1003-S1007 PolarHBondContact O-OG 2.75Å
1004	R	89.3	Confident	89.3	Confident	69 Å²	69	41.7 Å²	41.7	26%	0.26	23%	0.231	S	C	.	.	H	α-helix	trans	-71	-32.9	173	-72.3	171	-170.5	168	3.8	113	N1000 T1001 A1002 E1006 S1007 N1008 M1040 K1041	N1000-R1004 VanDerWaalsContact O-CG 3.26Å; N1000-R1004 WeakPolarHBondContact O-CG 3.4Å; N1000-R1004 PolarHBondContact O-N 2.99Å; T1001-R1004 WeakPolarHBondContact O-CB 3.5Å; T1001-R1004 PolarHBondContact O-N 2.99Å; T1001-R1004 VanDerWaalsContact O-N 3.15Å; A1002-R1004 VanDerWaalsContact C-N 3.28Å; A1002-R1004 PolarHBondContact O-N 3.31Å; R1004-E1006 VanDerWaalsContact C-N 3.32Å; R1004-S1007 WeakPolarHBondContact CA-OG 3.19Å; R1004-S1007 PolarHBondContact O-OG 3.13Å; R1004-N1008 WeakPolarHBondContact O-CB 3.44Å; R1004-N1008 PolarHBondContact O-N 3.17Å; R1004-N1008 PolarHBondContact O-ND2 3.05Å; R1004-M1040 HydrophobicContact CB-SD 4.39Å; R1004-K1041 PolarHBondContact NE-O 3.46Å; R1004-K1041 PolarHBondContact NH1-O 3.33Å; R1004-K1041 PolarHBondContact NH2-O 2.73Å
1005	M	91.3	Very high	89.6	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-62.6	-44	171.4	-64.8	-59.4	142.6	0	0	110.2	H976 T1001 A1002 G1009 H1015 M1040 V1046 T1048	H976-M1005 HydrophobicContact CB-CG 4.35Å; T1001-M1005 HydrophobicContact CG2-CE 3.78Å; T1001-M1005 WeakPolarHBondContact O-CG 3.42Å; T1001-M1005 PolarHBondContact O-N 3.04Å; A1002-M1005 WeakPolarHBondContact O-CB 3.45Å; A1002-M1005 PolarHBondContact O-N 2.99Å; A1002-M1005 VanDerWaalsContact O-N 3.1Å; M1005-G1009 PolarHBondContact O-N 3.18Å; M1005-H1015 PolarHBondContact O-ND1 3.4Å; M1005-M1040 HydrophobicContact CE-CE 3.31Å; M1005-M1040 HydrophobicContact CE-SD 3.37Å; M1005-M1040 WeakPolarHBondContact CE-SD 3.11Å; M1005-M1040 HydrophobicContact SD-CE 3.48Å; M1005-M1040 WeakPolarHBondContact SD-CE 3.28Å; M1005-M1040 HydrophobicContact SD-SD 4.32Å; M1005-V1046 HydrophobicContact CE-CG1 4.35Å; M1005-T1048 HydrophobicContact CE-CG2 4.4Å; M1005-T1048 HydrophobicContact SD-CG2 3.94Å
1006	E	91.7	Very high	90	Very high	12 Å²	12	35.4 Å²	35.4	6%	0.056	20%	0.203	C	C	.	.	H	α-helix	trans	-64.8	-52.8	179.6	172.4	-75.1	123.7	0	0	111.2	F879 D881 R972 A1002 S1003 R1004 N1008 G1009	F879-E1006 HydrophobicContact CB-CB 3.7Å; F879-E1006 HydrophobicContact CB-CG 4Å; D881-E1006 HydrophobicContact CB-CG 4.17Å; D881-E1006 WeakPolarHBondContact CB-OE1 2.94Å; R972-E1006 WeakPolarHBondContact CD-OE1 3.49Å; R972-E1006 WeakPolarHBondContact CG-OE1 3.43Å; R972-E1006 IonicContact CZ-OE1 3.41Å; R972-E1006 IonicContact NE-OE1 3.25Å; R972-E1006 PolarHBondContact NE-OE1 2.73Å; R972-E1006 IonicContact NH1-OE1 2.69Å; R972-E1006 IonicContact NH2-OE1 3.66Å; A1002-E1006 PolarHBondContact O-N 3.22Å; S1003-E1006 PolarHBondContact O-N 2.9Å; R1004-E1006 VanDerWaalsContact C-N 3.32Å; E1006-N1008 VanDerWaalsContact C-N 3.27Å; E1006-N1008 PolarHBondContact O-N 3.49Å; E1006-G1009 WeakPolarHBondContact O-CA 3.33Å; E1006-G1009 PolarHBondContact O-N 3.11Å
1007	S	88.4	Confident	90.3	Very high	52 Å²	52	33.8 Å²	33.8	36%	0.364	19%	0.187	S	C	.	.	H	α-helix	trans	-64.3	-28.1	-175.7	51	0	0	0	0	114.3	R972 S1003 R1004	R972-S1007 PolarHBondContact NH1-O 2.65Å; S1003-S1007 PolarHBondContact O-N 3.21Å; S1003-S1007 PolarHBondContact O-OG 2.75Å; R1004-S1007 WeakPolarHBondContact CA-OG 3.19Å; R1004-S1007 PolarHBondContact O-OG 3.13Å
1008	N	89.1	Confident	90.4	Very high	56 Å²	56	31.8 Å²	31.8	30%	0.299	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	2.1	171.7	-69.4	-82.1	0	0	0	113	R1004 E1006 R1035 V1038	R1004-N1008 WeakPolarHBondContact O-CB 3.44Å; R1004-N1008 PolarHBondContact O-N 3.17Å; R1004-N1008 PolarHBondContact O-ND2 3.05Å; E1006-N1008 VanDerWaalsContact C-N 3.27Å; E1006-N1008 PolarHBondContact O-N 3.49Å; N1008-R1035 PolarHBondContact O-NH1 3.47Å; N1008-R1035 PolarHBondContact O-NH2 3.44Å; N1008-V1038 HydrophobicContact CB-CG1 4.21Å
1009	G	86.8	Confident	90.4	Very high	16 Å²	16	36.1 Å²	36.1	17%	0.165	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-70.4	166.4	178	0	0	0	0	0	113.3	M1005 E1006	M1005-G1009 PolarHBondContact O-N 3.18Å; E1006-G1009 WeakPolarHBondContact O-CA 3.33Å; E1006-G1009 PolarHBondContact O-N 3.11Å
1010	E	88.9	Confident	90.5	Very high	84 Å²	84	35 Å²	35	39%	0.393	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-103.8	154.8	173.3	-75.1	176.1	-166.2	0	0	110.3	L1012 K1013 W1050	E1010-L1012 PolarHBondContact O-N 2.84Å; E1010-K1013 HydrophobicContact CB-CB 4.36Å; E1010-K1013 HydrophobicContact CB-CD 4.1Å; E1010-K1013 HydrophobicContact CB-CG 4.42Å; E1010-K1013 PolarHBondContact O-N 3.45Å; E1010-K1013 WeakPolarHBondContact OE2-CE 3.49Å; E1010-K1013 IonicContact OE2-NZ 3.62Å; E1010-K1013 PolarHBondContact OE2-NZ 3.27Å; E1010-W1050 HydrophobicContact CB-CH2 3.83Å; E1010-W1050 HydrophobicContact CB-CZ2 4.38Å; E1010-W1050 HydrophobicContact CG-CH2 3.86Å; E1010-W1050 HydrophobicContact CG-CZ2 4.06Å
1011	A	89.2	Confident	90.6	Very high	41 Å²	41	32.6 Å²	32.6	34%	0.339	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	134.3	176.7	0	0	0	0	0	111.1	V883 R970 K1013	V883-A1011 HydrophobicContact CG2-CB 4.11Å; R970-A1011 HydrophobicContact CB-CB 4.3Å; A1011-K1013 PolarHBondContact O-N 3.21Å
1012	L	89	Confident	90.6	Very high	47 Å²	47	34.6 Å²	34.6	25%	0.246	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	26	-179.2	-57.9	173.1	0	0	0	114.9	L953 R970 L971 E1010	L953-L1012 HydrophobicContact CD1-CB 4.38Å; L953-L1012 HydrophobicContact CD1-CD2 4.14Å; R970-L1012 HydrophobicContact CB-CG 4.46Å; R970-L1012 HydrophobicContact CG-CD1 4.31Å; R970-L1012 HydrophobicContact CG-CG 4.26Å; L971-L1012 WeakPolarHBondContact O-CA 3.23Å; L971-L1012 PolarHBondContact O-N 3.48Å; E1010-L1012 PolarHBondContact O-N 2.84Å
1013	K	90.6	Very high	90.5	Very high	79 Å²	79	35.5 Å²	35.5	34%	0.343	20%	0.2	S	C	.	.			trans	-126.4	154.3	174.7	-66.3	-169	-176.9	168.8	0	112	I973 E1010 A1011 W1050	I973-K1013 PolarHBondContact N-O 2.84Å; E1010-K1013 HydrophobicContact CB-CB 4.36Å; E1010-K1013 HydrophobicContact CB-CD 4.1Å; E1010-K1013 HydrophobicContact CB-CG 4.42Å; E1010-K1013 PolarHBondContact O-N 3.45Å; E1010-K1013 WeakPolarHBondContact OE2-CE 3.49Å; E1010-K1013 IonicContact OE2-NZ 3.62Å; E1010-K1013 PolarHBondContact OE2-NZ 3.27Å; A1011-K1013 PolarHBondContact O-N 3.21Å; K1013-W1050 HydrophobicContact CB-CE3 3.75Å; K1013-W1050 HydrophobicContact CB-CH2 4.35Å; K1013-W1050 HydrophobicContact CB-CZ3 3.62Å; K1013-W1050 HydrophobicContact CD-CD2 4.12Å; K1013-W1050 HydrophobicContact CD-CE3 4.09Å; K1013-W1050 HydrophobicContact CD-CH2 4.32Å; K1013-W1050 HydrophobicContact CD-CZ2 4.31Å; K1013-W1050 HydrophobicContact CD-CZ3 4.19Å
1014	I	94.1	Very high	90.4	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	112.4	178.6	-60.2	163.4	0	0	0	109.1	A949 L950 L953 I973 I975 L1016 W1050 L1051	A949-I1014 HydrophobicContact CB-CD1 3.82Å; A949-I1014 HydrophobicContact CB-CG1 4.31Å; A949-I1014 HydrophobicContact CB-CG2 4.35Å; L950-I1014 HydrophobicContact CD2-CD1 3.76Å; L950-I1014 HydrophobicContact CG-CD1 4.12Å; L953-I1014 HydrophobicContact CD2-CD1 4.37Å; L953-I1014 HydrophobicContact CD2-CG1 4.49Å; I973-I1014 HydrophobicContact CB-CB 4.47Å; I973-I1014 HydrophobicContact CB-CG1 4.11Å; I973-I1014 HydrophobicContact CD1-CD1 4.48Å; I973-I1014 HydrophobicContact CD1-CG1 3.78Å; I973-I1014 HydrophobicContact CG2-CB 4.44Å; I973-I1014 HydrophobicContact CG2-CG1 4.23Å; I973-I1014 HydrophobicContact CG2-CG2 3.99Å; I975-I1014 HydrophobicContact CD1-CG2 3.48Å; I975-I1014 VanDerWaalsContact CD1-CG2 3.48Å; I975-I1014 HydrophobicContact CG1-CG2 4.19Å; I1014-L1016 HydrophobicContact CG2-CD2 4.04Å; I1014-W1050 WeakPolarHBondContact O-CA 3.47Å; I1014-L1051 HydrophobicContact CB-CB 4Å; I1014-L1051 HydrophobicContact CD1-CD2 4.14Å; I1014-L1051 HydrophobicContact CG2-CB 3.89Å; I1014-L1051 HydrophobicContact CG2-CD2 4.07Å; I1014-L1051 PolarHBondContact O-N 3.08Å
1015	H	94.5	Very high	90.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	126	-175.8	-168.9	-154.3	0	0	0	111.5	I973 G974 I975 M1005 R1035 T1048 W1050	I973-H1015 WeakPolarHBondContact O-CB 3.44Å; I973-H1015 PolarHBondContact O-N 3.37Å; G974-H1015 CarbonylContact C-O 3.52Å; G974-H1015 WeakPolarHBondContact CA-O 3.34Å; I975-H1015 PolarHBondContact N-O 2.93Å; M1005-H1015 PolarHBondContact O-ND1 3.4Å; H1015-R1035 PolarHBondContact CD2-NH1 3.45Å; H1015-R1035 PolarHBondContact CE1-NH1 2.85Å; H1015-R1035 PolarHBondContact ND1-NH1 2.86Å; H1015-R1035 PolarHBondContact NE2-NH1 3.34Å; H1015-T1048 WeakPolarHBondContact NE2-CB 3.25Å; H1015-T1048 WeakPolarHBondContact NE2-CG2 3.44Å; H1015-T1048 PolarHBondContact NE2-OG1 2.78Å; H1015-W1050 HydrophobicContact CB-CE3 4.17Å; H1015-W1050 HydrophobicContact CB-CH2 4.45Å; H1015-W1050 HydrophobicContact CB-CZ3 3.66Å
1016	L	93.5	Very high	89.9	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	143.3	-175.1	-57.3	-177.9	0	0	0	112.7	I975 I1014 T1020 L1024 L1032 Y1049 L1051	I975-L1016 HydrophobicContact CB-CD2 3.63Å; I975-L1016 HydrophobicContact CD1-CD2 3.78Å; I975-L1016 HydrophobicContact CG1-CD2 4.09Å; I975-L1016 HydrophobicContact CG2-CD2 4.26Å; I1014-L1016 HydrophobicContact CG2-CD2 4.04Å; L1016-T1020 HydrophobicContact CD2-CG2 4.14Å; L1016-L1024 HydrophobicContact CD1-CD1 3.91Å; L1016-L1032 HydrophobicContact CD1-CD2 3.3Å; L1016-Y1049 PolarHBondContact N-O 3.45Å; L1016-Y1049 PolarHBondContact O-N 2.97Å; L1016-L1051 HydrophobicContact CD1-CB 3.78Å; L1016-L1051 HydrophobicContact CD1-CD1 4.44Å; L1016-L1051 HydrophobicContact CD2-CB 4.47Å; L1016-L1051 HydrophobicContact CG-CB 4.11Å
1017	S	92.9	Very high	89.2	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	162.6	166.2	70.7	0	0	0	0	113.3	I975 H976 E1019 T1020 K1021	I975-S1017 PolarHBondContact O-N 3.28Å; H976-S1017 WeakPolarHBondContact ND1-CB 3.49Å; H976-S1017 PolarHBondContact ND1-OG 3.27Å; S1017-E1019 VanDerWaalsContact C-N 3.25Å; S1017-E1019 WeakPolarHBondContact CB-OE2 3.38Å; S1017-E1019 PolarHBondContact O-N 3.2Å; S1017-E1019 PolarHBondContact OG-OE2 3.28Å; S1017-T1020 PolarHBondContact O-N 3.46Å; S1017-T1020 PolarHBondContact OG-N 3.03Å; S1017-T1020 PolarHBondContact OG-OG1 3.4Å; S1017-K1021 PolarHBondContact O-N 2.96Å; S1017-K1021 VanDerWaalsContact O-N 3.12Å
1018	S	89.9	Confident	88.2	Confident	36 Å²	36	43.8 Å²	43.8	25%	0.252	24%	0.242	S	C	.	.	H	α-helix	trans	-62.4	-34.3	175.7	-69.5	0	0	0	0	112.1	K1021 A1022 R1047	S1018-K1021 WeakPolarHBondContact O-CB 3.26Å; S1018-K1021 PolarHBondContact O-N 3.2Å; S1018-A1022 PolarHBondContact O-N 2.95Å; S1018-R1047 PolarHBondContact OG-O 2.76Å
1019	E	91.1	Very high	87.6	Confident	96 Å²	96	42.5 Å²	42.5	45%	0.449	24%	0.242	S	C	.	.	H	α-helix	trans	-68.2	-43.4	179.3	-62.9	73.9	-163.6	0	0	111.3	H976 T977 S1017 K1021 A1022 V1023	H976-E1019 IonicContact CE1-OE2 3.49Å; H976-E1019 IonicContact ND1-OE2 3.62Å; T977-E1019 WeakPolarHBondContact O-CB 3.45Å; S1017-E1019 VanDerWaalsContact C-N 3.25Å; S1017-E1019 WeakPolarHBondContact CB-OE2 3.38Å; S1017-E1019 PolarHBondContact O-N 3.2Å; S1017-E1019 PolarHBondContact OG-OE2 3.28Å; E1019-K1021 VanDerWaalsContact C-N 3.34Å; E1019-A1022 PolarHBondContact O-N 2.91Å; E1019-V1023 PolarHBondContact O-N 2.87Å
1020	T	91.9	Very high	87.6	Confident	1 Å²	1	43 Å²	43	1%	0.006	24%	0.24	C	C	.	.	H	α-helix	trans	-64.3	-41.4	175.4	-54.1	0	0	0	0	111.4	I975 H976 T977 L1016 S1017 A1022 V1023 L1024	I975-T1020 HydrophobicContact CG2-CG2 3.93Å; H976-T1020 VanDerWaalsContact C-OG1 3.31Å; H976-T1020 VanDerWaalsContact CA-OG1 3.25Å; H976-T1020 WeakPolarHBondContact CA-OG1 3.45Å; T977-T1020 PolarHBondContact N-OG1 3.37Å; T977-T1020 WeakPolarHBondContact OG1-CA 3.49Å; T977-T1020 PolarHBondContact OG1-OG1 3.23Å; L1016-T1020 HydrophobicContact CD2-CG2 4.14Å; S1017-T1020 PolarHBondContact O-N 3.46Å; S1017-T1020 PolarHBondContact OG-N 3.03Å; S1017-T1020 PolarHBondContact OG-OG1 3.4Å; T1020-A1022 VanDerWaalsContact C-N 3.34Å; T1020-A1022 PolarHBondContact O-N 3.41Å; T1020-V1023 PolarHBondContact O-N 2.72Å; T1020-L1024 HydrophobicContact CG2-CD1 4.02Å; T1020-L1024 HydrophobicContact CG2-CG 4.38Å; T1020-L1024 WeakPolarHBondContact O-CG 3.18Å; T1020-L1024 PolarHBondContact O-N 2.8Å
1021	K	90.9	Very high	87.6	Confident	38 Å²	38	42.4 Å²	42.4	17%	0.165	24%	0.237	C	C	.	.	H	α-helix	trans	-58	-45.9	176.5	-172.1	-133.6	-175.7	-141.1	0	111.6	S1017 S1018 E1019 V1023 L1024 E1025 L1032 Y1049	S1017-K1021 PolarHBondContact O-N 2.96Å; S1017-K1021 VanDerWaalsContact O-N 3.12Å; S1018-K1021 WeakPolarHBondContact O-CB 3.26Å; S1018-K1021 PolarHBondContact O-N 3.2Å; E1019-K1021 VanDerWaalsContact C-N 3.34Å; K1021-V1023 VanDerWaalsContact C-N 3.3Å; K1021-V1023 PolarHBondContact O-N 3.35Å; K1021-L1024 PolarHBondContact O-N 3.47Å; K1021-E1025 VanDerWaalsContact CE-CD 3.45Å; K1021-E1025 WeakPolarHBondContact CE-OE1 3.3Å; K1021-E1025 WeakPolarHBondContact CE-OE2 3.08Å; K1021-E1025 HydrophobicContact CG-CG 4.44Å; K1021-E1025 IonicContact NZ-OE1 3.18Å; K1021-E1025 PolarHBondContact NZ-OE1 3.3Å; K1021-E1025 IonicContact NZ-OE2 3.93Å; K1021-E1025 PolarHBondContact NZ-OE2 2.88Å; K1021-E1025 WeakPolarHBondContact O-CG 3.27Å; K1021-E1025 PolarHBondContact O-N 3.43Å; K1021-L1032 HydrophobicContact CG-CD1 3.76Å; K1021-Y1049 HydrophobicContact CB-CD2 4.01Å; K1021-Y1049 HydrophobicContact CB-CE2 4.35Å; K1021-Y1049 HydrophobicContact CB-CG 4.42Å; K1021-Y1049 HydrophobicContact CD-CD1 4.02Å; K1021-Y1049 HydrophobicContact CD-CD2 3.96Å; K1021-Y1049 HydrophobicContact CD-CE1 3.75Å; K1021-Y1049 HydrophobicContact CD-CE2 3.72Å; K1021-Y1049 HydrophobicContact CD-CG 4.13Å; K1021-Y1049 HydrophobicContact CG-CD1 4.36Å; K1021-Y1049 HydrophobicContact CG-CD2 4.12Å; K1021-Y1049 HydrophobicContact CG-CE2 4.36Å; K1021-Y1049 HydrophobicContact CG-CG 4.15Å
1022	A	89.5	Confident	87.6	Confident	50 Å²	50	42.6 Å²	42.6	41%	0.413	23%	0.232	S	C	.	.	H	α-helix	trans	-58.6	-41.2	178.7	0	0	0	0	0	112.3	S1018 E1019 T1020	S1018-A1022 PolarHBondContact O-N 2.95Å; E1019-A1022 PolarHBondContact O-N 2.91Å; T1020-A1022 VanDerWaalsContact C-N 3.34Å; T1020-A1022 PolarHBondContact O-N 3.41Å
1023	V	88.8	Confident	87.7	Confident	19 Å²	19	45.1 Å²	45.1	12%	0.115	24%	0.243	C	C	.	.	H	α-helix	trans	-68.6	-41.9	176.7	-176.8	0	0	0	0	111.5	R939 A942 T977 E1019 T1020 K1021 E1025 E1026 F1027	R939-V1023 HydrophobicContact CB-CG1 4.27Å; A942-V1023 HydrophobicContact CB-CB 3.95Å; A942-V1023 HydrophobicContact CB-CG1 3.5Å; T977-V1023 HydrophobicContact CG2-CG2 4.18Å; E1019-V1023 PolarHBondContact O-N 2.87Å; T1020-V1023 PolarHBondContact O-N 2.72Å; K1021-V1023 VanDerWaalsContact C-N 3.3Å; K1021-V1023 PolarHBondContact O-N 3.35Å; V1023-E1025 PolarHBondContact O-N 2.81Å; V1023-E1026 PolarHBondContact O-N 3.46Å; V1023-F1027 HydrophobicContact CG1-CE2 4.1Å; V1023-F1027 VanDerWaalsContact O-CD2 3.27Å; V1023-F1027 WeakPolarHBondContact O-CD2 3.48Å
1024	L	88	Confident	87.7	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-67.3	-32.8	179.1	-68.6	174.1	0	0	0	113.2	A942 A946 L1016 T1020 K1021 E1026 F1027 G1028 F1030 L1032	A942-L1024 HydrophobicContact CB-CD2 4.01Å; A942-L1024 HydrophobicContact CB-CG 4.35Å; A946-L1024 HydrophobicContact CB-CD1 4.26Å; A946-L1024 HydrophobicContact CB-CD2 3.89Å; L1016-L1024 HydrophobicContact CD1-CD1 3.91Å; T1020-L1024 HydrophobicContact CG2-CD1 4.02Å; T1020-L1024 HydrophobicContact CG2-CG 4.38Å; T1020-L1024 WeakPolarHBondContact O-CG 3.18Å; T1020-L1024 PolarHBondContact O-N 2.8Å; K1021-L1024 PolarHBondContact O-N 3.47Å; L1024-E1026 VanDerWaalsContact C-N 3.26Å; L1024-E1026 PolarHBondContact O-N 2.76Å; L1024-F1027 PolarHBondContact O-N 3.5Å; L1024-G1028 PolarHBondContact O-N 2.94Å; L1024-F1030 HydrophobicContact CB-CD2 4.32Å; L1024-F1030 HydrophobicContact CD2-CD2 3.83Å; L1024-F1030 HydrophobicContact CD2-CE2 3.81Å; L1024-F1030 HydrophobicContact CD2-CG 4.42Å; L1024-F1030 HydrophobicContact CD2-CZ 4.38Å; L1024-L1032 HydrophobicContact CB-CD1 4.43Å; L1024-L1032 HydrophobicContact CD1-CD2 4.41Å
1025	E	86	Confident	87.3	Confident	109 Å²	109	49.5 Å²	49.5	51%	0.509	26%	0.264	S	S	.	.	H	α-helix	trans	-65.8	-27.4	177.4	-77.6	-175.9	139.8	0	0	112.9	K1021 V1023 L1032	K1021-E1025 VanDerWaalsContact CE-CD 3.45Å; K1021-E1025 WeakPolarHBondContact CE-OE1 3.3Å; K1021-E1025 WeakPolarHBondContact CE-OE2 3.08Å; K1021-E1025 HydrophobicContact CG-CG 4.44Å; K1021-E1025 IonicContact NZ-OE1 3.18Å; K1021-E1025 PolarHBondContact NZ-OE1 3.3Å; K1021-E1025 IonicContact NZ-OE2 3.93Å; K1021-E1025 PolarHBondContact NZ-OE2 2.88Å; K1021-E1025 WeakPolarHBondContact O-CG 3.27Å; K1021-E1025 PolarHBondContact O-N 3.43Å; V1023-E1025 PolarHBondContact O-N 2.81Å; E1025-L1032 HydrophobicContact CG-CD1 4.27Å
1026	E	82.9	Confident	86.9	Confident	110 Å²	110	50.6 Å²	50.6	51%	0.514	28%	0.275	S	S	.	.	H	α-helix	trans	-70.5	-30.5	178.2	-68.5	178.6	171.1	0	0	113.6	R939 V1023 L1024	R939-E1026 WeakPolarHBondContact CD-OE2 3.35Å; R939-E1026 IonicContact CZ-OE1 3.17Å; R939-E1026 IonicContact CZ-OE2 3.36Å; R939-E1026 IonicContact NE-OE2 3.33Å; R939-E1026 IonicContact NH1-OE1 3.43Å; R939-E1026 PolarHBondContact NH1-OE1 3.31Å; R939-E1026 IonicContact NH1-OE2 2.84Å; R939-E1026 PolarHBondContact NH1-OE2 2.95Å; V1023-E1026 PolarHBondContact O-N 3.46Å; L1024-E1026 VanDerWaalsContact C-N 3.26Å; L1024-E1026 PolarHBondContact O-N 2.76Å
1027	F	77.4	Confident	86.5	Confident	89 Å²	89	54.9 Å²	54.9	39%	0.39	30%	0.298	S	S	.	.	H	α-helix	trans	-83.8	-26.6	179.7	-70.8	-84.8	0	0	0	112.7	R939 L940 C943 V1023 L1024	R939-F1027 HydrophobicContact CB-CE2 3.74Å; R939-F1027 HydrophobicContact CB-CZ 3.59Å; R939-F1027 VanDerWaalsContact O-CE2 3.22Å; R939-F1027 WeakPolarHBondContact O-CE2 3.39Å; R939-F1027 WeakPolarHBondContact O-CZ 3.4Å; L940-F1027 HydrophobicContact CD2-CE1 3.73Å; L940-F1027 HydrophobicContact CD2-CZ 4.16Å; C943-F1027 WeakPolarHBondContact SG-CD2 3.48Å; C943-F1027 WeakPolarHBondContact SG-CG 3.08Å; V1023-F1027 HydrophobicContact CG1-CE2 4.1Å; V1023-F1027 VanDerWaalsContact O-CD2 3.27Å; V1023-F1027 WeakPolarHBondContact O-CD2 3.48Å; L1024-F1027 PolarHBondContact O-N 3.5Å
1028	G	67.2	Low	86.2	Confident	45 Å²	45	55.9 Å²	55.9	46%	0.464	30%	0.304	S	S	.	.			trans	69.5	152.2	-172.9	0	0	0	0	0	112.6	L1024	L1024-G1028 PolarHBondContact O-N 2.94Å
1029	G	76.7	Confident	86	Confident	30 Å²	30	61.4 Å²	61.4	31%	0.309	33%	0.326	S	S	.	.			trans	107.1	-9.3	173.4	0	0	0	0	0	116.3	E1054 R1055	G1029-E1054 CarbonylContact O-C 3.58Å; G1029-E1054 VanDerWaalsContact O-CA 3.22Å; G1029-E1054 WeakPolarHBondContact O-CA 3.29Å; G1029-E1054 WeakPolarHBondContact O-CG 3.47Å; G1029-R1055 PolarHBondContact O-N 3.47Å
1030	F	86.6	Confident	85.6	Confident	25 Å²	25	57 Å²	57	11%	0.11	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	140.9	174.7	-65	-80.6	0	0	0	112.8	C943 A946 R947 L1024 L1032 L1051 G1053 E1054	C943-F1030 HydrophobicContact CB-CE2 4.37Å; C943-F1030 HydrophobicContact CB-CZ 4.42Å; A946-F1030 HydrophobicContact CB-CD1 4.36Å; A946-F1030 HydrophobicContact CB-CE1 3.87Å; A946-F1030 HydrophobicContact CB-CZ 4.12Å; R947-F1030 HydrophobicContact CG-CE1 4.13Å; R947-F1030 HydrophobicContact CG-CZ 4.04Å; L1024-F1030 HydrophobicContact CB-CD2 4.32Å; L1024-F1030 HydrophobicContact CD2-CD2 3.83Å; L1024-F1030 HydrophobicContact CD2-CE2 3.81Å; L1024-F1030 HydrophobicContact CD2-CG 4.42Å; L1024-F1030 HydrophobicContact CD2-CZ 4.38Å; F1030-L1032 HydrophobicContact CB-CG 4.47Å; F1030-L1051 HydrophobicContact CB-CD1 3.94Å; F1030-L1051 HydrophobicContact CD1-CD1 3.96Å; F1030-L1051 HydrophobicContact CG-CD1 4.31Å; F1030-G1053 WeakPolarHBondContact CA-O 3.11Å; F1030-E1054 HydrophobicContact CD1-CB 4.13Å; F1030-E1054 HydrophobicContact CD1-CG 4.18Å; F1030-E1054 HydrophobicContact CE1-CB 4.15Å; F1030-E1054 HydrophobicContact CE1-CG 4.02Å; F1030-E1054 HydrophobicContact CZ-CG 4.46Å
1031	E	88.4	Confident	84.8	Confident	72 Å²	72	65.8 Å²	65.8	34%	0.336	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	115	175.7	-59.5	-161.1	147.1	0	0	110.5	L1052 G1053 R1055	E1031-L1052 HydrophobicContact CB-CB 4.17Å; E1031-L1052 PolarHBondContact O-N 3.44Å; E1031-G1053 PolarHBondContact N-O 2.95Å; E1031-R1055 HydrophobicContact CG-CG 3.69Å; E1031-R1055 WeakPolarHBondContact OE1-CG 3.48Å; E1031-R1055 IonicContact OE1-CZ 3.7Å; E1031-R1055 IonicContact OE1-NE 2.73Å; E1031-R1055 PolarHBondContact OE1-NE 3.09Å; E1031-R1055 IonicContact OE1-NH2 3.89Å
1032	L	89.7	Confident	84	Confident	46 Å²	46	67.7 Å²	67.7	24%	0.241	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.8	-171.4	-60.4	168.4	0	0	0	110.3	L1016 K1021 L1024 E1025 F1030 W1050 L1051	L1016-L1032 HydrophobicContact CD1-CD2 3.3Å; K1021-L1032 HydrophobicContact CG-CD1 3.76Å; L1024-L1032 HydrophobicContact CB-CD1 4.43Å; L1024-L1032 HydrophobicContact CD1-CD2 4.41Å; E1025-L1032 HydrophobicContact CG-CD1 4.27Å; F1030-L1032 HydrophobicContact CB-CG 4.47Å; L1032-W1050 CarbonylContact C-O 3.48Å; L1032-W1050 VanDerWaalsContact CA-O 3.32Å; L1032-W1050 WeakPolarHBondContact CA-O 3.23Å; L1032-L1051 HydrophobicContact CD2-CB 4.39Å; L1032-L1051 HydrophobicContact CD2-CD1 3.64Å
1033	E	91.1	Very high	83.3	Confident	100 Å²	100	70 Å²	70	47%	0.467	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	138.2	178.2	-175.4	-177.3	-176.9	0	0	110.8	R1035 Y1049 W1050 L1052	E1033-R1035 PolarHBondContact O-N 2.99Å; E1033-Y1049 CarbonylContact O-C 3.6Å; E1033-Y1049 WeakPolarHBondContact O-CA 3.35Å; E1033-Y1049 WeakPolarHBondContact O-CB 3.34Å; E1033-W1050 HydrophobicContact CB-CB 4.3Å; E1033-W1050 PolarHBondContact N-O 3.39Å; E1033-W1050 PolarHBondContact O-N 3.31Å; E1033-L1052 HydrophobicContact CB-CD1 4.01Å; E1033-L1052 HydrophobicContact CB-CG 4.4Å
1034	L	90.3	Very high	83	Confident	101 Å²	101	70.8 Å²	70.8	53%	0.529	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	119.5	176.1	178.2	68.4	0	0	0	110.1	R1047 Y1049	L1034-R1047 HydrophobicContact CD1-CG 3.75Å; L1034-Y1049 HydrophobicContact CB-CD1 4.32Å; L1034-Y1049 HydrophobicContact CB-CE1 4.24Å; L1034-Y1049 HydrophobicContact CD1-CD1 3.99Å; L1034-Y1049 HydrophobicContact CD1-CE1 3.45Å; L1034-Y1049 VanDerWaalsContact CD1-CE1 3.45Å; L1034-Y1049 HydrophobicContact CG-CE1 4.45Å
1035	R	85.6	Confident	82.8	Confident	71 Å²	71	78.3 Å²	78.3	27%	0.268	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-38.8	173.1	-178.6	-178.3	-178.4	173.4	2.6	112.1	N1008 H1015 E1033 V1038 T1048 W1050	N1008-R1035 PolarHBondContact O-NH1 3.47Å; N1008-R1035 PolarHBondContact O-NH2 3.44Å; H1015-R1035 PolarHBondContact CD2-NH1 3.45Å; H1015-R1035 PolarHBondContact CE1-NH1 2.85Å; H1015-R1035 PolarHBondContact ND1-NH1 2.86Å; H1015-R1035 PolarHBondContact NE2-NH1 3.34Å; E1033-R1035 PolarHBondContact O-N 2.99Å; R1035-V1038 HydrophobicContact CG-CG2 4.45Å; R1035-T1048 WeakPolarHBondContact CB-O 3.21Å; R1035-T1048 WeakPolarHBondContact CD-OG1 3.48Å; R1035-T1048 PolarHBondContact N-O 3.29Å; R1035-W1050 HydrophobicContact CG-CZ2 3.93Å
1036	G	86.1	Confident	82.8	Confident	22 Å²	22	74.5 Å²	74.5	23%	0.227	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	113.5	-167.2	-173.5	0	0	0	0	0	113	T1048	G1036-T1048 PolarHBondContact O-N 3.4Å; G1036-T1048 VanDerWaalsContact O-N 3.08Å; G1036-T1048 PolarHBondContact O-OG1 2.77Å
1037	D	86.3	Confident	83.1	Confident	90 Å²	90	75.4 Å²	75.4	48%	0.481	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	115.6	-177.7	-63.8	-19.2	0	0	0	110.2	K1045 V1046 R1047	D1037-K1045 HydrophobicContact CB-CB 4.3Å; D1037-V1046 WeakPolarHBondContact CA-O 3.34Å; D1037-R1047 WeakPolarHBondContact OD1-CB 3.43Å; D1037-R1047 IonicContact OD1-NE 3.66Å; D1037-R1047 PolarHBondContact OD1-NE 3.32Å; D1037-R1047 IonicContact OD1-NH2 2.77Å
1038	V	86.2	Confident	83.8	Confident	22 Å²	22	71.1 Å²	71.1	13%	0.133	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.1	179.8	179	0	0	0	0	109.2	N1008 R1035 M1040 V1046 T1048	N1008-V1038 HydrophobicContact CB-CG1 4.21Å; R1035-V1038 HydrophobicContact CG-CG2 4.45Å; V1038-M1040 HydrophobicContact CB-CE 4.33Å; V1038-M1040 HydrophobicContact CG1-CE 4.23Å; V1038-M1040 HydrophobicContact CG1-CG 4.44Å; V1038-M1040 PolarHBondContact O-N 2.99Å; V1038-V1046 PolarHBondContact N-O 3.3Å; V1038-V1046 PolarHBondContact O-N 3.4Å; V1038-T1048 WeakPolarHBondContact CG2-OG1 3.37Å
1039	E	84.9	Confident	85	Confident	152 Å²	152	70.6 Å²	70.6	71%	0.71	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	112.5	178	-170.6	164.4	-160.7	0	0	110.7
1040	M	82.8	Confident	85.8	Confident	4 Å²	4	69.8 Å²	69.8	2%	0.02	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	130.3	-178.8	-69.3	-177.9	-175.2	0	0	111.1	R1004 M1005 V1038 G1042 K1043 G1044 V1046 T1048	R1004-M1040 HydrophobicContact CB-SD 4.39Å; M1005-M1040 HydrophobicContact CE-CE 3.31Å; M1005-M1040 HydrophobicContact CE-SD 3.37Å; M1005-M1040 WeakPolarHBondContact CE-SD 3.11Å; M1005-M1040 HydrophobicContact SD-CE 3.48Å; M1005-M1040 WeakPolarHBondContact SD-CE 3.28Å; M1005-M1040 HydrophobicContact SD-SD 4.32Å; V1038-M1040 HydrophobicContact CB-CE 4.33Å; V1038-M1040 HydrophobicContact CG1-CE 4.23Å; V1038-M1040 HydrophobicContact CG1-CG 4.44Å; V1038-M1040 PolarHBondContact O-N 2.99Å; M1040-G1042 PolarHBondContact O-N 2.97Å; M1040-G1042 VanDerWaalsContact O-N 3.08Å; M1040-K1043 HydrophobicContact CB-CB 4.13Å; M1040-K1043 PolarHBondContact O-N 3.47Å; M1040-G1044 PolarHBondContact N-O 3.44Å; M1040-G1044 PolarHBondContact O-N 3.5Å; M1040-G1044 VanDerWaalsContact O-N 3.09Å; M1040-V1046 HydrophobicContact CB-CG2 4.36Å; M1040-V1046 HydrophobicContact CE-CB 4.5Å; M1040-V1046 HydrophobicContact CG-CG2 4.46Å; M1040-V1046 HydrophobicContact SD-CB 4.06Å; M1040-V1046 HydrophobicContact SD-CG1 4.46Å; M1040-V1046 HydrophobicContact SD-CG2 4.05Å; M1040-T1048 HydrophobicContact CE-CG2 3.8Å
1041	K	75.3	Confident	86.1	Confident	185 Å²	185	69 Å²	69	80%	0.804	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	116.1	-180	-169.3	179.5	-177.6	179.7	0	110.7	R1004 K1043	R1004-K1041 PolarHBondContact NE-O 3.46Å; R1004-K1041 PolarHBondContact NH1-O 3.33Å; R1004-K1041 PolarHBondContact NH2-O 2.73Å; K1041-K1043 VanDerWaalsContact C-N 3.35Å
1042	G	74.3	Confident	86	Confident	77 Å²	77	70.2 Å²	70.2	79%	0.794	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	2.5	178.8	0	0	0	0	0	116.1	M1040	M1040-G1042 PolarHBondContact O-N 2.97Å; M1040-G1042 VanDerWaalsContact O-N 3.08Å
1043	K	75.1	Confident	85.9	Confident	99 Å²	99	68.7 Å²	68.7	43%	0.43	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-14.3	175.5	-72.9	-77.9	-170.7	168	0	113.4	D997 M1040 K1041 V1046	D997-K1043 IonicContact OD1-NZ 3.33Å; D997-K1043 VanDerWaalsContact OD2-CE 3.25Å; D997-K1043 WeakPolarHBondContact OD2-CE 3.17Å; D997-K1043 IonicContact OD2-NZ 2.59Å; D997-K1043 PolarHBondContact OD2-NZ 3.41Å; M1040-K1043 HydrophobicContact CB-CB 4.13Å; M1040-K1043 PolarHBondContact O-N 3.47Å; K1041-K1043 VanDerWaalsContact C-N 3.35Å; K1043-V1046 HydrophobicContact CB-CG2 3.88Å
1044	G	82.8	Confident	85.6	Confident	36 Å²	36	66.7 Å²	66.7	37%	0.371	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	78.5	-150.4	-176.2	0	0	0	0	0	111.5	M1040 V1046	M1040-G1044 PolarHBondContact N-O 3.44Å; M1040-G1044 PolarHBondContact O-N 3.5Å; M1040-G1044 VanDerWaalsContact O-N 3.09Å; G1044-V1046 PolarHBondContact O-N 2.82Å
1045	K	83.5	Confident	84.6	Confident	159 Å²	159	70.9 Å²	70.9	69%	0.691	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	115	177.7	-71.7	-173.9	179.2	-176	0	110.3	D1037	D1037-K1045 HydrophobicContact CB-CB 4.3Å
1046	V	85.7	Confident	83.3	Confident	30 Å²	30	71 Å²	71	18%	0.182	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.2	179.3	-177.1	0	0	0	0	109.3	M1005 D1037 V1038 M1040 K1043 G1044 T1048	M1005-V1046 HydrophobicContact CE-CG1 4.35Å; D1037-V1046 WeakPolarHBondContact CA-O 3.34Å; V1038-V1046 PolarHBondContact N-O 3.3Å; V1038-V1046 PolarHBondContact O-N 3.4Å; M1040-V1046 HydrophobicContact CB-CG2 4.36Å; M1040-V1046 HydrophobicContact CE-CB 4.5Å; M1040-V1046 HydrophobicContact CG-CG2 4.46Å; M1040-V1046 HydrophobicContact SD-CB 4.06Å; M1040-V1046 HydrophobicContact SD-CG1 4.46Å; M1040-V1046 HydrophobicContact SD-CG2 4.05Å; K1043-V1046 HydrophobicContact CB-CG2 3.88Å; G1044-V1046 PolarHBondContact O-N 2.82Å; V1046-T1048 HydrophobicContact CG1-CG2 4.29Å
1047	R	89.3	Confident	81.3	Confident	128 Å²	128	74.7 Å²	74.7	48%	0.483	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	131.7	175.2	-170.6	169	-66.3	171.9	0.9	110.7	S1018 L1034 D1037 Y1049	S1018-R1047 PolarHBondContact OG-O 2.76Å; L1034-R1047 HydrophobicContact CD1-CG 3.75Å; D1037-R1047 WeakPolarHBondContact OD1-CB 3.43Å; D1037-R1047 IonicContact OD1-NE 3.66Å; D1037-R1047 PolarHBondContact OD1-NE 3.32Å; D1037-R1047 IonicContact OD1-NH2 2.77Å; R1047-Y1049 HydrophobicContact CG-CE2 4.32Å
1048	T	91.3	Very high	78.9	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	163.9	-170.9	55.5	0	0	0	0	112.7	M1005 H1015 R1035 G1036 V1038 M1040 V1046	M1005-T1048 HydrophobicContact CE-CG2 4.4Å; M1005-T1048 HydrophobicContact SD-CG2 3.94Å; H1015-T1048 WeakPolarHBondContact NE2-CB 3.25Å; H1015-T1048 WeakPolarHBondContact NE2-CG2 3.44Å; H1015-T1048 PolarHBondContact NE2-OG1 2.78Å; R1035-T1048 WeakPolarHBondContact CB-O 3.21Å; R1035-T1048 WeakPolarHBondContact CD-OG1 3.48Å; R1035-T1048 PolarHBondContact N-O 3.29Å; G1036-T1048 PolarHBondContact O-N 3.4Å; G1036-T1048 VanDerWaalsContact O-N 3.08Å; G1036-T1048 PolarHBondContact O-OG1 2.77Å; V1038-T1048 WeakPolarHBondContact CG2-OG1 3.37Å; M1040-T1048 HydrophobicContact CE-CG2 3.8Å; V1046-T1048 HydrophobicContact CG1-CG2 4.29Å
1049	Y	92.9	Very high	76.6	Confident	33 Å²	33	80.2 Å²	80.2	13%	0.129	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	155.6	-171.8	-57.6	-92.3	0	0	0	111.6	L1016 K1021 E1033 L1034 R1047	L1016-Y1049 PolarHBondContact N-O 3.45Å; L1016-Y1049 PolarHBondContact O-N 2.97Å; K1021-Y1049 HydrophobicContact CB-CD2 4.01Å; K1021-Y1049 HydrophobicContact CB-CE2 4.35Å; K1021-Y1049 HydrophobicContact CB-CG 4.42Å; K1021-Y1049 HydrophobicContact CD-CD1 4.02Å; K1021-Y1049 HydrophobicContact CD-CD2 3.96Å; K1021-Y1049 HydrophobicContact CD-CE1 3.75Å; K1021-Y1049 HydrophobicContact CD-CE2 3.72Å; K1021-Y1049 HydrophobicContact CD-CG 4.13Å; K1021-Y1049 HydrophobicContact CG-CD1 4.36Å; K1021-Y1049 HydrophobicContact CG-CD2 4.12Å; K1021-Y1049 HydrophobicContact CG-CE2 4.36Å; K1021-Y1049 HydrophobicContact CG-CG 4.15Å; E1033-Y1049 CarbonylContact O-C 3.6Å; E1033-Y1049 WeakPolarHBondContact O-CA 3.35Å; E1033-Y1049 WeakPolarHBondContact O-CB 3.34Å; L1034-Y1049 HydrophobicContact CB-CD1 4.32Å; L1034-Y1049 HydrophobicContact CB-CE1 4.24Å; L1034-Y1049 HydrophobicContact CD1-CD1 3.99Å; L1034-Y1049 HydrophobicContact CD1-CE1 3.45Å; L1034-Y1049 VanDerWaalsContact CD1-CE1 3.45Å; L1034-Y1049 HydrophobicContact CG-CE1 4.45Å; R1047-Y1049 HydrophobicContact CG-CE2 4.32Å
1050	W	93.6	Very high	74	Confident	13 Å²	13	85 Å²	85	5%	0.049	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	137.7	169.4	-60.8	118.9	0	0	0	110.2	E1010 K1013 I1014 H1015 L1032 E1033 R1035 L1052	E1010-W1050 HydrophobicContact CB-CH2 3.83Å; E1010-W1050 HydrophobicContact CB-CZ2 4.38Å; E1010-W1050 HydrophobicContact CG-CH2 3.86Å; E1010-W1050 HydrophobicContact CG-CZ2 4.06Å; K1013-W1050 HydrophobicContact CB-CE3 3.75Å; K1013-W1050 HydrophobicContact CB-CH2 4.35Å; K1013-W1050 HydrophobicContact CB-CZ3 3.62Å; K1013-W1050 HydrophobicContact CD-CD2 4.12Å; K1013-W1050 HydrophobicContact CD-CE3 4.09Å; K1013-W1050 HydrophobicContact CD-CH2 4.32Å; K1013-W1050 HydrophobicContact CD-CZ2 4.31Å; K1013-W1050 HydrophobicContact CD-CZ3 4.19Å; I1014-W1050 WeakPolarHBondContact O-CA 3.47Å; H1015-W1050 HydrophobicContact CB-CE3 4.17Å; H1015-W1050 HydrophobicContact CB-CH2 4.45Å; H1015-W1050 HydrophobicContact CB-CZ3 3.66Å; L1032-W1050 CarbonylContact C-O 3.48Å; L1032-W1050 VanDerWaalsContact CA-O 3.32Å; L1032-W1050 WeakPolarHBondContact CA-O 3.23Å; E1033-W1050 HydrophobicContact CB-CB 4.3Å; E1033-W1050 PolarHBondContact N-O 3.39Å; E1033-W1050 PolarHBondContact O-N 3.31Å; R1035-W1050 HydrophobicContact CG-CZ2 3.93Å; W1050-L1052 HydrophobicContact CB-CD2 4.43Å
1051	L	92.1	Very high	71.6	Confident	8 Å²	8	91.8 Å²	91.8	4%	0.042	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	121	166.6	-178.1	66.5	0	0	0	109.3	A946 L950 I1014 L1016 F1030 L1032	A946-L1051 HydrophobicContact CB-CD2 3.9Å; L950-L1051 HydrophobicContact CD1-CD2 4.28Å; L950-L1051 HydrophobicContact CD2-CD2 4.37Å; L950-L1051 HydrophobicContact CD2-CG 4.39Å; L950-L1051 HydrophobicContact CG-CD2 4.1Å; I1014-L1051 HydrophobicContact CB-CB 4Å; I1014-L1051 HydrophobicContact CD1-CD2 4.14Å; I1014-L1051 HydrophobicContact CG2-CB 3.89Å; I1014-L1051 HydrophobicContact CG2-CD2 4.07Å; I1014-L1051 PolarHBondContact O-N 3.08Å; L1016-L1051 HydrophobicContact CD1-CB 3.78Å; L1016-L1051 HydrophobicContact CD1-CD1 4.44Å; L1016-L1051 HydrophobicContact CD2-CB 4.47Å; L1016-L1051 HydrophobicContact CG-CB 4.11Å; F1030-L1051 HydrophobicContact CB-CD1 3.94Å; F1030-L1051 HydrophobicContact CD1-CD1 3.96Å; F1030-L1051 HydrophobicContact CG-CD1 4.31Å; L1032-L1051 HydrophobicContact CD2-CB 4.39Å; L1032-L1051 HydrophobicContact CD2-CD1 3.64Å
1052	L	88.1	Confident	71.4	Confident	98 Å²	98	87.2 Å²	87.2	51%	0.513	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-32.8	-177.1	-61.1	-179.7	0	0	0	113.2	E1031 E1033 W1050	E1031-L1052 HydrophobicContact CB-CB 4.17Å; E1031-L1052 PolarHBondContact O-N 3.44Å; E1033-L1052 HydrophobicContact CB-CD1 4.01Å; E1033-L1052 HydrophobicContact CB-CG 4.4Å; W1050-L1052 HydrophobicContact CB-CD2 4.43Å
1053	G	86.4	Confident	71.3	Confident	14 Å²	14	87.7 Å²	87.7	14%	0.144	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.3	-172.6	-177.6	0	0	0	0	0	113.8	F1030 E1031	F1030-G1053 WeakPolarHBondContact CA-O 3.11Å; E1031-G1053 PolarHBondContact N-O 2.95Å
1054	E	84.4	Confident	71	Confident	59 Å²	59	87.1 Å²	87.1	28%	0.276	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	120.8	176	-169.1	177.2	-172	0	0	110.2	R947 L950 G1029 F1030 G1056	R947-E1054 WeakPolarHBondContact CG-OE2 3.44Å; R947-E1054 IonicContact CZ-OE1 3.76Å; R947-E1054 IonicContact NE-OE1 3.33Å; R947-E1054 PolarHBondContact NE-OE1 3.04Å; R947-E1054 IonicContact NE-OE2 3.93Å; R947-E1054 PolarHBondContact NE-OE2 2.97Å; R947-E1054 IonicContact NH2-OE1 3.83Å; R947-E1054 PolarHBondContact NH2-OE1 3.27Å; L950-E1054 HydrophobicContact CD1-CB 4.45Å; G1029-E1054 CarbonylContact O-C 3.58Å; G1029-E1054 VanDerWaalsContact O-CA 3.22Å; G1029-E1054 WeakPolarHBondContact O-CA 3.29Å; G1029-E1054 WeakPolarHBondContact O-CG 3.47Å; F1030-E1054 HydrophobicContact CD1-CB 4.13Å; F1030-E1054 HydrophobicContact CD1-CG 4.18Å; F1030-E1054 HydrophobicContact CE1-CB 4.15Å; F1030-E1054 HydrophobicContact CE1-CG 4.02Å; F1030-E1054 HydrophobicContact CZ-CG 4.46Å; E1054-G1056 PolarHBondContact O-N 3.32Å; E1054-G1056 VanDerWaalsContact O-N 3.12Å
1055	R	70.5	Confident	70.4	Confident	188 Å²	188	90.1 Å²	90.1	71%	0.709	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	103.2	173.9	-75.2	-176	178.3	175.6	2.5	110	G1029 E1031	G1029-R1055 PolarHBondContact O-N 3.47Å; E1031-R1055 HydrophobicContact CG-CG 3.69Å; E1031-R1055 WeakPolarHBondContact OE1-CG 3.48Å; E1031-R1055 IonicContact OE1-CZ 3.7Å; E1031-R1055 IonicContact OE1-NE 2.73Å; E1031-R1055 PolarHBondContact OE1-NE 3.09Å; E1031-R1055 IonicContact OE1-NH2 3.89Å
1056	G	58	Low	69.5	Low	75 Å²	75	85.8 Å²	85.8	77%	0.773	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	135.2	-8.3	174.8	0	0	0	0	0	115.1	E1054 S1058	E1054-G1056 PolarHBondContact O-N 3.32Å; E1054-G1056 VanDerWaalsContact O-N 3.12Å; G1056-S1058 VanDerWaalsContact C-N 3.29Å; G1056-S1058 PolarHBondContact O-N 3.05Å
1057	S	43.8	Very low	68.5	Low	99 Å²	99	89.5 Å²	89.5	69%	0.692	52%	0.518	S	S	*	.			trans	-80.5	74.4	174.4	-174.3	0	0	0	0	111.5	T1059	S1057-T1059 PolarHBondContact O-N 3.41Å
1058	S	36.1	Very low	67	Low	103 Å²	103	86.7 Å²	86.7	72%	0.72	52%	0.52	S	S	*	.			trans	-72.9	106.4	154.5	155.2	0	0	0	0	107.1	G1056 R1060	G1056-S1058 VanDerWaalsContact C-N 3.29Å; G1056-S1058 PolarHBondContact O-N 3.05Å; S1058-R1060 PolarHBondContact O-N 3.39Å; S1058-R1060 VanDerWaalsContact O-N 3.17Å
1059	T	37.3	Very low	65.1	Low	125 Å²	125	93.4 Å²	93.4	77%	0.767	56%	0.56	S	S	*	*			trans	-17.5	108	163.5	49.1	0	0	0	0	114.2	S1057	S1057-T1059 PolarHBondContact O-N 3.41Å
1060	R	31.4	Very low	62.8	Low	252 Å²	252	98.4 Å²	98.4	95%	0.951	60%	0.596	S	S	*	*			trans	-87.9	100.6	147.8	-80.8	-174.3	176.8	-178.8	-0.4	105.7	S1058	S1058-R1060 PolarHBondContact O-N 3.39Å; S1058-R1060 VanDerWaalsContact O-N 3.17Å
1061	G	31.6	Very low	60	Low	147 Å²	147	106.2 Å²	106.2	100%	1.515	65%	0.646	S	S	*	*			trans	-71	0	167.9	0	0	0	0	0	112.1

Retrieved 1,061 of 1,061 residues in 432.2 ms (Link to these results)

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