A0A3Q0KUF5_SCHMA Loading...

Tubulin tyrosine ligase-related

AlphaFold DB , UniProt , Accession A0A3Q0KUF5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,432 aa.

						>A0A3Q0KUF5_SCHMA|A0A3Q0KUF5
MYSGSKFIKKSITKQQFTQELTARLEQLSSKREIHETDEYSETSLSPSSSISSFQSSVSSPRNSFMIRTNRFSLKDGKFTKEPSNDLQKSNRIYASSKNTKPCQQTYIKPKSLQQSKEKKRYDKPCLANEINSSISTQDNYNYSKNKYIQTNQMNKTIDRRGFSPKIMLKSCESRTQYPKEKEEFTLVNENILQKPDQYNVSVGQDKNADQISDQSDNDDELGCLEDDTVIIGDNESAVDMSDSDASCTRRLSNIPEEILPPVIASLLPNTPSVLRFVDGKQTVPKFPKPYRYQLLWRPSAITPNVVKRILKRSNFRITLKSNEWIGYYGNHLKPFGFRPIREYQKINHFPGSFQLGRKDKLWINLNQLRSRFGKKSIDFVPRTFCLPGDLKSLKEFWTHHENTSKKSSNDEALFHFRPRWIMKPPASARGIGVKLIRGWSDIPKQRRVIVQSYINQPYLIDGKKFDIRLYVFVAGFSPLRAYVYREGLVRFASQKYSTSVQQLRNRFVHLTNYSVNKYNKTEETFASNHKWKLSTLWSYLTERGADVLNLWSRIVDIIFKTLSSVVSCIATMVDQNCRRRASVYELFGFDIILDADLKPWLLEVNVSPSLHTNTQLDDEVKTAVVKDMFNICGFQLPPDYHSSLSVTTTQSRSLNNVHYQPNKDKNLSATGRITPESTLLLKKGDQSSMSRRNNNDINYSGKLSNQHSCNRSSISVCNSSAPLKPLMSKGISSINGLPPPSPSINITHTKRSLSAVSVKTTFCKTNNSLLNNSNSNNNNSNRIFFDPCIPITDPRLWDISLSAEDKRKHLFYTSLMTDKEKDKSTQFFNRLSKHNMKNSTNTSTTEENFSKDPLDILRHILLELSPDDLRTLVNLIDERYRAALGNFQCIFPVHGSKGYQMLTFLQGAYQENTFGGTLGSRSPSFYYYDILQYVFLTVYHNSEGNDNLSCDSFVHCYYDKILPDQIAPISNELNTESLSIAGEMTGVSIAGLKSVINLCKKAIHLKSLDSPLKSTQFFKTQSDANSKTSNCSSNKIDHREYHKINDSTLLGYHNDISVESQCIDLNNIKTIVRTDECSNQTQTITQYIDENNGESMKQQYKPDDESDSNDKSSPSSSLASKIFQSSVRRESTQPNIQSNNKNFLESTLSVINDSTDLNKCSCSKTCITNAVMNTKYVNTLNNTLKEPSLPSEIPSDTKQTNISSVKIQTSNWDENAIKSFGEITCTSNNYQTLSREPHATRNIKPVRYSASSSLSSSSITAVVPTNTSKFYGYHILERMNSERVCKSPDEMNNISTNLYKDNSHINQRIKMLATYCTNDQFYNKISNKGTINNVNNKRQMQKLISGYQNNKYADNIPNNHRRYHRIKSTSTIYPIRSYSQDRILSLNNLNHGKGSFEDVSMSSGYSSFVRDKLNSSFRHLALEMKKAQISS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31	Very low	32.4	Very low	228 Å²	228	162.3 Å²	162.3	100%	1.123	84%	0.841	S	S	*	*				0	125.2	0	-66.2	177.3	174.7	0	0	108.3
2	Y	27.4	Very low	34.2	Very low	221 Å²	221	158.6 Å²	158.6	87%	0.867	82%	0.822	S	S	*	*			cis	-144.4	145.7	-14.9	-117.4	-79.6	0	0	0	108.1
3	S	26.1	Very low	36.9	Very low	114 Å²	114	150.1 Å²	150.1	80%	0.797	78%	0.781	S	S	*	*			trans	-92.6	117.9	-174.4	51.8	0	0	0	0	112.7
4	G	28.3	Very low	38.2	Very low	78 Å²	78	151 Å²	151	80%	0.804	78%	0.776	S	S	*	*			trans	63.1	127.1	146	0	0	0	0	0	120.3
5	S	34	Very low	40.1	Very low	121 Å²	121	150.2 Å²	150.2	85%	0.846	77%	0.767	S	S	*	*			trans	-149.6	166.9	141	72.3	0	0	0	0	110.7
6	K	30.5	Very low	42.1	Very low	195 Å²	195	146.8 Å²	146.8	85%	0.848	75%	0.747	S	S	*	*			trans	-86.2	144	-169.5	-55.6	160.7	-176.7	168.7	0	110.8
7	F	35	Very low	43.5	Very low	209 Å²	209	145.8 Å²	145.8	92%	0.917	74%	0.737	S	S	*	*			trans	-141.4	154.2	148.8	-107.3	-77	0	0	0	112.8
8	I	33.7	Very low	45.1	Very low	153 Å²	153	142 Å²	142	79%	0.785	72%	0.722	S	S	*	*			trans	-96.5	132.5	-158.4	-63.8	161.5	0	0	0	111.1	K10	I8-K10 PolarHBondContact O-N 3.14Å
9	K	35.5	Very low	46.8	Very low	178 Å²	178	141.4 Å²	141.4	77%	0.774	72%	0.716	S	S	*	*			trans	-77.6	110.2	172.9	-74.8	-174	174.9	-178.1	0	111.2
10	K	38.1	Very low	48.1	Very low	197 Å²	197	138.8 Å²	138.8	86%	0.857	70%	0.701	S	S	*	*			trans	-81	133.2	149.7	-74.5	-176.3	174.7	-179.5	0	108.3	I8 I12	I8-K10 PolarHBondContact O-N 3.14Å; K10-I12 PolarHBondContact O-N 3.38Å
11	S	36.6	Very low	49.3	Very low	91 Å²	91	136 Å²	136	64%	0.636	69%	0.688	S	S	*	*			trans	-82.2	111.2	175.7	39.3	0	0	0	0	110.7
12	I	54.3	Low	51.6	Low	118 Å²	118	128.1 Å²	128.1	61%	0.605	65%	0.653	S	S	*	*			trans	-76.7	132.9	168.2	-62.8	177	0	0	0	108	K10 Q16	K10-I12 PolarHBondContact O-N 3.38Å; I12-Q16 HydrophobicContact CG2-CB 3.65Å
13	T	69.7	Low	54	Low	48 Å²	48	119.7 Å²	119.7	29%	0.294	63%	0.629	S	S	.	*			trans	-77.2	155.8	-178.1	63.6	0	0	0	0	111.9	Q15 Q16 F17	T13-Q15 PolarHBondContact O-N 3.21Å; T13-Q15 VanDerWaalsContact O-N 3.15Å; T13-Q16 PolarHBondContact O-N 2.99Å; T13-Q16 VanDerWaalsContact O-N 3.1Å; T13-Q16 WeakPolarHBondContact OG1-CG 3.34Å; T13-Q16 PolarHBondContact OG1-OE1 3.37Å; T13-F17 PolarHBondContact O-N 2.95Å
14	K	54.9	Low	56.1	Low	163 Å²	163	121.1 Å²	121.1	71%	0.709	62%	0.617	S	S	*	*	H	α-helix	trans	-57.9	-31.9	-178.5	-165.3	176.8	-177.8	-178.2	0	113.2	T18	K14-T18 PolarHBondContact O-N 2.98Å; K14-T18 PolarHBondContact O-OG1 2.89Å; K14-T18 VanDerWaalsContact O-OG1 3.06Å
15	Q	65.9	Low	58.2	Low	139 Å²	139	122.4 Å²	122.4	65%	0.65	61%	0.605	S	S	*	*	H	α-helix	trans	-68.2	-44.9	175.3	-80.2	176.7	-60.1	0	0	112.7	T13 F17 T18 Q19	T13-Q15 PolarHBondContact O-N 3.21Å; T13-Q15 VanDerWaalsContact O-N 3.15Å; Q15-F17 VanDerWaalsContact C-N 3.34Å; Q15-F17 PolarHBondContact O-N 3.34Å; Q15-T18 PolarHBondContact O-N 3.17Å; Q15-Q19 WeakPolarHBondContact O-CG 3.26Å; Q15-Q19 PolarHBondContact O-N 2.79Å
16	Q	72.2	Confident	60.2	Low	95 Å²	95	122.3 Å²	122.3	44%	0.444	59%	0.591	S	S	.	*	H	α-helix	trans	-61.4	-42.2	179.2	-72.6	166.3	-54	0	0	111.5	I12 T13 T18 Q19 E20	I12-Q16 HydrophobicContact CG2-CB 3.65Å; T13-Q16 PolarHBondContact O-N 2.99Å; T13-Q16 VanDerWaalsContact O-N 3.1Å; T13-Q16 WeakPolarHBondContact OG1-CG 3.34Å; T13-Q16 PolarHBondContact OG1-OE1 3.37Å; Q16-T18 PolarHBondContact O-N 3.29Å; Q16-Q19 PolarHBondContact O-N 2.79Å; Q16-E20 PolarHBondContact O-N 3.39Å
17	F	67.2	Low	61.9	Low	130 Å²	130	119.1 Å²	119.1	57%	0.57	58%	0.579	S	S	*	*	H	α-helix	trans	-62	-42.9	175.3	-175.6	-99.7	0	0	0	112.2	T13 Q15 L21	T13-F17 PolarHBondContact O-N 2.95Å; Q15-F17 VanDerWaalsContact C-N 3.34Å; Q15-F17 PolarHBondContact O-N 3.34Å; F17-L21 HydrophobicContact CE1-CD1 3.7Å; F17-L21 HydrophobicContact CZ-CD1 3.74Å; F17-L21 VanDerWaalsContact O-CB 3.27Å; F17-L21 WeakPolarHBondContact O-CB 3.19Å; F17-L21 PolarHBondContact O-N 2.75Å
18	T	71.4	Confident	63	Low	78 Å²	78	114.8 Å²	114.8	48%	0.479	57%	0.565	S	S	.	*	H	α-helix	trans	-62.7	-42.8	174.6	-56.8	0	0	0	0	111.8	K14 Q15 Q16 L21 T22	K14-T18 PolarHBondContact O-N 2.98Å; K14-T18 PolarHBondContact O-OG1 2.89Å; K14-T18 VanDerWaalsContact O-OG1 3.06Å; Q15-T18 PolarHBondContact O-N 3.17Å; Q16-T18 PolarHBondContact O-N 3.29Å; T18-L21 PolarHBondContact O-N 3.27Å; T18-T22 PolarHBondContact O-N 3.28Å; T18-T22 PolarHBondContact O-OG1 2.8Å; T18-T22 VanDerWaalsContact O-OG1 3.07Å
19	Q	76.8	Confident	63.9	Low	130 Å²	130	111.6 Å²	111.6	61%	0.607	56%	0.556	S	S	*	*	H	α-helix	trans	-63.1	-46.8	178.3	-74.7	172.7	-36.8	0	0	112.3	Q15 Q16 L21 T22 A23	Q15-Q19 WeakPolarHBondContact O-CG 3.26Å; Q15-Q19 PolarHBondContact O-N 2.79Å; Q16-Q19 PolarHBondContact O-N 2.79Å; Q19-L21 VanDerWaalsContact C-N 3.32Å; Q19-L21 PolarHBondContact O-N 3.3Å; Q19-T22 PolarHBondContact O-N 3Å; Q19-A23 WeakPolarHBondContact O-CB 3.44Å; Q19-A23 PolarHBondContact O-N 2.76Å
20	E	74.1	Confident	64.5	Low	89 Å²	89	107.5 Å²	107.5	42%	0.416	55%	0.55	S	S	.	.	H	α-helix	trans	-66.9	-33.8	178.9	-166.1	-179.2	150.6	0	0	112	Q16 R24	Q16-E20 PolarHBondContact O-N 3.39Å; E20-R24 WeakPolarHBondContact O-CB 3.47Å; E20-R24 WeakPolarHBondContact O-CG 2.85Å; E20-R24 PolarHBondContact O-N 2.98Å; E20-R24 IonicContact OE1-CZ 3.25Å; E20-R24 IonicContact OE1-NH1 2.8Å; E20-R24 PolarHBondContact OE1-NH1 3.3Å; E20-R24 IonicContact OE1-NH2 3.93Å; E20-R24 PolarHBondContact OE1-NH2 3.37Å
21	L	72.6	Confident	64.9	Low	82 Å²	82	106.2 Å²	106.2	43%	0.429	54%	0.544	S	S	.	.	H	α-helix	trans	-73.7	-39	177.6	-159.7	149.2	0	0	0	111.9	F17 T18 Q19 R24 L25	F17-L21 HydrophobicContact CE1-CD1 3.7Å; F17-L21 HydrophobicContact CZ-CD1 3.74Å; F17-L21 VanDerWaalsContact O-CB 3.27Å; F17-L21 WeakPolarHBondContact O-CB 3.19Å; F17-L21 PolarHBondContact O-N 2.75Å; T18-L21 PolarHBondContact O-N 3.27Å; Q19-L21 VanDerWaalsContact C-N 3.32Å; Q19-L21 PolarHBondContact O-N 3.3Å; L21-R24 PolarHBondContact O-N 3.31Å; L21-L25 HydrophobicContact CD2-CD1 3.76Å; L21-L25 HydrophobicContact CD2-CG 4.34Å; L21-L25 WeakPolarHBondContact O-CG 3.34Å; L21-L25 PolarHBondContact O-N 2.91Å
22	T	79.2	Confident	64.9	Low	62 Å²	62	112.6 Å²	112.6	38%	0.38	55%	0.554	S	S	.	*	H	α-helix	trans	-62	-49	169.8	-60.3	0	0	0	0	111.1	T18 Q19 R24 L25 E26	T18-T22 PolarHBondContact O-N 3.28Å; T18-T22 PolarHBondContact O-OG1 2.8Å; T18-T22 VanDerWaalsContact O-OG1 3.07Å; Q19-T22 PolarHBondContact O-N 3Å; T22-R24 VanDerWaalsContact C-N 3.3Å; T22-R24 PolarHBondContact O-N 2.82Å; T22-L25 PolarHBondContact O-N 2.8Å; T22-E26 HydrophobicContact CG2-CG 4.39Å; T22-E26 WeakPolarHBondContact O-CG 3.36Å; T22-E26 PolarHBondContact O-N 3.41Å
23	A	78.2	Confident	64.1	Low	43 Å²	43	115.2 Å²	115.2	36%	0.355	56%	0.564	S	S	.	*	H	α-helix	trans	-60.7	-36.9	179.4	0	0	0	0	0	112.6	Q19 Q27	Q19-A23 WeakPolarHBondContact O-CB 3.44Å; Q19-A23 PolarHBondContact O-N 2.76Å; A23-Q27 WeakPolarHBondContact O-CB 3.3Å; A23-Q27 WeakPolarHBondContact O-CG 3.43Å; A23-Q27 PolarHBondContact O-N 3.36Å
24	R	70.4	Confident	62.5	Low	144 Å²	144	119.7 Å²	119.7	54%	0.543	59%	0.585	S	S	.	*	H	α-helix	trans	-67.6	-36.9	171.7	-80.9	-165.2	178.1	102.1	13	113.1	E20 L21 T22 Q27 L28	E20-R24 WeakPolarHBondContact O-CB 3.47Å; E20-R24 WeakPolarHBondContact O-CG 2.85Å; E20-R24 PolarHBondContact O-N 2.98Å; E20-R24 IonicContact OE1-CZ 3.25Å; E20-R24 IonicContact OE1-NH1 2.8Å; E20-R24 PolarHBondContact OE1-NH1 3.3Å; E20-R24 IonicContact OE1-NH2 3.93Å; E20-R24 PolarHBondContact OE1-NH2 3.37Å; L21-R24 PolarHBondContact O-N 3.31Å; T22-R24 VanDerWaalsContact C-N 3.3Å; T22-R24 PolarHBondContact O-N 2.82Å; R24-Q27 PolarHBondContact O-N 3.19Å; R24-L28 WeakPolarHBondContact O-CB 3.33Å; R24-L28 WeakPolarHBondContact O-CD1 3.4Å; R24-L28 VanDerWaalsContact O-CG 3.23Å; R24-L28 WeakPolarHBondContact O-CG 3.47Å; R24-L28 PolarHBondContact O-N 3Å; R24-L28 VanDerWaalsContact O-N 3.09Å
25	L	73	Confident	61.6	Low	106 Å²	106	120.1 Å²	120.1	56%	0.555	59%	0.589	S	S	*	*	H	α-helix	trans	-68.1	-38.6	175.2	-73.3	172.1	0	0	0	111.7	L21 T22 L28 S29	L21-L25 HydrophobicContact CD2-CD1 3.76Å; L21-L25 HydrophobicContact CD2-CG 4.34Å; L21-L25 WeakPolarHBondContact O-CG 3.34Å; L21-L25 PolarHBondContact O-N 2.91Å; T22-L25 PolarHBondContact O-N 2.8Å; L25-L28 PolarHBondContact O-N 3.39Å; L25-L28 VanDerWaalsContact O-N 3.15Å; L25-S29 PolarHBondContact O-N 3.19Å; L25-S29 PolarHBondContact O-OG 2.69Å
26	E	74.2	Confident	59.9	Low	118 Å²	118	121.6 Å²	121.6	55%	0.551	60%	0.596	S	S	*	*	H	α-helix	trans	-66.9	-39	174.1	-70.3	172.7	165.9	0	0	112.2	T22 L28 S29 S30	T22-E26 HydrophobicContact CG2-CG 4.39Å; T22-E26 WeakPolarHBondContact O-CG 3.36Å; T22-E26 PolarHBondContact O-N 3.41Å; E26-L28 PolarHBondContact O-N 3.36Å; E26-S29 PolarHBondContact O-N 2.89Å; E26-S29 PolarHBondContact O-OG 3.15Å; E26-S29 VanDerWaalsContact O-OG 3.1Å; E26-S30 WeakPolarHBondContact O-CB 3.26Å; E26-S30 PolarHBondContact O-N 2.78Å; E26-S30 PolarHBondContact O-OG 3.18Å
27	Q	66.5	Low	58.2	Low	128 Å²	128	122.7 Å²	122.7	60%	0.598	61%	0.609	S	S	*	*	H	α-helix	trans	-67.2	-18.5	170.6	-77	-172.8	-4.2	0	0	114.1	A23 R24 K31	A23-Q27 WeakPolarHBondContact O-CB 3.3Å; A23-Q27 WeakPolarHBondContact O-CG 3.43Å; A23-Q27 PolarHBondContact O-N 3.36Å; R24-Q27 PolarHBondContact O-N 3.19Å; Q27-K31 WeakPolarHBondContact O-CG 3.46Å
28	L	59	Low	56.5	Low	119 Å²	119	123.6 Å²	123.6	62%	0.623	62%	0.62	S	S	*	*	H	α-helix	trans	-94.8	-27.4	176.6	-73.9	169	0	0	0	112.9	R24 L25 E26	R24-L28 WeakPolarHBondContact O-CB 3.33Å; R24-L28 WeakPolarHBondContact O-CD1 3.4Å; R24-L28 VanDerWaalsContact O-CG 3.23Å; R24-L28 WeakPolarHBondContact O-CG 3.47Å; R24-L28 PolarHBondContact O-N 3Å; R24-L28 VanDerWaalsContact O-N 3.09Å; L25-L28 PolarHBondContact O-N 3.39Å; L25-L28 VanDerWaalsContact O-N 3.15Å; E26-L28 PolarHBondContact O-N 3.36Å
29	S	52.7	Low	54.7	Low	85 Å²	85	127.9 Å²	127.9	59%	0.594	63%	0.634	S	S	*	*	H	α-helix	trans	-75.3	-41	170.5	61.6	0	0	0	0	111.8	L25 E26 K31 R32	L25-S29 PolarHBondContact O-N 3.19Å; L25-S29 PolarHBondContact O-OG 2.69Å; E26-S29 PolarHBondContact O-N 2.89Å; E26-S29 PolarHBondContact O-OG 3.15Å; E26-S29 VanDerWaalsContact O-OG 3.1Å; S29-K31 PolarHBondContact O-N 3.41Å; S29-K31 VanDerWaalsContact O-N 3.16Å; S29-R32 PolarHBondContact O-N 2.77Å
30	S	47.6	Very low	52.6	Low	93 Å²	93	131 Å²	131	65%	0.65	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	2.3	177.8	56.4	0	0	0	0	115.2	E26	E26-S30 WeakPolarHBondContact O-CB 3.26Å; E26-S30 PolarHBondContact O-N 2.78Å; E26-S30 PolarHBondContact O-OG 3.18Å
31	K	45.6	Very low	50.6	Low	170 Å²	170	132 Å²	132	74%	0.739	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.7	28.5	174.8	-75.1	-171.6	173.6	-173	0	113.6	Q27 S29	Q27-K31 WeakPolarHBondContact O-CG 3.46Å; S29-K31 PolarHBondContact O-N 3.41Å; S29-K31 VanDerWaalsContact O-N 3.16Å
32	R	38.4	Very low	48.6	Very low	224 Å²	224	136 Å²	136	85%	0.845	68%	0.676	S	S	*	*	S	Bend	trans	-134.1	44.1	177.3	-79	-166.7	169.1	-176.4	-0.8	114	S29	S29-R32 PolarHBondContact O-N 2.77Å
33	E	37	Very low	46.4	Very low	174 Å²	174	138.8 Å²	138.8	81%	0.813	69%	0.693	S	S	*	*			trans	-140.7	143.4	165.7	-108	165.4	-157.7	0	0	110.8
34	I	35.9	Very low	44.1	Very low	142 Å²	142	141.5 Å²	141.5	73%	0.728	71%	0.709	S	S	*	*			trans	76.8	103.1	152.3	-66.3	167.4	0	0	0	118.9
35	H	35.7	Very low	42.3	Very low	172 Å²	172	142.5 Å²	142.5	80%	0.796	72%	0.724	S	S	*	*			trans	88.2	156.2	138.6	-82.4	-105.8	0	0	0	123.7
36	E	31	Very low	40.3	Very low	169 Å²	169	142.5 Å²	142.5	79%	0.79	73%	0.733	S	S	*	*			trans	-104.9	-168.7	-168.4	-61.2	163.2	115	0	0	111.5
37	T	35.6	Very low	38.7	Very low	119 Å²	119	142.1 Å²	142.1	73%	0.73	74%	0.741	S	S	*	*			trans	73.8	109.8	172.4	57.4	0	0	0	0	118
38	D	32	Very low	37.2	Very low	149 Å²	149	141.4 Å²	141.4	80%	0.797	75%	0.75	S	S	*	*				52	133.1	102.4	-54.2	-15.1	0	0	0	117.8
39	E	32.9	Very low	36.1	Very low	167 Å²	167	140.1 Å²	140.1	78%	0.78	75%	0.751	S	S	*	*			cis	-157.1	166.8	21.2	-117.8	-176.1	153.9	0	0	114.4
40	Y	32.4	Very low	35.1	Very low	197 Å²	197	141 Å²	141	77%	0.773	76%	0.757	S	S	*	*			trans	20.2	154.5	156.6	-77.5	-76.3	0	0	0	128
41	S	33	Very low	34.5	Very low	110 Å²	110	144.3 Å²	144.3	77%	0.769	77%	0.765	S	S	*	*			trans	84.8	152.2	145.8	75.1	0	0	0	0	120.7
42	E	31	Very low	33.9	Very low	166 Å²	166	140.5 Å²	140.5	78%	0.776	76%	0.76	S	S	*	*			cis	-163.6	171.2	-42.7	-152.6	171.4	-129.9	0	0	109.8
43	T	32.8	Very low	33.5	Very low	120 Å²	120	133.7 Å²	133.7	74%	0.736	75%	0.747	S	S	*	*			trans	67.6	156.8	163.8	66.6	0	0	0	0	119.4
44	S	29.9	Very low	33.2	Very low	99 Å²	99	134.1 Å²	134.1	69%	0.692	75%	0.747	S	S	*	*			cis	-166.4	-178	-32	61.4	0	0	0	0	111
45	L	32.9	Very low	32.8	Very low	166 Å²	166	134.1 Å²	134.1	87%	0.869	74%	0.743	S	S	*	*			trans	88.5	94.8	163.1	-63.3	163.7	0	0	0	120.6
46	S	29.6	Very low	32.5	Very low	106 Å²	106	130.3 Å²	130.3	74%	0.741	74%	0.736	S	S	*	*			trans	-79.4	-157.8	147.7	60.2	0	0	0	0	110.2
47	P	40.7	Very low	32.4	Very low	110 Å²	110	126.3 Å²	126.3	71%	0.714	73%	0.727	S	S	*	*			cis	-130.1	178.9	-5.6	35.2	-12.2	0	0	0	113.8
48	S	35.1	Very low	32.1	Very low	112 Å²	112	126.5 Å²	126.5	78%	0.783	73%	0.728	S	S	*	*				156.5	168.7	78.9	65	0	0	0	0	108
49	S	35.9	Very low	32.1	Very low	93 Å²	93	125.2 Å²	125.2	65%	0.65	73%	0.731	S	S	*	*			cis	-155.1	162.9	4.8	58.4	0	0	0	0	111.3
50	S	32.4	Very low	31.8	Very low	103 Å²	103	122.6 Å²	122.6	72%	0.72	73%	0.731	S	S	*	*			trans	62.4	144.9	151.5	65.5	0	0	0	0	119.9
51	I	34.2	Very low	32	Very low	162 Å²	162	117.9 Å²	117.9	83%	0.831	72%	0.724	S	S	*	*			cis	-166.6	152.8	-2.2	-112.1	167	0	0	0	105.9
52	S	32.8	Very low	31.8	Very low	90 Å²	90	123.4 Å²	123.4	63%	0.629	73%	0.728	S	S	*	*			cis	-165	141	-15.6	62.8	0	0	0	0	109.6
53	S	31	Very low	31.9	Very low	81 Å²	81	122.8 Å²	122.8	57%	0.566	73%	0.73	S	S	*	*				65.3	137.5	108.6	79.4	0	0	0	0	118.7
54	F	30.9	Very low	31.8	Very low	184 Å²	184	121.4 Å²	121.4	81%	0.807	73%	0.726	S	S	*	*			cis	-149.4	163.1	-5.6	-71.3	-59.5	0	0	0	107.9
55	Q	28.1	Very low	31.8	Very low	141 Å²	141	125.8 Å²	125.8	66%	0.659	73%	0.732	S	S	*	*			cis	97.1	141.9	7.8	-158.8	176.4	8.4	0	0	117.1
56	S	29.2	Very low	31.6	Very low	92 Å²	92	124.9 Å²	124.9	64%	0.643	73%	0.726	S	S	*	*			trans	77.1	155.7	166.2	81.6	0	0	0	0	119.3
57	S	28.3	Very low	31.6	Very low	86 Å²	86	126.1 Å²	126.1	60%	0.601	72%	0.723	S	S	*	*			cis	-172.3	145.3	-29	54.5	0	0	0	0	114.3
58	V	29.1	Very low	31	Very low	122 Å²	122	132.1 Å²	132.1	74%	0.739	73%	0.731	S	S	*	*			trans	56.9	125.7	140.2	175.5	0	0	0	0	122
59	S	31.5	Very low	30.6	Very low	123 Å²	123	132.5 Å²	132.5	86%	0.86	73%	0.729	S	S	*	*				-170.6	164	128.8	30.9	0	0	0	0	114.4
60	S	27.7	Very low	30.2	Very low	112 Å²	112	135.6 Å²	135.6	78%	0.783	74%	0.738	S	S	*	*			trans	-117.7	-164.6	-169.7	-135.3	0	0	0	0	110
61	P	37	Very low	29.9	Very low	98 Å²	98	141.1 Å²	141.1	64%	0.636	74%	0.743	S	S	*	*			cis	-142.9	-177.5	-21.6	36.2	-15.4	0	0	0	116.9
62	R	28.2	Very low	29.6	Very low	225 Å²	225	142.8 Å²	142.8	85%	0.849	74%	0.744	S	S	*	*			trans	85.5	159.5	133.7	-97.4	172.5	-173.4	171.9	1.9	124.9
63	N	31.9	Very low	29.4	Very low	153 Å²	153	143.1 Å²	143.1	82%	0.818	75%	0.747	S	S	*	*			trans	80.7	141.2	165.5	-62.7	-10.5	0	0	0	117.4
64	S	30.8	Very low	29.2	Very low	92 Å²	92	146.7 Å²	146.7	64%	0.643	76%	0.759	S	S	*	*			cis	-157.8	148.1	-1.3	99.9	0	0	0	0	113.9
65	F	29.7	Very low	29.1	Very low	190 Å²	190	147.6 Å²	147.6	83%	0.833	76%	0.762	S	S	*	*			trans	53.5	162.1	150.9	-70	-66.9	0	0	0	120.9
66	M	29.7	Very low	29.1	Very low	148 Å²	148	148.2 Å²	148.2	73%	0.729	77%	0.77	S	S	*	*			cis	-150.8	145.3	2.2	-137.7	-166.5	-168.1	0	0	111.3
67	I	29.7	Very low	29.2	Very low	132 Å²	132	147.4 Å²	147.4	68%	0.677	78%	0.777	S	S	*	*			trans	44.2	131.5	138.2	-71.1	176.3	0	0	0	119.2
68	R	28.2	Very low	29.2	Very low	235 Å²	235	151.8 Å²	151.8	89%	0.887	79%	0.785	S	S	*	*			cis	-150.7	141.7	48.9	-153.7	161.4	-155	156.7	4	113.1
69	T	26	Very low	29.2	Very low	121 Å²	121	155.9 Å²	155.9	74%	0.742	79%	0.793	S	S	*	*			trans	-94.2	163.2	174.3	44.8	0	0	0	0	111.8
70	N	27.4	Very low	28.9	Very low	157 Å²	157	155.5 Å²	155.5	84%	0.84	79%	0.786	S	S	*	*			trans	-144.3	121.3	137.4	-122.7	-7.9	0	0	0	109.7
71	R	26.1	Very low	28.9	Very low	220 Å²	220	159.3 Å²	159.3	83%	0.83	79%	0.788	S	S	*	*			trans	-111.1	132	168.8	-68.3	-179.1	-178.1	173.1	-0.4	107.5
72	F	28.3	Very low	28.4	Very low	196 Å²	196	163.4 Å²	163.4	86%	0.86	80%	0.799	S	S	*	*			trans	-117.8	99.9	142.7	-82.6	-91.3	0	0	0	104.8
73	S	28.1	Very low	28.6	Very low	97 Å²	97	158.4 Å²	158.4	68%	0.678	80%	0.796	S	S	*	*				76	118.4	73.2	-171.2	0	0	0	0	110.8
74	L	26.7	Very low	28.3	Very low	156 Å²	156	155.8 Å²	155.8	82%	0.817	79%	0.789	S	S	*	*			trans	-59.2	151.2	163.1	-68.6	74.1	0	0	0	109.1
75	K	30.1	Very low	28.2	Very low	203 Å²	203	158.3 Å²	158.3	88%	0.883	80%	0.795	S	S	*	*			trans	-157.3	138.2	140.9	-118.8	176	-178.2	-178.6	0	109.8	G77	K75-G77 PolarHBondContact O-N 3.26Å
76	D	27.9	Very low	28.2	Very low	154 Å²	154	155 Å²	155	82%	0.824	79%	0.786	S	S	*	*			trans	-66.6	122	-175.1	-55.8	-95.2	0	0	0	111.9
77	G	31	Very low	28.2	Very low	76 Å²	76	156.3 Å²	156.3	78%	0.784	80%	0.795	S	S	*	*			trans	-114	78.9	174.2	0	0	0	0	0	110.5	K75 F79	K75-G77 PolarHBondContact O-N 3.26Å; G77-F79 PolarHBondContact O-N 3.47Å; G77-F79 VanDerWaalsContact O-N 3.14Å
78	K	29.3	Very low	28.2	Very low	178 Å²	178	157 Å²	157	77%	0.774	80%	0.796	S	S	*	*			trans	-60.6	115.5	177.8	-71.3	-179.9	178.4	178.1	0	110.7
79	F	27.7	Very low	28.4	Very low	208 Å²	208	154.9 Å²	154.9	91%	0.912	79%	0.793	S	S	*	*			trans	-124.2	63.7	149.6	-106.6	-79.8	0	0	0	110.7	G77 K81	G77-F79 PolarHBondContact O-N 3.47Å; G77-F79 VanDerWaalsContact O-N 3.14Å; F79-K81 PolarHBondContact O-N 3.02Å
80	T	25.3	Very low	28.6	Very low	115 Å²	115	154.1 Å²	154.1	71%	0.706	79%	0.793	S	S	*	*			trans	-63.3	117.8	156.6	47.1	0	0	0	0	109.2
81	K	28.7	Very low	28.6	Very low	191 Å²	191	153.5 Å²	153.5	83%	0.83	79%	0.789	S	S	*	*			trans	-171.5	114.1	139.4	-108.4	173.3	-178	-175.8	0	111.6	F79	F79-K81 PolarHBondContact O-N 3.02Å
82	E	26.5	Very low	28.9	Very low	185 Å²	185	154.1 Å²	154.1	86%	0.864	79%	0.792	S	S	*	*			trans	-57.4	151.1	136.1	-58.3	173.2	135.1	0	0	108.1
83	P	32.1	Very low	28.9	Very low	120 Å²	120	150.6 Å²	150.6	78%	0.779	78%	0.781	S	S	*	*				-133.5	147.3	120.5	36.3	-29	0	0	0	113
84	S	26	Very low	29	Very low	98 Å²	98	155.3 Å²	155.3	69%	0.685	79%	0.785	S	S	*	*			trans	-72.5	165.9	164.1	45.7	0	0	0	0	112.3
85	N	27.9	Very low	28.9	Very low	144 Å²	144	152.6 Å²	152.6	77%	0.77	79%	0.785	S	S	*	*			trans	81.4	151.6	158.3	-61.7	-7.3	0	0	0	120.7
86	D	29.5	Very low	28.8	Very low	120 Å²	120	147.1 Å²	147.1	64%	0.642	77%	0.772	S	S	*	*			trans	62.2	85	160.7	-63.2	-47.2	0	0	0	120
87	L	29.1	Very low	28.7	Very low	176 Å²	176	144.8 Å²	144.8	92%	0.921	77%	0.768	S	S	*	*				-136.8	107	116.7	-124.8	166.6	0	0	0	112.7
88	Q	30.5	Very low	28.6	Very low	147 Å²	147	149.8 Å²	149.8	69%	0.687	77%	0.768	S	S	*	*			trans	-68.6	127.7	177.7	-56.8	165.7	3.3	0	0	111.7
89	K	31.5	Very low	28.5	Very low	190 Å²	190	147.6 Å²	147.6	83%	0.826	77%	0.765	S	S	*	*				174.5	141.3	126.4	-95	155	-175.1	173.4	0	113.2
90	S	31.5	Very low	28.5	Very low	106 Å²	106	143.5 Å²	143.5	74%	0.741	76%	0.757	S	S	*	*			trans	46	93	166.8	50.6	0	0	0	0	116.4
91	N	27.8	Very low	28.7	Very low	143 Å²	143	146.8 Å²	146.8	77%	0.765	76%	0.762	S	S	*	*				54.5	95.9	55.5	-64.1	-23.7	0	0	0	116
92	R	30.8	Very low	28.7	Very low	233 Å²	233	143 Å²	143	88%	0.879	76%	0.757	S	S	*	*				-167	121.5	105	-95.1	168.1	179	-171.1	-0.3	109
93	I	29	Very low	28.7	Very low	122 Å²	122	139.9 Å²	139.9	63%	0.626	75%	0.754	S	S	*	*				75.7	124.2	65.8	-68.8	168.7	0	0	0	110.5
94	Y	29.5	Very low	28.3	Very low	196 Å²	196	142.7 Å²	142.7	77%	0.769	76%	0.757	S	S	*	*			cis	-155.2	168.6	6	-127.8	-159.2	0	0	0	111.7
95	A	24.6	Very low	28.5	Very low	100 Å²	100	146.9 Å²	146.9	83%	0.826	77%	0.766	S	S	*	*			trans	-109.5	112.1	158.3	0	0	0	0	0	110.1
96	S	28	Very low	28.3	Very low	87 Å²	87	145.5 Å²	145.5	61%	0.608	76%	0.762	S	S	*	*			trans	-164	120	168.3	54.3	0	0	0	0	108
97	S	25.6	Very low	28.2	Very low	105 Å²	105	149.1 Å²	149.1	73%	0.734	77%	0.768	S	S	*	*				54.8	84.6	71.4	-169.1	0	0	0	0	112.9
98	K	29.2	Very low	28.2	Very low	181 Å²	181	146.4 Å²	146.4	79%	0.787	75%	0.754	S	S	*	*				176.2	134	121.3	-94.6	158.8	-174.5	176.3	0	113.5
99	N	26.9	Very low	28.1	Very low	133 Å²	133	148.2 Å²	148.2	71%	0.711	76%	0.759	S	S	*	*			trans	60.9	139.9	136.8	-65.3	-2.4	0	0	0	122.5
100	T	29.4	Very low	28.3	Very low	121 Å²	121	143.8 Å²	143.8	74%	0.742	75%	0.75	S	S	*	*			trans	66.5	144.3	148.2	56.6	0	0	0	0	118.2
101	K	27.6	Very low	28.2	Very low	184 Å²	184	147.9 Å²	147.9	80%	0.8	75%	0.754	S	S	*	*			cis	-154	169.6	-13.2	-118.4	170.3	179.4	-177.8	0	107.5
102	P	29.7	Very low	28.2	Very low	113 Å²	113	145 Å²	145	73%	0.734	75%	0.745	S	S	*	*			trans	-82.3	-168.7	-179.8	38.1	-35.5	0	0	0	111.4
103	C	26.3	Very low	28.2	Very low	119 Å²	119	140.9 Å²	140.9	80%	0.804	74%	0.74	S	S	*	*			trans	115.2	117	165.3	-67.5	0	0	0	0	115.7
104	Q	24.5	Very low	28.3	Very low	179 Å²	179	142.1 Å²	142.1	84%	0.836	74%	0.743	S	S	*	*			trans	-30.9	147.4	145.3	-54.3	152.2	-23.2	0	0	112.9
105	Q	29	Very low	28.4	Very low	186 Å²	186	139.3 Å²	139.3	87%	0.869	74%	0.737	S	S	*	*				-156.9	155.5	113.5	-110.3	166.9	9.7	0	0	112.1
106	T	24.9	Very low	28.7	Very low	114 Å²	114	138.2 Å²	138.2	70%	0.699	72%	0.724	S	S	*	*			trans	-95.5	-156.4	179.2	47.2	0	0	0	0	110.1
107	Y	27.8	Very low	28.9	Very low	196 Å²	196	142.5 Å²	142.5	77%	0.769	73%	0.731	S	S	*	*			trans	91.2	147.3	171	-65	-97.4	0	0	0	117.9
108	I	27.8	Very low	29.1	Very low	119 Å²	119	143.7 Å²	143.7	61%	0.61	73%	0.725	S	S	*	*			cis	-174	134.5	-47.5	-113	165	0	0	0	109.3
109	K	28.5	Very low	29.2	Very low	185 Å²	185	142.7 Å²	142.7	80%	0.804	72%	0.721	S	S	*	*			trans	63.2	173.7	155.8	-77.4	-179.4	-172.8	173.1	0	117.9
110	P	35.2	Very low	29.2	Very low	97 Å²	97	145.5 Å²	145.5	63%	0.63	73%	0.727	S	S	*	*			cis	-143.3	-170.9	-45.3	41.7	-26.3	0	0	0	114.3
111	K	30.9	Very low	29.2	Very low	192 Å²	192	150.9 Å²	150.9	84%	0.835	73%	0.733	S	S	*	*			trans	70.8	155.7	151.4	-76.2	176.3	-176.4	-178.2	0	116.8
112	S	27.4	Very low	29.4	Very low	82 Å²	82	151.9 Å²	151.9	57%	0.573	73%	0.733	S	S	*	*			cis	-175.4	171.5	-23.5	51.9	0	0	0	0	110.1
113	L	30.3	Very low	29.4	Very low	148 Å²	148	151.6 Å²	151.6	78%	0.775	73%	0.726	S	S	*	*			trans	75.1	155.1	169	-47.4	145.1	0	0	0	113.1
114	Q	32.5	Very low	29.5	Very low	147 Å²	147	154.7 Å²	154.7	69%	0.687	73%	0.726	S	S	*	*			cis	-166.2	168.8	-13.8	-116.4	-164.5	48.1	0	0	108.6
115	Q	31.7	Very low	30.1	Very low	137 Å²	137	151.7 Å²	151.7	64%	0.64	72%	0.721	S	S	*	*			cis	-155.8	122.4	-7.8	-155.4	-153.6	108.6	0	0	112.6
116	S	29	Very low	30	Very low	78 Å²	78	148.9 Å²	148.9	55%	0.545	72%	0.721	S	S	.	*			trans	72.6	162.5	142.8	81	0	0	0	0	124.7
117	K	32.7	Very low	30	Very low	176 Å²	176	151 Å²	151	77%	0.765	73%	0.728	S	S	*	*			trans	75.7	147.8	155.1	-67.8	164	-169.3	172.3	0	119.6
118	E	29.2	Very low	30.1	Very low	131 Å²	131	145.6 Å²	145.6	61%	0.612	72%	0.723	S	S	*	*			cis	-168.9	165.3	-38.6	-133.8	-155.3	141.9	0	0	111.3
119	K	31.5	Very low	30.2	Very low	160 Å²	160	146.1 Å²	146.1	70%	0.696	73%	0.727	S	S	*	*			trans	65.3	125.8	166.1	-66.9	143.8	179.1	145.3	0	116.1
120	K	27.7	Very low	30.2	Very low	191 Å²	191	145.1 Å²	145.1	83%	0.83	73%	0.725	S	S	*	*			cis	86.3	133.8	42.1	-73.3	-176.8	174.5	176	0	114.1
121	R	30.1	Very low	30.1	Very low	234 Å²	234	148.5 Å²	148.5	88%	0.883	74%	0.736	S	S	*	*			trans	89.8	150	171.3	-63.6	-178.9	170.1	177.8	-2	117.2
122	Y	30.9	Very low	30	Very low	205 Å²	205	146.3 Å²	146.3	80%	0.804	73%	0.734	S	S	*	*			cis	-174.3	143.3	-38.9	-128.3	-85	0	0	0	106.3
123	D	29.4	Very low	30.1	Very low	107 Å²	107	148.4 Å²	148.4	57%	0.572	75%	0.748	S	S	*	*			trans	42.6	127.9	155.5	-86.5	29.6	0	0	0	124.6
124	K	29.6	Very low	30	Very low	185 Å²	185	146.5 Å²	146.5	80%	0.804	75%	0.747	S	S	*	*			trans	92.9	156.1	131.7	-75.6	171.8	178.2	129.5	0	121.4
125	P	35.5	Very low	29.8	Very low	115 Å²	115	147.9 Å²	147.9	75%	0.747	76%	0.758	S	S	*	*			trans	-121.6	171.6	-158.3	43.3	-31.2	0	0	0	115.3
126	C	27.4	Very low	29.5	Very low	127 Å²	127	146.7 Å²	146.7	86%	0.858	76%	0.764	S	S	*	*			trans	-159.5	-175.6	144.7	-118.6	0	0	0	0	113.8
127	L	26.2	Very low	29.6	Very low	160 Å²	160	149.7 Å²	149.7	84%	0.838	78%	0.779	S	S	*	*			trans	-92.6	156.3	-167.6	-76.7	75.2	0	0	0	114.7
128	A	28.7	Very low	29.3	Very low	81 Å²	81	150.3 Å²	150.3	67%	0.669	79%	0.785	S	S	*	*			trans	36.4	132	138.9	0	0	0	0	0	122
129	N	30.8	Very low	29.3	Very low	131 Å²	131	151.6 Å²	151.6	70%	0.701	80%	0.796	S	S	*	*				-165.2	130.6	105	-93.9	2.9	0	0	0	109.1
130	E	27.9	Very low	29	Very low	163 Å²	163	150.8 Å²	150.8	76%	0.762	80%	0.799	S	S	*	*				61.9	122.9	98	-61.4	-170.2	149.2	0	0	115.8
131	I	32.4	Very low	29	Very low	169 Å²	169	152.6 Å²	152.6	87%	0.867	80%	0.803	S	S	*	*			trans	-157	147.5	135	-103.2	154.8	0	0	0	109.2
132	N	28.7	Very low	28.7	Very low	146 Å²	146	148.3 Å²	148.3	78%	0.781	80%	0.797	S	S	*	*			trans	-82.4	153.8	-161.7	-55	-72.1	0	0	0	115
133	S	30.5	Very low	28.4	Very low	126 Å²	126	148.4 Å²	148.4	88%	0.881	80%	0.797	S	S	*	*				-146.8	144.5	127.5	58.2	0	0	0	0	109.3
134	S	27.9	Very low	28.2	Very low	107 Å²	107	146.8 Å²	146.8	75%	0.748	80%	0.795	S	S	*	*			trans	-134.9	152.2	-165.3	52.3	0	0	0	0	112.3
135	I	28.4	Very low	28.1	Very low	177 Å²	177	142.7 Å²	142.7	91%	0.908	78%	0.777	S	S	*	*			trans	-162.8	145.8	150.8	-103.1	150.9	0	0	0	107.7
136	S	24.6	Very low	27.7	Very low	111 Å²	111	141.4 Å²	141.4	78%	0.776	76%	0.764	S	S	*	*			trans	-150.1	130	-171.4	57.9	0	0	0	0	112.2
137	T	30.8	Very low	27.7	Very low	141 Å²	141	142.8 Å²	142.8	87%	0.865	76%	0.755	S	S	*	*			trans	-145.1	135.4	161.9	42.8	0	0	0	0	109.3
138	Q	26.9	Very low	27.8	Very low	190 Å²	190	144.2 Å²	144.2	89%	0.888	75%	0.751	S	S	*	*			trans	-85.2	150.2	167.2	-60.4	168.8	-89.5	0	0	108.9
139	D	29.2	Very low	27.9	Very low	158 Å²	158	145.1 Å²	145.1	85%	0.845	74%	0.743	S	S	*	*			trans	-157.2	154.9	138.5	-123	-32.6	0	0	0	112.3
140	N	25.1	Very low	27.9	Very low	142 Å²	142	146.6 Å²	146.6	76%	0.759	75%	0.746	S	S	*	*			trans	-91.6	143.3	167.9	-67.9	-82.4	0	0	0	108.7
141	Y	28	Very low	28	Very low	230 Å²	230	144.5 Å²	144.5	90%	0.902	75%	0.745	S	S	*	*			trans	-172.4	174	133.9	-100.9	-60.4	0	0	0	111.5
142	N	23.5	Very low	28	Very low	143 Å²	143	142.3 Å²	142.3	77%	0.765	74%	0.735	S	S	*	*			trans	-88.1	175.7	-174.6	-76	-76.2	0	0	0	113
143	Y	25.9	Very low	28.1	Very low	207 Å²	207	142.3 Å²	142.3	81%	0.812	73%	0.73	S	S	*	*			trans	83.8	112.3	154.7	-105.5	-113.5	0	0	0	119.5
144	S	25.1	Very low	28.2	Very low	74 Å²	74	144.1 Å²	144.1	52%	0.517	73%	0.727	S	S	.	*				80.3	138.7	120.7	-85	0	0	0	0	123.3
145	K	26	Very low	28.3	Very low	99 Å²	99	145.6 Å²	145.6	43%	0.43	73%	0.726	S	S	.	*				83.2	113.3	127.9	-74.7	9.3	-165.1	-54.5	0	122.1	G1393 K1394 G1395	K145-G1393 WeakPolarHBondContact CE-O 3.39Å; K145-G1393 PolarHBondContact NZ-O 3.29Å; K145-K1394 CarbonylContact C-O 3.56Å; K145-K1394 WeakPolarHBondContact CA-O 3.42Å; K145-K1394 WeakPolarHBondContact CB-O 3.41Å; K145-K1394 VanDerWaalsContact CD-C 3.44Å; K145-K1394 WeakPolarHBondContact CG-O 3.19Å; K145-G1395 WeakPolarHBondContact CD-O 3.18Å; K145-G1395 WeakPolarHBondContact CE-O 3.42Å
146	N	28.5	Very low	28.5	Very low	88 Å²	88	146.5 Å²	146.5	47%	0.471	72%	0.723	S	S	.	*			trans	-5.1	137.1	159.8	-69.2	-0.9	0	0	0	120.9	K1394 G1395 S1396	N146-K1394 VanDerWaalsContact CB-O 3.28Å; N146-K1394 WeakPolarHBondContact CB-O 3.49Å; N146-K1394 PolarHBondContact N-O 3.09Å; N146-K1394 VanDerWaalsContact N-O 3.11Å; N146-G1395 VanDerWaalsContact CG-CA 3.42Å; N146-G1395 WeakPolarHBondContact OD1-CA 3.36Å; N146-S1396 WeakPolarHBondContact OD1-CB 3.35Å; N146-S1396 PolarHBondContact OD1-OG 3.14Å; N146-S1396 VanDerWaalsContact OD1-OG 3.11Å
147	K	27.5	Very low	28.7	Very low	156 Å²	156	146.8 Å²	146.8	68%	0.678	72%	0.72	S	S	*	*				-171.9	174.1	110.6	-96.1	168.3	173.5	-172	0	107.3	I149	K147-I149 HydrophobicContact CB-CD1 4.5Å; K147-I149 HydrophobicContact CD-CD1 3.81Å; K147-I149 HydrophobicContact CG-CD1 4.02Å
148	Y	27.7	Very low	28.8	Very low	189 Å²	189	147.3 Å²	147.3	74%	0.741	72%	0.716	S	S	*	*			cis	-138.7	147.3	30.8	-89.3	-102.2	0	0	0	109.2
149	I	29.6	Very low	29	Very low	100 Å²	100	143.3 Å²	143.3	51%	0.513	70%	0.701	S	S	.	*				69.9	146.7	62.6	-66	164.2	0	0	0	110.6	K147	K147-I149 HydrophobicContact CB-CD1 4.5Å; K147-I149 HydrophobicContact CD-CD1 3.81Å; K147-I149 HydrophobicContact CG-CD1 4.02Å
150	Q	31.1	Very low	29	Very low	162 Å²	162	145.4 Å²	145.4	76%	0.757	70%	0.697	S	S	*	*			cis	-79.1	178.7	-1.8	-82.9	91.5	-70.6	0	0	112.8
151	T	31.3	Very low	29.2	Very low	120 Å²	120	149.7 Å²	149.7	74%	0.736	70%	0.703	S	S	*	*			cis	-155.2	-174.2	-8.2	10	0	0	0	0	107.5
152	N	32	Very low	29.2	Very low	122 Å²	122	141.9 Å²	141.9	65%	0.652	69%	0.692	S	S	*	*			cis	-146.8	-178.6	3.3	-146.5	0.2	0	0	0	114.6
153	Q	31.1	Very low	29.6	Very low	147 Å²	147	145.4 Å²	145.4	69%	0.687	70%	0.701	S	S	*	*			trans	-48.8	160.9	159.4	-63.6	167.3	57	0	0	116.1
154	M	32	Very low	29.6	Very low	164 Å²	164	140.8 Å²	140.8	81%	0.808	70%	0.699	S	S	*	*			cis	-129.3	146.4	-1.2	-72.6	-163.7	-173.6	0	0	110
155	N	29.7	Very low	30	Very low	138 Å²	138	143 Å²	143	74%	0.738	71%	0.712	S	S	*	*			cis	98.8	89.1	42.4	-143.2	17.5	0	0	0	114.2
156	K	33	Very low	30.1	Very low	195 Å²	195	147.4 Å²	147.4	85%	0.848	73%	0.731	S	S	*	*			trans	148.8	153.6	139.9	-80.1	163.6	-175.8	178.2	0	112.4
157	T	28.9	Very low	30.1	Very low	117 Å²	117	150 Å²	150	72%	0.718	74%	0.744	S	S	*	*			cis	-179.4	168.2	-34.3	-58.1	0	0	0	0	105
158	I	32.4	Very low	30	Very low	152 Å²	152	150.2 Å²	150.2	78%	0.779	75%	0.749	S	S	*	*			trans	79.5	101.2	169.2	-49.6	173.1	0	0	0	113.4
159	D	30.8	Very low	29.8	Very low	106 Å²	106	146.6 Å²	146.6	57%	0.567	74%	0.741	S	S	*	*				73.4	133.5	50.2	-147.5	74.1	0	0	0	112.7
160	R	29.4	Very low	29.6	Very low	203 Å²	203	147.9 Å²	147.9	77%	0.766	74%	0.744	S	S	*	*			cis	-173.1	176.6	-20.5	-110.7	-176.6	-172.6	158	-5	106.2
161	R	30.6	Very low	29.3	Very low	232 Å²	232	142.9 Å²	142.9	88%	0.875	73%	0.726	S	S	*	*			trans	72.8	130.5	169	-38.6	167.8	-144	-161.9	4	113.4
162	G	27.5	Very low	28.9	Very low	66 Å²	66	142.1 Å²	142.1	68%	0.68	73%	0.725	S	S	*	*			cis	115.6	106.6	-4.8	0	0	0	0	0	113.5
163	F	31	Very low	28.6	Very low	216 Å²	216	144.3 Å²	144.3	95%	0.947	73%	0.731	S	S	*	*			trans	-154.3	172	165.1	-109.1	-77.2	0	0	0	110.8
164	S	26.3	Very low	28.3	Very low	110 Å²	110	142.3 Å²	142.3	77%	0.769	73%	0.734	S	S	*	*			trans	-141.5	-165.9	-172.9	-50.6	0	0	0	0	111.5
165	P	34.4	Very low	27.9	Very low	121 Å²	121	145.6 Å²	145.6	79%	0.786	74%	0.737	S	S	*	*				-127.1	163.7	-104.9	37.8	-20.5	0	0	0	115.7
166	K	28.1	Very low	27.8	Very low	192 Å²	192	144.1 Å²	144.1	84%	0.835	73%	0.733	S	S	*	*			trans	-170.6	152	156.6	-110.7	172.2	179.6	-177.6	0	114.4
167	I	28.9	Very low	27.5	Very low	143 Å²	143	142 Å²	142	73%	0.733	73%	0.726	S	S	*	*			trans	65.4	106.6	145.7	-63	165	0	0	0	120.5
168	M	24	Very low	27.3	Very low	159 Å²	159	146.3 Å²	146.3	78%	0.783	73%	0.731	S	S	*	*				36.4	136.1	128.2	-84.7	166.8	65	0	0	125.5
169	L	24.1	Very low	27.2	Very low	113 Å²	113	144.9 Å²	144.9	59%	0.592	73%	0.731	S	S	*	*			trans	85.1	114.2	140	-70.3	173.2	0	0	0	123.1
170	K	24.3	Very low	27	Very low	128 Å²	128	148.7 Å²	148.7	56%	0.557	74%	0.743	S	S	*	*				83.9	152	129.4	-82	-175.8	176.5	-174.7	0	123.2	V717 N719	K170-V717 HydrophobicContact CD-CG2 4.33Å; K170-V717 VanDerWaalsContact NZ-CG2 3.26Å; K170-N719 PolarHBondContact O-OD1 2.77Å
171	S	25.7	Very low	27	Very low	56 Å²	56	148.2 Å²	148.2	39%	0.392	75%	0.749	S	S	.	*			trans	57.3	100.1	158.9	13.5	0	0	0	0	123.1	N719	S171-N719 VanDerWaalsContact CB-OD1 3.26Å; S171-N719 WeakPolarHBondContact CB-OD1 3.29Å; S171-N719 PolarHBondContact O-ND2 3.04Å; S171-N719 PolarHBondContact OG-OD1 2.95Å
172	C	23.1	Very low	26.8	Very low	105 Å²	105	146.6 Å²	146.6	71%	0.709	75%	0.748	S	S	*	*				72.9	134.4	120.6	-69.2	0	0	0	0	123.8
173	E	24.8	Very low	27	Very low	167 Å²	167	152.6 Å²	152.6	78%	0.78	76%	0.759	S	S	*	*			trans	82.5	106.5	132.5	-75.3	159.8	-122.7	0	0	123.7
174	S	24.9	Very low	26.6	Very low	106 Å²	106	150.4 Å²	150.4	74%	0.741	75%	0.752	S	S	*	*				98.7	143.3	120.8	81.1	0	0	0	0	121.1
175	R	24.8	Very low	26.7	Very low	233 Å²	233	154.2 Å²	154.2	88%	0.879	76%	0.755	S	S	*	*			trans	64.5	153.8	164.1	-73.7	173.6	172.9	171.4	-3.1	116.2
176	T	27.9	Very low	26.3	Very low	107 Å²	107	153.5 Å²	153.5	66%	0.656	75%	0.748	S	S	*	*			cis	-150.3	136	3.5	1	0	0	0	0	108.4
177	Q	26.1	Very low	26.2	Very low	150 Å²	150	151.4 Å²	151.4	70%	0.701	75%	0.745	S	S	*	*				63.9	119.3	100.8	-77.7	-175.8	-45.4	0	0	119.9
178	Y	25.2	Very low	26.2	Very low	207 Å²	207	150.3 Å²	150.3	81%	0.812	75%	0.745	S	S	*	*			trans	66.2	166.2	147.8	-63.7	-51.9	0	0	0	120
179	P	30.1	Very low	26.3	Very low	122 Å²	122	148.8 Å²	148.8	79%	0.792	74%	0.74	S	S	*	*			cis	-123.6	-166.9	3.3	41.8	-26.1	0	0	0	115.9
180	K	25.8	Very low	26.7	Very low	187 Å²	187	151 Å²	151	81%	0.813	75%	0.747	S	S	*	*			trans	-112	148.6	169.5	-58	176.2	178.1	179.1	0	109.7
181	E	30.2	Very low	26.8	Very low	192 Å²	192	151.6 Å²	151.6	90%	0.897	76%	0.757	S	S	*	*			trans	178.9	132.6	144.2	-96.8	137.7	-152.7	0	0	106.4
182	K	26	Very low	27.1	Very low	198 Å²	198	156.7 Å²	156.7	86%	0.861	78%	0.778	S	S	*	*			cis	73.4	100.2	47.7	-108.8	-151.7	176.1	-154.2	0	114.8
183	E	30.3	Very low	27.2	Very low	193 Å²	193	158.7 Å²	158.7	90%	0.902	78%	0.781	S	S	*	*			trans	-158.6	157.4	157.7	-118.9	170.2	-157.7	0	0	110.7
184	E	23.8	Very low	27.5	Very low	170 Å²	170	157.6 Å²	157.6	79%	0.794	78%	0.776	S	S	*	*			trans	-127.5	143.6	-171.6	-64.7	173.5	86.9	0	0	112.3
185	F	28.6	Very low	27.7	Very low	189 Å²	189	160.8 Å²	160.8	83%	0.829	78%	0.776	S	S	*	*			trans	-151.4	110.2	156.8	-86.2	-90.3	0	0	0	107.4
186	T	26.5	Very low	28	Very low	107 Å²	107	155.3 Å²	155.3	66%	0.656	77%	0.771	S	S	*	*				62.6	138.3	71.2	68.1	0	0	0	0	114.3
187	L	25	Very low	28.2	Very low	147 Å²	147	157 Å²	157	77%	0.77	78%	0.776	S	S	*	*			cis	-170.6	-160.2	-12.8	-127.1	169.5	0	0	0	108.7
188	V	28.8	Very low	28.2	Very low	121 Å²	121	156.9 Å²	156.9	73%	0.733	78%	0.775	S	S	*	*			trans	79.8	101.9	168.6	-167.7	0	0	0	0	113.7
189	N	27.1	Very low	28.3	Very low	126 Å²	126	157.5 Å²	157.5	67%	0.674	78%	0.778	S	S	*	*				67.3	140.9	76.5	-64.8	4.9	0	0	0	112.8
190	E	31.5	Very low	28	Very low	159 Å²	159	158.9 Å²	158.9	74%	0.743	78%	0.778	S	S	*	*			cis	-164	135.3	35.3	-151	157.2	-107.1	0	0	114.7
191	N	26.8	Very low	28.2	Very low	141 Å²	141	156.9 Å²	156.9	75%	0.754	78%	0.782	S	S	*	*			trans	37.8	172.9	141.6	-62.8	-42.1	0	0	0	126.2
192	I	30.9	Very low	28	Very low	163 Å²	163	152.2 Å²	152.2	84%	0.836	77%	0.77	S	S	*	*			trans	82.5	107.7	170.8	-48.4	176.7	0	0	0	114.5
193	L	26.2	Very low	28	Very low	147 Å²	147	149.5 Å²	149.5	77%	0.77	77%	0.77	S	S	*	*			cis	110	133.6	12.8	-165.2	85.8	0	0	0	113.4
194	Q	30.6	Very low	27.9	Very low	144 Å²	144	144 Å²	144	67%	0.673	77%	0.765	S	S	*	*			trans	73.5	147.2	176.1	-46.4	-163.8	55.4	0	0	115.6
195	K	28.9	Very low	28.1	Very low	174 Å²	174	144.4 Å²	144.4	76%	0.757	77%	0.767	S	S	*	*			cis	-157.6	158.9	-17.5	-114	174.6	-175.5	156.6	0	107.7
196	P	32.4	Very low	28.3	Very low	117 Å²	117	142.5 Å²	142.5	76%	0.76	77%	0.765	S	S	*	*			trans	-86.5	149.4	177.2	35.1	-33	0	0	0	112.1
197	D	31.4	Very low	28.5	Very low	144 Å²	144	145.3 Å²	145.3	77%	0.77	77%	0.768	S	S	*	*			trans	-157.5	176.3	147.1	-130.9	-40.7	0	0	0	113
198	Q	25.6	Very low	28.7	Very low	146 Å²	146	144.9 Å²	144.9	68%	0.682	77%	0.767	S	S	*	*			trans	-66.9	155.3	-170.2	-60.4	148.2	60.8	0	0	114.6
199	Y	28.3	Very low	28.8	Very low	221 Å²	221	144.5 Å²	144.5	87%	0.867	78%	0.777	S	S	*	*				-176.1	149.5	111.8	-102	-69.8	0	0	0	112.5
200	N	23.2	Very low	28.8	Very low	151 Å²	151	143.5 Å²	143.5	81%	0.807	77%	0.771	S	S	*	*			trans	-80.4	152.6	167.3	-66.3	-70.8	0	0	0	110.5
201	V	29.9	Very low	28.6	Very low	145 Å²	145	144.3 Å²	144.3	88%	0.879	78%	0.775	S	S	*	*			trans	-167.8	158.8	131.1	134.8	0	0	0	0	112.3
202	S	25.9	Very low	28.7	Very low	94 Å²	94	144.3 Å²	144.3	66%	0.657	77%	0.773	S	S	*	*			trans	-77.2	149.7	-163.6	54.1	0	0	0	0	118.1
203	V	25.8	Very low	28.3	Very low	140 Å²	140	139.9 Å²	139.9	85%	0.848	76%	0.757	S	S	*	*			trans	55.1	104.5	136.6	-179	0	0	0	0	118
204	G	29.2	Very low	28.4	Very low	78 Å²	78	135.8 Å²	135.8	80%	0.804	74%	0.736	S	S	*	*			trans	-128.1	133.4	151.1	0	0	0	0	0	110
205	Q	28.3	Very low	28.3	Very low	178 Å²	178	137.6 Å²	137.6	83%	0.832	74%	0.744	S	S	*	*			trans	-91.3	124.8	167.7	-67.7	-176.9	27.1	0	0	108.8
206	D	32.1	Very low	28.3	Very low	149 Å²	149	133.4 Å²	133.4	80%	0.797	74%	0.737	S	S	*	*			trans	-145.8	168.9	149.1	-132.9	-30.9	0	0	0	114.6
207	K	29.5	Very low	28.2	Very low	166 Å²	166	133 Å²	133	72%	0.722	73%	0.729	S	S	*	*			trans	-97	179.5	-177.7	-57.5	120.4	-170.5	162.2	0	110.3
208	N	29.4	Very low	28.2	Very low	139 Å²	139	132.9 Å²	132.9	74%	0.743	73%	0.728	S	S	*	*			trans	72.5	56.9	173.9	-46.7	-13.3	0	0	0	114.9	D210	N208-D210 VanDerWaalsContact C-N 3.28Å; N208-D210 PolarHBondContact O-N 3.41Å
209	A	30.8	Very low	28.4	Very low	113 Å²	113	130.8 Å²	130.8	93%	0.934	72%	0.721	S	S	*	*			trans	-81.8	83.5	148.4	0	0	0	0	0	108
210	D	28.9	Very low	28.6	Very low	104 Å²	104	128.3 Å²	128.3	56%	0.556	72%	0.723	S	S	*	*			trans	-80	166.6	-176.5	-97.3	-71.6	0	0	0	113.7	N208 I212	N208-D210 VanDerWaalsContact C-N 3.28Å; N208-D210 PolarHBondContact O-N 3.41Å; D210-I212 PolarHBondContact O-N 3.26Å
211	Q	26.9	Very low	29	Very low	177 Å²	177	129.6 Å²	129.6	83%	0.827	72%	0.724	S	S	*	*			trans	15	70.1	151.8	-55.9	-177.6	55.8	0	0	118.3
212	I	27.5	Very low	29.1	Very low	140 Å²	140	129.4 Å²	129.4	72%	0.718	72%	0.718	S	S	*	*			trans	-99	109.2	154	-61.2	179.7	0	0	0	108	D210	D210-I212 PolarHBondContact O-N 3.26Å
213	S	23.8	Very low	29.1	Very low	71 Å²	71	126.9 Å²	126.9	50%	0.497	71%	0.706	S	S	.	*			trans	-82.5	110.6	162.1	48	0	0	0	0	108.7	Q215	S213-Q215 PolarHBondContact O-N 3.31Å
214	D	27.3	Very low	29.3	Very low	60 Å²	60	125 Å²	125	32%	0.321	70%	0.698	S	S	.	*	S	Bend	trans	-63.5	77.6	164.7	-33.5	-6.7	0	0	0	109.7	R430	D214-R430 IonicContact OD1-NH1 3.03Å; D214-R430 IonicContact OD2-CZ 2.95Å; D214-R430 IonicContact OD2-NH1 2.89Å; D214-R430 PolarHBondContact OD2-NH1 2.95Å
215	Q	29.7	Very low	29.5	Very low	183 Å²	183	125.5 Å²	125.5	86%	0.855	68%	0.682	S	S	*	*	S	Bend	trans	-119.7	5.2	159.3	-71.1	-163.7	-100	0	0	110.3	S213	S213-Q215 PolarHBondContact O-N 3.31Å
216	S	27.7	Very low	29.8	Very low	86 Å²	86	124.2 Å²	124.2	60%	0.601	68%	0.676	S	S	*	*			trans	-147.1	61.8	-177.2	61.3	0	0	0	0	110.1
217	D	30.3	Very low	29.8	Very low	109 Å²	109	124.5 Å²	124.5	58%	0.583	68%	0.677	S	S	*	*	S	Bend	trans	-110.5	88.7	151.9	-89.8	-16.4	0	0	0	103.5	K518	D217-K518 IonicContact OD2-NZ 2.77Å; D217-K518 PolarHBondContact OD2-NZ 2.94Å
218	N	31.6	Very low	30	Very low	140 Å²	140	122.2 Å²	122.2	75%	0.749	67%	0.673	S	S	*	*			trans	11.3	121.3	170.4	-50.1	2.8	0	0	0	117.5
219	D	31	Very low	30	Very low	102 Å²	102	120.3 Å²	120.3	55%	0.545	67%	0.667	S	S	.	*				45.4	102.4	66.8	-55.5	-41.5	0	0	0	110.7
220	D	31.1	Very low	30.1	Very low	170 Å²	170	120.8 Å²	120.8	91%	0.909	66%	0.658	S	S	*	*	S	Bend		-156.3	42.5	88.9	-75.3	-39.5	0	0	0	112.5
221	E	32.4	Very low	30.3	Very low	177 Å²	177	121.5 Å²	121.5	83%	0.827	66%	0.66	S	S	*	*			trans	-122.4	19.8	171.8	-147.1	-177.6	-143.1	0	0	113	G223	E221-G223 PolarHBondContact O-N 2.96Å; E221-G223 VanDerWaalsContact O-N 3.15Å
222	L	31.1	Very low	30.4	Very low	142 Å²	142	120.1 Å²	120.1	74%	0.743	66%	0.657	S	S	*	*			trans	-82.1	81.7	168.2	-87.8	78.9	0	0	0	110.2
223	G	26.9	Very low	30.5	Very low	40 Å²	40	116.5 Å²	116.5	41%	0.412	66%	0.655	S	S	.	*			trans	-147.7	-55.3	169.7	0	0	0	0	0	113.2	E221 L225 E226	E221-G223 PolarHBondContact O-N 2.96Å; E221-G223 VanDerWaalsContact O-N 3.15Å; G223-L225 PolarHBondContact O-N 2.81Å; G223-E226 PolarHBondContact O-N 2.96Å
224	C	29.9	Very low	30.7	Very low	101 Å²	101	120.1 Å²	120.1	68%	0.682	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	22.3	-159.6	-47.3	0	0	0	0	117.3
225	L	34.1	Very low	30.9	Very low	89 Å²	89	124.7 Å²	124.7	47%	0.466	69%	0.693	S	S	.	*	T	Hydrogen-bonded Turn	trans	-146	0.8	174.8	-77.3	-177.6	0	0	0	115.7	G223 K308	G223-L225 PolarHBondContact O-N 2.81Å; L225-K308 HydrophobicContact CD1-CD 4.05Å
226	E	33.9	Very low	30.8	Very low	150 Å²	150	122.6 Å²	122.6	70%	0.701	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-24.9	-178.8	-57.6	-138.1	133.5	0	0	113.7	G223 D228 T229	G223-E226 PolarHBondContact O-N 2.96Å; E226-D228 VanDerWaalsContact C-N 3.34Å; E226-D228 PolarHBondContact O-N 2.85Å; E226-T229 WeakPolarHBondContact O-CG2 3.32Å
227	D	32.1	Very low	30.9	Very low	155 Å²	155	123.3 Å²	123.3	83%	0.829	69%	0.688	S	S	*	*	S	Bend	trans	-74.6	-16.5	-179.9	-73.6	-43.9	0	0	0	114.8	T229	D227-T229 PolarHBondContact O-N 3.45Å
228	D	33.4	Very low	30.8	Very low	118 Å²	118	123 Å²	123	63%	0.631	70%	0.701	S	S	*	*			trans	-74.9	28.1	-180	-119.7	-17.7	0	0	0	112.8	E226 V230	E226-D228 VanDerWaalsContact C-N 3.34Å; E226-D228 PolarHBondContact O-N 2.85Å; D228-V230 PolarHBondContact O-N 2.96Å
229	T	30.3	Very low	30.8	Very low	100 Å²	100	122.2 Å²	122.2	61%	0.613	70%	0.701	S	S	*	*			trans	-79.8	39.9	179.5	46.3	0	0	0	0	113.4	E226 D227 I231	E226-T229 WeakPolarHBondContact O-CG2 3.32Å; D227-T229 PolarHBondContact O-N 3.45Å; T229-I231 PolarHBondContact O-N 3.25Å
230	V	33.2	Very low	30.6	Very low	123 Å²	123	124.8 Å²	124.8	75%	0.745	71%	0.714	S	S	*	*			trans	-51.9	107.7	-177.6	-178.6	0	0	0	0	111.5	D228	D228-V230 PolarHBondContact O-N 2.96Å
231	I	31.6	Very low	30.6	Very low	118 Å²	118	123.1 Å²	123.1	61%	0.605	70%	0.703	S	S	*	*			trans	-73.6	141.9	169.4	-54.6	-167.5	0	0	0	108.1	T229 G233	T229-I231 PolarHBondContact O-N 3.25Å; I231-G233 PolarHBondContact O-N 3.2Å; I231-G233 VanDerWaalsContact O-N 3.1Å
232	I	29.6	Very low	30.4	Very low	148 Å²	148	120.2 Å²	120.2	76%	0.759	70%	0.702	S	S	*	*			trans	-56	117.4	178.6	-56.7	169.7	0	0	0	109.7
233	G	30.1	Very low	30.6	Very low	65 Å²	65	119.7 Å²	119.7	67%	0.67	70%	0.7	S	S	*	*			trans	-155.1	116.6	169	0	0	0	0	0	108.3	I231 N235	I231-G233 PolarHBondContact O-N 3.2Å; I231-G233 VanDerWaalsContact O-N 3.1Å; G233-N235 PolarHBondContact O-N 2.92Å
234	D	28.1	Very low	30.6	Very low	146 Å²	146	122.7 Å²	122.7	78%	0.781	72%	0.715	S	S	*	*			trans	-78.1	110.2	-179.6	-58.7	-67.3	0	0	0	109.8
235	N	29.9	Very low	30.7	Very low	156 Å²	156	124.8 Å²	124.8	83%	0.834	72%	0.719	S	S	*	*			trans	-160	112.2	163.6	-95.8	-36.3	0	0	0	109.2	G233	G233-N235 PolarHBondContact O-N 2.92Å
236	E	27.8	Very low	30.6	Very low	139 Å²	139	122.3 Å²	122.3	65%	0.65	71%	0.712	S	S	*	*			trans	-96.7	93.7	171.4	-73.5	-174.3	139.5	0	0	109.9	K289	E236-K289 WeakPolarHBondContact OE1-CE 3.39Å; E236-K289 IonicContact OE1-NZ 2.88Å; E236-K289 PolarHBondContact OE1-NZ 2.84Å; E236-K289 IonicContact OE2-NZ 3.44Å; E236-K289 PolarHBondContact OE2-NZ 2.81Å
237	S	30.8	Very low	30.5	Very low	101 Å²	101	120.7 Å²	120.7	71%	0.706	72%	0.717	S	S	*	*			trans	-139	141.7	167.4	59.3	0	0	0	0	109.9
238	A	27.6	Very low	30.5	Very low	104 Å²	104	119 Å²	119	86%	0.86	72%	0.716	S	S	*	*			trans	-50.7	136.5	-166.5	0	0	0	0	0	115.3
239	V	31.8	Very low	30.6	Very low	123 Å²	123	118.8 Å²	118.8	75%	0.745	72%	0.719	S	S	*	*			trans	-134.3	109.1	157.9	-178.1	0	0	0	0	106.9	M241	V239-M241 HydrophobicContact CG1-CG 4.16Å; V239-M241 HydrophobicContact CG1-SD 4.12Å
240	D	26.6	Very low	30.6	Very low	155 Å²	155	123.4 Å²	123.4	83%	0.829	73%	0.725	S	S	*	*			trans	-68.8	140.4	162.1	-94.3	-52.7	0	0	0	109.1
241	M	32.4	Very low	30.5	Very low	135 Å²	135	129 Å²	129	67%	0.665	73%	0.732	S	S	*	*			trans	-130.7	81.3	167.9	-72.1	-59.1	-60.1	0	0	109.3	V239 D243	V239-M241 HydrophobicContact CG1-CG 4.16Å; V239-M241 HydrophobicContact CG1-SD 4.12Å; M241-D243 HydrophobicContact CE-CB 4.21Å; M241-D243 WeakPolarHBondContact CE-OD2 3.29Å; M241-D243 PolarHBondContact O-N 3.06Å
242	S	27.7	Very low	30.7	Very low	117 Å²	117	131.7 Å²	131.7	82%	0.818	75%	0.747	S	S	*	*			trans	-75	94.4	155.1	55.5	0	0	0	0	108.3
243	D	34	Very low	30.9	Very low	130 Å²	130	129.3 Å²	129.3	70%	0.695	74%	0.744	S	S	*	*			trans	-137.1	148.7	172.1	-110.3	-41.3	0	0	0	111.7	M241	M241-D243 HydrophobicContact CE-CB 4.21Å; M241-D243 WeakPolarHBondContact CE-OD2 3.29Å; M241-D243 PolarHBondContact O-N 3.06Å
244	S	28.6	Very low	31.2	Very low	103 Å²	103	133.7 Å²	133.7	72%	0.72	75%	0.752	S	S	*	*			trans	-116.1	66.8	-148.1	62.4	0	0	0	0	115.9	A246	S244-A246 PolarHBondContact O-N 3.42Å
245	D	32	Very low	31.9	Very low	146 Å²	146	133.8 Å²	133.8	78%	0.781	75%	0.751	S	S	*	*			trans	-74	70.3	167.1	-84.6	-23.1	0	0	0	111.6
246	A	32	Very low	33	Very low	37 Å²	37	131.9 Å²	131.9	31%	0.306	75%	0.747	S	S	.	*			trans	-119.3	35	-170.3	0	0	0	0	0	114.3	S244	S244-A246 PolarHBondContact O-N 3.42Å
247	S	31.1	Very low	34.8	Very low	115 Å²	115	129.7 Å²	129.7	80%	0.804	74%	0.737	S	S	*	*	S	Bend	trans	-109.9	-21.8	-173.5	56.2	0	0	0	0	116.2
248	C	31.2	Very low	37.1	Very low	121 Å²	121	129 Å²	129	82%	0.818	72%	0.723	S	S	*	*	S	Bend	trans	-130.1	8.6	-172	-155.7	0	0	0	0	116.7
249	T	35.9	Very low	39.7	Very low	112 Å²	112	129 Å²	129	69%	0.687	71%	0.707	S	S	*	*			trans	-118.1	-6.8	-176.5	50	0	0	0	0	115.1	R251	T249-R251 PolarHBondContact O-N 3.26Å
250	R	30.6	Very low	42.3	Very low	197 Å²	197	123.6 Å²	123.6	74%	0.743	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	72.6	-171.9	-69.7	-180	171.8	171.6	-2.4	114
251	R	31.2	Very low	45.2	Very low	240 Å²	240	118.2 Å²	118.2	91%	0.906	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-164.5	9.8	154.2	-112.6	168.9	-147.2	-144.2	4.8	117.5	T249	T249-R251 PolarHBondContact O-N 3.26Å
252	L	35.2	Very low	47.9	Very low	175 Å²	175	113.1 Å²	113.1	92%	0.916	62%	0.624	S	S	*	*			trans	-116.7	69.6	174.2	-75	171.7	0	0	0	111.6
253	S	33.3	Very low	50.8	Low	98 Å²	98	109.1 Å²	109.1	69%	0.685	60%	0.595	S	S	*	*			trans	-95.2	149.1	175.1	48.6	0	0	0	0	112.2
254	N	36.9	Very low	53.5	Low	157 Å²	157	103 Å²	103	84%	0.84	56%	0.562	S	S	*	*			trans	81.7	36	170.1	-51.4	-3.6	0	0	0	117.6
255	I	44.3	Very low	56.3	Low	148 Å²	148	98.8 Å²	98.8	76%	0.759	53%	0.533	S	S	*	.			trans	-106.3	125.1	150.9	-57.8	177.9	0	0	0	107.2	E257	I255-E257 PolarHBondContact O-N 2.94Å
256	P	52.3	Low	58.9	Low	117 Å²	117	92.6 Å²	92.6	76%	0.76	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-62.4	127.6	172.2	-20.5	32.9	0	0	0	110.6	E258	P256-E258 PolarHBondContact O-N 3.4Å
257	E	66	Low	61.5	Low	93 Å²	93	91.2 Å²	91.2	44%	0.435	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-69	126.6	172.2	-72.1	-168.3	124.4	0	0	110	I255 I259 T283 R313	I255-E257 PolarHBondContact O-N 2.94Å; E257-I259 PolarHBondContact O-N 3.45Å; E257-T283 HydrophobicContact CB-CG2 4.05Å; E257-T283 HydrophobicContact CG-CG2 4.45Å; E257-T283 WeakPolarHBondContact OE2-CG2 3.21Å; E257-R313 IonicContact OE1-CZ 2.87Å; E257-R313 IonicContact OE1-NH1 2.67Å; E257-R313 PolarHBondContact OE1-NH1 2.83Å; E257-R313 IonicContact OE1-NH2 3.12Å; E257-R313 PolarHBondContact OE1-NH2 3.14Å
258	E	77.9	Confident	64.1	Low	87 Å²	87	86 Å²	86	41%	0.407	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	120.5	178.1	-174.8	-169.4	-165	0	0	110	P256 L260 K281 Q282 T283	P256-E258 PolarHBondContact O-N 3.4Å; E258-L260 HydrophobicContact CG-CD2 4.11Å; E258-L260 HydrophobicContact CG-CG 4.05Å; E258-L260 PolarHBondContact O-N 3.37Å; E258-L260 WeakPolarHBondContact OE1-CD2 3.47Å; E258-K281 PolarHBondContact N-O 3.1Å; E258-Q282 HydrophobicContact CB-CG 4.28Å; E258-Q282 CarbonylContact O-C 3.49Å; E258-Q282 WeakPolarHBondContact O-CA 3.17Å; E258-Q282 PolarHBondContact OE2-NE2 3.44Å; E258-T283 PolarHBondContact O-N 2.69Å
259	I	83.2	Confident	66.4	Low	104 Å²	104	82 Å²	82	53%	0.533	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	108.8	177.1	-52.8	176.5	0	0	0	108.7	E257 Y660	E257-I259 PolarHBondContact O-N 3.45Å; I259-Y660 HydrophobicContact CD1-CE2 4.28Å
260	L	86	Confident	68.2	Low	8 Å²	8	80.1 Å²	80.1	4%	0.042	41%	0.41	C	S	.	.			trans	-104.1	151	179.9	-71.4	176.5	0	0	0	112.1	E258 V278 Q282 T283 V284 P285	E258-L260 HydrophobicContact CG-CD2 4.11Å; E258-L260 HydrophobicContact CG-CG 4.05Å; E258-L260 PolarHBondContact O-N 3.37Å; E258-L260 WeakPolarHBondContact OE1-CD2 3.47Å; L260-V278 HydrophobicContact CD1-CG1 4.35Å; L260-Q282 HydrophobicContact CD1-CB 4.42Å; L260-Q282 HydrophobicContact CD1-CG 4.38Å; L260-T283 PolarHBondContact N-O 3.43Å; L260-V284 HydrophobicContact CB-CG1 4.37Å; L260-P285 WeakPolarHBondContact O-CD 3.46Å
261	P	86.6	Confident	70.3	Confident	43 Å²	43	72.2 Å²	72.2	28%	0.279	38%	0.384	S	S	.	.			trans	-64.2	145.7	173.5	25.6	-31.3	0	0	0	110.4	V263 R276	P261-V263 PolarHBondContact O-N 3.36Å; P261-R276 WeakPolarHBondContact O-CD 3.32Å; P261-R276 PolarHBondContact O-NE 3.38Å
262	P	89.5	Confident	72.6	Confident	27 Å²	27	63.5 Å²	63.5	18%	0.175	36%	0.358	C	S	.	.	S	Bend	trans	-75.6	-1.8	-169.9	34.1	-37.4	0	0	0	113.5	R276 V284 P285 F287	P262-R276 PolarHBondContact O-N 3.4Å; P262-V284 HydrophobicContact CB-CB 4.29Å; P262-P285 HydrophobicContact CB-CG 4.46Å; P262-P285 HydrophobicContact CG-CG 4.16Å; P262-F287 HydrophobicContact CB-CD2 4.06Å; P262-F287 HydrophobicContact CB-CE1 4.46Å; P262-F287 HydrophobicContact CB-CE2 3.61Å; P262-F287 HydrophobicContact CB-CZ 3.82Å; P262-F287 HydrophobicContact CG-CE1 4.35Å; P262-F287 HydrophobicContact CG-CE2 4.32Å; P262-F287 HydrophobicContact CG-CZ 4.18Å; P262-F287 WeakPolarHBondContact O-CZ 3.49Å
263	V	89.8	Confident	75	Confident	34 Å²	34	57.7 Å²	57.7	21%	0.206	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	156.8	170.9	-66.6	0	0	0	0	110.1	P261 V274 R276 F287	P261-V263 PolarHBondContact O-N 3.36Å; V263-V274 CarbonylContact C-O 3.55Å; V263-V274 WeakPolarHBondContact CA-O 3.28Å; V263-V274 VanDerWaalsContact CB-O 3.25Å; V263-V274 WeakPolarHBondContact CB-O 3.45Å; V263-R276 PolarHBondContact O-NH2 3.47Å; V263-F287 HydrophobicContact CG1-CE1 3.91Å; V263-F287 HydrophobicContact CG1-CZ 3.72Å
264	I	89.5	Confident	77.7	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	121.6	158.8	-60.9	160.7	0	0	0	106.2	S273 V274 R276 N631 Y881 R882 L885 D965	I264-S273 WeakPolarHBondContact O-CA 3.41Å; I264-S273 WeakPolarHBondContact O-CB 3.47Å; I264-V274 HydrophobicContact CB-CG2 3.84Å; I264-V274 HydrophobicContact CD1-CG2 4.32Å; I264-V274 PolarHBondContact N-O 3.04Å; I264-V274 PolarHBondContact O-N 2.79Å; I264-R276 HydrophobicContact CD1-CG 4.44Å; I264-R276 HydrophobicContact CG1-CB 4.23Å; I264-R276 HydrophobicContact CG1-CG 4.19Å; I264-N631 HydrophobicContact CD1-CB 3.92Å; I264-Y881 HydrophobicContact CG2-CE1 4.1Å; I264-R882 HydrophobicContact CD1-CG 4.26Å; I264-R882 HydrophobicContact CG2-CG 4.04Å; I264-L885 HydrophobicContact CD1-CD1 4.19Å; I264-L885 HydrophobicContact CG1-CD1 4.34Å; I264-L885 HydrophobicContact CG2-CD1 3.99Å; I264-D965 HydrophobicContact CG2-CB 4.3Å
265	A	87.9	Confident	80.4	Confident	13 Å²	13	46.2 Å²	46.2	11%	0.107	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-69.9	150.6	174.3	0	0	0	0	0	110.7	D965 P969	A265-D965 HydrophobicContact CB-CB 4.03Å; A265-P969 HydrophobicContact CB-CG 4.06Å
266	S	85.9	Confident	82.7	Confident	17 Å²	17	40 Å²	40	12%	0.119	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-70.7	148.1	165.7	175.6	0	0	0	0	109.9	L268 T271 D878	S266-L268 PolarHBondContact O-N 3.08Å; S266-L268 PolarHBondContact OG-N 3.14Å; S266-L268 PolarHBondContact OG-O 2.95Å; S266-T271 WeakPolarHBondContact OG-CB 3.48Å; S266-D878 WeakPolarHBondContact CB-OD2 3.33Å; S266-D878 PolarHBondContact OG-OD1 3.25Å; S266-D878 VanDerWaalsContact OG-OD1 3.14Å; S266-D878 PolarHBondContact OG-OD2 3.28Å
267	L	86.4	Confident	84.8	Confident	8 Å²	8	34.4 Å²	34.4	4%	0.042	20%	0.195	C	C	.	.	S	Bend	trans	-72	-11	168.3	-63.9	178.2	0	0	0	112.4	I877 D878 Y881 P964 L974 A982 T986	L267-I877 HydrophobicContact CD1-CG2 4.09Å; L267-D878 PolarHBondContact N-OD1 3.35Å; L267-Y881 HydrophobicContact CD1-CD1 4.2Å; L267-Y881 HydrophobicContact CD1-CD2 3.86Å; L267-Y881 HydrophobicContact CD1-CG 3.63Å; L267-Y881 HydrophobicContact CD2-CD1 4.16Å; L267-Y881 HydrophobicContact CD2-CD2 4.13Å; L267-Y881 HydrophobicContact CD2-CE1 4.13Å; L267-Y881 HydrophobicContact CD2-CE2 4.09Å; L267-Y881 HydrophobicContact CD2-CG 4.17Å; L267-Y881 HydrophobicContact CG-CD1 3.94Å; L267-Y881 HydrophobicContact CG-CD2 4.26Å; L267-Y881 HydrophobicContact CG-CE1 4.39Å; L267-Y881 HydrophobicContact CG-CG 3.89Å; L267-P964 HydrophobicContact CD2-CB 3.63Å; L267-L974 HydrophobicContact CB-CD1 4.21Å; L267-L974 HydrophobicContact CD2-CD1 4.08Å; L267-L974 WeakPolarHBondContact O-CD1 3.41Å; L267-A982 HydrophobicContact CD1-CB 3.98Å; L267-A982 HydrophobicContact CD2-CB 4.03Å; L267-T986 HydrophobicContact CD1-CG2 3.92Å
268	L	86.1	Confident	86.1	Confident	5 Å²	5	30 Å²	30	3%	0.026	17%	0.174	C	C	.	.	S	Bend	trans	-122.5	128	-164.6	-57.2	175.2	0	0	0	110.8	S266 T271 V874 I877 V996 I997	S266-L268 PolarHBondContact O-N 3.08Å; S266-L268 PolarHBondContact OG-N 3.14Å; S266-L268 PolarHBondContact OG-O 2.95Å; L268-T271 WeakPolarHBondContact O-CB 3.42Å; L268-T271 PolarHBondContact O-N 2.76Å; L268-T271 PolarHBondContact O-OG1 3.17Å; L268-V874 HydrophobicContact CD1-CB 4.03Å; L268-V874 HydrophobicContact CD1-CG1 4.04Å; L268-V874 HydrophobicContact CD1-CG2 3.86Å; L268-I877 HydrophobicContact CD1-CB 4.18Å; L268-I877 HydrophobicContact CD1-CD1 4.21Å; L268-I877 HydrophobicContact CD1-CG2 4.19Å; L268-V996 HydrophobicContact CD1-CG1 3.84Å; L268-V996 HydrophobicContact CD2-CB 4.45Å; L268-V996 HydrophobicContact CD2-CG1 4.1Å; L268-I997 HydrophobicContact CD2-CD1 4.43Å; L268-I997 HydrophobicContact CD2-CG1 3.52Å
269	P	80.2	Confident	86.8	Confident	38 Å²	38	26.6 Å²	26.6	25%	0.247	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	155.2	-174.2	26.5	-34.2	0	0	0	112.2	T271 I997 C1000 K1001	P269-T271 PolarHBondContact O-N 2.81Å; P269-T271 VanDerWaalsContact O-N 3.12Å; P269-I997 HydrophobicContact CG-CG2 4.13Å; P269-C1000 HydrophobicContact CG-CB 4.13Å; P269-K1001 HydrophobicContact CB-CG 4.5Å; P269-K1001 HydrophobicContact CG-CG 3.77Å
270	N	73.1	Confident	87.1	Confident	71 Å²	71	24 Å²	24	38%	0.38	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	-3.5	-173.3	-63.9	-58.6	0	0	0	116.5	C1000 K1007	N270-C1000 PolarHBondContact ND2-O 3.25Å; N270-C1000 VanDerWaalsContact ND2-O 3.15Å; N270-K1007 WeakPolarHBondContact OD1-CE 3.43Å; N270-K1007 PolarHBondContact OD1-NZ 3.42Å
271	T	76.1	Confident	87.1	Confident	32 Å²	32	31.1 Å²	31.1	20%	0.196	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-86.3	134.5	179.5	-54.5	0	0	0	0	111.6	S266 L268 P269 S273 V874	S266-T271 WeakPolarHBondContact OG-CB 3.48Å; L268-T271 WeakPolarHBondContact O-CB 3.42Å; L268-T271 PolarHBondContact O-N 2.76Å; L268-T271 PolarHBondContact O-OG1 3.17Å; P269-T271 PolarHBondContact O-N 2.81Å; P269-T271 VanDerWaalsContact O-N 3.12Å; T271-S273 PolarHBondContact O-N 3.11Å; T271-V874 HydrophobicContact CG2-CG1 3.75Å
272	P	78	Confident	87.2	Confident	56 Å²	56	30.5 Å²	30.5	36%	0.364	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-70.5	126.4	-178.8	-18.6	31.3	0	0	0	113.7	Q636	P272-Q636 PolarHBondContact O-NE2 3.15Å
273	S	85.2	Confident	87.2	Confident	54 Å²	54	31 Å²	31	38%	0.378	19%	0.185	S	C	.	.	P	Polyproline II helix	trans	-54.3	153.4	171.1	-48.5	0	0	0	0	112.8	I264 T271	I264-S273 WeakPolarHBondContact O-CA 3.41Å; I264-S273 WeakPolarHBondContact O-CB 3.47Å; T271-S273 PolarHBondContact O-N 3.11Å
274	V	90.4	Very high	87.2	Confident	10 Å²	10	30.2 Å²	30.2	6%	0.061	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	155.8	179.3	-54.7	0	0	0	0	111.3	V263 I264 F635 Q636 R882	V263-V274 CarbonylContact C-O 3.55Å; V263-V274 WeakPolarHBondContact CA-O 3.28Å; V263-V274 VanDerWaalsContact CB-O 3.25Å; V263-V274 WeakPolarHBondContact CB-O 3.45Å; I264-V274 HydrophobicContact CB-CG2 3.84Å; I264-V274 HydrophobicContact CD1-CG2 4.32Å; I264-V274 PolarHBondContact N-O 3.04Å; I264-V274 PolarHBondContact O-N 2.79Å; V274-F635 CarbonylContact C-O 3.58Å; V274-F635 VanDerWaalsContact CA-O 3.29Å; V274-F635 WeakPolarHBondContact CA-O 3.42Å; V274-F635 WeakPolarHBondContact CB-O 3.39Å; V274-Q636 HydrophobicContact CG1-CG 4.05Å; V274-R882 VanDerWaalsContact CG2-CD 3.48Å
275	L	93.6	Very high	87.1	Confident	4 Å²	4	33.2 Å²	33.2	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	135.3	178.5	-60.6	174.5	0	0	0	110.8	F277 F287 L295 F316 I326 F635 L637	L275-F277 HydrophobicContact CB-CE2 4.28Å; L275-F287 HydrophobicContact CD2-CE1 4.33Å; L275-F287 HydrophobicContact CD2-CE2 3.99Å; L275-F287 HydrophobicContact CD2-CZ 3.49Å; L275-F287 VanDerWaalsContact CD2-CZ 3.49Å; L275-L295 HydrophobicContact CD1-CD2 3.79Å; L275-L295 HydrophobicContact CD2-CD2 3.95Å; L275-F316 HydrophobicContact CD1-CE1 4.36Å; L275-F316 HydrophobicContact CD1-CE2 4.47Å; L275-F316 HydrophobicContact CD1-CZ 3.66Å; L275-I326 HydrophobicContact CD1-CD1 3.95Å; L275-I326 HydrophobicContact CD1-CG2 4.34Å; L275-F635 HydrophobicContact CB-CB 4.47Å; L275-F635 HydrophobicContact CD1-CB 4.4Å; L275-F635 PolarHBondContact N-O 3.47Å; L275-L637 HydrophobicContact CD1-CD2 4.45Å; L275-L637 HydrophobicContact CD2-CD2 4.11Å; L275-L637 HydrophobicContact CD2-CG 4.12Å
276	R	94	Very high	87.1	Confident	16 Å²	16	39.4 Å²	39.4	6%	0.06	22%	0.224	C	C	.	.			trans	-87.4	140	174.8	-167	-178.2	-54.4	-94.1	-10.8	110.9	P261 P262 V263 I264 V278 D965	P261-R276 WeakPolarHBondContact O-CD 3.32Å; P261-R276 PolarHBondContact O-NE 3.38Å; P262-R276 PolarHBondContact O-N 3.4Å; V263-R276 PolarHBondContact O-NH2 3.47Å; I264-R276 HydrophobicContact CD1-CG 4.44Å; I264-R276 HydrophobicContact CG1-CB 4.23Å; I264-R276 HydrophobicContact CG1-CG 4.19Å; R276-V278 HydrophobicContact CG-CG1 4.5Å; R276-D965 IonicContact CZ-OD2 3.27Å; R276-D965 IonicContact NH1-OD2 2.75Å; R276-D965 PolarHBondContact NH1-OD2 2.97Å; R276-D965 IonicContact NH2-OD2 3.44Å; R276-D965 PolarHBondContact NH2-OD2 3.16Å
277	F	95.7	Very high	87.1	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.222	C	C	.	.			trans	-113.2	139.5	171.6	-62.1	-100.8	0	0	0	110.1	L275 I310 L311 S314 F316 K627 F630 N631 F635	L275-F277 HydrophobicContact CB-CE2 4.28Å; F277-I310 HydrophobicContact CB-CG2 4.08Å; F277-I310 HydrophobicContact CD1-CG2 4.23Å; F277-L311 HydrophobicContact CE1-CD2 4.07Å; F277-S314 WeakPolarHBondContact CA-OG 3.36Å; F277-F316 HydrophobicContact CD1-CE2 4.14Å; F277-F316 HydrophobicContact CE1-CD2 4.01Å; F277-F316 AromaticContact CE1-CE2 3.34Å; F277-F316 HydrophobicContact CE1-CE2 3.34Å; F277-F316 AromaticContact CE1-CZ 3.79Å; F277-F316 HydrophobicContact CE1-CZ 3.79Å; F277-F316 AromaticContact CZ-CE2 3.57Å; F277-F316 HydrophobicContact CZ-CE2 3.57Å; F277-F316 AromaticContact CZ-CZ 3.61Å; F277-F316 HydrophobicContact CZ-CZ 3.61Å; F277-K627 WeakPolarHBondContact O-CG 3.31Å; F277-F630 HydrophobicContact CB-CB 3.99Å; F277-F630 HydrophobicContact CD1-CB 3.87Å; F277-F630 AromaticContact CD1-CD2 3.72Å; F277-F630 HydrophobicContact CD1-CD2 3.72Å; F277-F630 HydrophobicContact CD1-CG 4.14Å; F277-F630 HydrophobicContact CD2-CB 3.59Å; F277-F630 HydrophobicContact CE1-CB 4.22Å; F277-F630 HydrophobicContact CE1-CD2 4.07Å; F277-F630 HydrophobicContact CE1-CG 4.31Å; F277-F630 HydrophobicContact CE2-CB 3.99Å; F277-F630 HydrophobicContact CG-CB 3.53Å; F277-F630 HydrophobicContact CG-CD2 4.18Å; F277-F630 HydrophobicContact CG-CG 4.3Å; F277-F630 HydrophobicContact CZ-CB 4.28Å; F277-N631 PolarHBondContact N-OD1 3.03Å; F277-N631 PolarHBondContact O-ND2 3.11Å; F277-N631 PolarHBondContact O-OD1 3.46Å; F277-F635 HydrophobicContact CE2-CB 4.02Å; F277-F635 AromaticContact CE2-CD2 3.45Å; F277-F635 HydrophobicContact CE2-CD2 3.45Å; F277-F635 VanDerWaalsContact CE2-CD2 3.45Å; F277-F635 HydrophobicContact CE2-CE2 4.18Å; F277-F635 HydrophobicContact CE2-CG 4.01Å; F277-F635 HydrophobicContact CZ-CB 4.09Å; F277-F635 AromaticContact CZ-CD2 3.49Å; F277-F635 HydrophobicContact CZ-CD2 3.49Å; F277-F635 VanDerWaalsContact CZ-CD2 3.49Å; F277-F635 AromaticContact CZ-CE2 3.99Å; F277-F635 HydrophobicContact CZ-CE2 3.99Å; F277-F635 AromaticContact CZ-CG 3.85Å; F277-F635 HydrophobicContact CZ-CG 3.85Å
278	V	94.2	Very high	87.1	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.244	C	C	.	.			trans	-130.4	153.2	-175	-74.7	0	0	0	0	112.9	L260 R276 Q282 V284 R313 S314	L260-V278 HydrophobicContact CD1-CG1 4.35Å; R276-V278 HydrophobicContact CG-CG1 4.5Å; V278-Q282 HydrophobicContact CB-CB 3.86Å; V278-Q282 HydrophobicContact CG1-CB 3.7Å; V278-V284 HydrophobicContact CG1-CG1 3.75Å; V278-V284 HydrophobicContact CG2-CG1 4.16Å; V278-V284 HydrophobicContact CG2-CG2 3.89Å; V278-R313 HydrophobicContact CG2-CB 4.35Å; V278-S314 PolarHBondContact N-OG 2.88Å; V278-S314 VanDerWaalsContact N-OG 3.11Å
279	D	92.2	Very high	87	Confident	16 Å²	16	47.7 Å²	47.7	9%	0.086	27%	0.265	C	S	.	.			trans	-100.9	-168.3	176.3	67.8	48.3	0	0	0	112.5	K281 Q282 R313 T623 K627	D279-K281 PolarHBondContact O-N 2.89Å; D279-K281 VanDerWaalsContact O-N 3.11Å; D279-K281 WeakPolarHBondContact OD1-CB 3.38Å; D279-K281 PolarHBondContact OD1-N 2.65Å; D279-Q282 PolarHBondContact O-N 3.33Å; D279-Q282 VanDerWaalsContact O-O 3.11Å; D279-R313 VanDerWaalsContact O-CZ 3.26Å; D279-R313 PolarHBondContact O-NE 2.9Å; D279-R313 PolarHBondContact O-NH2 3.09Å; D279-T623 HydrophobicContact CB-CG2 3.65Å; D279-K627 HydrophobicContact CB-CD 4Å; D279-K627 WeakPolarHBondContact OD2-CD 3.41Å; D279-K627 VanDerWaalsContact OD2-CE 3.32Å; D279-K627 WeakPolarHBondContact OD2-CE 3.41Å; D279-K627 IonicContact OD2-NZ 3.71Å; D279-K627 PolarHBondContact OD2-NZ 3.23Å
280	G	88.2	Confident	87.2	Confident	50 Å²	50	49.2 Å²	49.2	52%	0.515	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-9.3	-178.5	0	0	0	0	0	116.9	R313	G280-R313 PolarHBondContact O-NH1 3.47Å; G280-R313 PolarHBondContact O-NH2 3.15Å
281	K	87.2	Confident	87.8	Confident	157 Å²	157	46.8 Å²	46.8	68%	0.683	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-9.5	-176.8	-54.8	177.3	-177.2	-179.1	0	113.9	E258 D279	E258-K281 PolarHBondContact N-O 3.1Å; D279-K281 PolarHBondContact O-N 2.89Å; D279-K281 VanDerWaalsContact O-N 3.11Å; D279-K281 WeakPolarHBondContact OD1-CB 3.38Å; D279-K281 PolarHBondContact OD1-N 2.65Å
282	Q	88.6	Confident	88.3	Confident	30 Å²	30	49 Å²	49	14%	0.14	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	146.2	-169	-63.1	176.9	-50	0	0	110	E258 L260 V278 D279 R313	E258-Q282 HydrophobicContact CB-CG 4.28Å; E258-Q282 CarbonylContact O-C 3.49Å; E258-Q282 WeakPolarHBondContact O-CA 3.17Å; E258-Q282 PolarHBondContact OE2-NE2 3.44Å; L260-Q282 HydrophobicContact CD1-CB 4.42Å; L260-Q282 HydrophobicContact CD1-CG 4.38Å; V278-Q282 HydrophobicContact CB-CB 3.86Å; V278-Q282 HydrophobicContact CG1-CB 3.7Å; D279-Q282 PolarHBondContact O-N 3.33Å; D279-Q282 VanDerWaalsContact O-O 3.11Å; Q282-R313 PolarHBondContact O-NH2 3.5Å
283	T	89.1	Confident	88.7	Confident	39 Å²	39	51.3 Å²	51.3	24%	0.239	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	156.3	177.3	60.5	0	0	0	0	111.5	E257 E258 L260	E257-T283 HydrophobicContact CB-CG2 4.05Å; E257-T283 HydrophobicContact CG-CG2 4.45Å; E257-T283 WeakPolarHBondContact OE2-CG2 3.21Å; E258-T283 PolarHBondContact O-N 2.69Å; L260-T283 PolarHBondContact N-O 3.43Å
284	V	89.1	Confident	88.9	Confident	17 Å²	17	50.1 Å²	50.1	10%	0.103	26%	0.256	C	S	.	.			trans	-131.6	136.1	171.3	-72.3	0	0	0	0	110	L260 P262 V278 N315	L260-V284 HydrophobicContact CB-CG1 4.37Å; P262-V284 HydrophobicContact CB-CB 4.29Å; V278-V284 HydrophobicContact CG1-CG1 3.75Å; V278-V284 HydrophobicContact CG2-CG1 4.16Å; V278-V284 HydrophobicContact CG2-CG2 3.89Å; V284-N315 PolarHBondContact O-ND2 3.04Å
285	P	88.5	Confident	89	Confident	64 Å²	64	49.7 Å²	49.7	42%	0.416	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-67.3	151.9	178.3	29.7	-34.8	0	0	0	110.7	L260 P262 F287	L260-P285 WeakPolarHBondContact O-CD 3.46Å; P262-P285 HydrophobicContact CB-CG 4.46Å; P262-P285 HydrophobicContact CG-CG 4.16Å; P285-F287 PolarHBondContact O-N 3.37Å
286	K	88.3	Confident	89	Confident	143 Å²	143	50.7 Å²	50.7	62%	0.622	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-67.4	128.6	177.7	-74.2	154.6	-176	165	0	109.5	N315	K286-N315 VanDerWaalsContact CG-OD1 3.24Å; K286-N315 WeakPolarHBondContact CG-OD1 3.37Å
287	F	85.4	Confident	89.1	Confident	19 Å²	19	50 Å²	50	8%	0.083	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-56.7	151.9	170.8	-78.6	-95.4	0	0	0	111.8	P262 V263 L275 P285 R292 L295 L645	P262-F287 HydrophobicContact CB-CD2 4.06Å; P262-F287 HydrophobicContact CB-CE1 4.46Å; P262-F287 HydrophobicContact CB-CE2 3.61Å; P262-F287 HydrophobicContact CB-CZ 3.82Å; P262-F287 HydrophobicContact CG-CE1 4.35Å; P262-F287 HydrophobicContact CG-CE2 4.32Å; P262-F287 HydrophobicContact CG-CZ 4.18Å; P262-F287 WeakPolarHBondContact O-CZ 3.49Å; V263-F287 HydrophobicContact CG1-CE1 3.91Å; V263-F287 HydrophobicContact CG1-CZ 3.72Å; L275-F287 HydrophobicContact CD2-CE1 4.33Å; L275-F287 HydrophobicContact CD2-CE2 3.99Å; L275-F287 HydrophobicContact CD2-CZ 3.49Å; L275-F287 VanDerWaalsContact CD2-CZ 3.49Å; P285-F287 PolarHBondContact O-N 3.37Å; F287-R292 HydrophobicContact CB-CB 4.25Å; F287-L295 HydrophobicContact CD2-CD1 3.67Å; F287-L295 HydrophobicContact CE2-CD1 4.09Å; F287-L295 HydrophobicContact CE2-CD2 4.35Å; F287-L295 HydrophobicContact CG-CD1 4.47Å; F287-L645 HydrophobicContact CE1-CD2 4.18Å
288	P	86	Confident	89.1	Confident	77 Å²	77	54.7 Å²	54.7	50%	0.5	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-51.3	146.5	166.1	-26.1	33.5	0	0	0	112.4	P290 Y291 R292	P288-P290 VanDerWaalsContact C-CD 3.5Å; P288-Y291 HydrophobicContact CB-CD2 3.93Å; P288-Y291 HydrophobicContact CB-CE2 4.16Å; P288-Y291 HydrophobicContact CG-CD2 4.14Å; P288-Y291 HydrophobicContact CG-CE2 4.28Å; P288-Y291 PolarHBondContact O-N 3.38Å; P288-Y291 VanDerWaalsContact O-N 3.09Å; P288-R292 PolarHBondContact O-N 3.28Å
289	K	84.4	Confident	88.8	Confident	109 Å²	109	56.7 Å²	56.7	47%	0.474	29%	0.287	S	S	.	.	H	α-helix	trans	-40.6	-53.9	-172.6	-62.2	-175.3	-174.3	-177.5	0	115.3	E236 Y291 R292 Y293	E236-K289 WeakPolarHBondContact OE1-CE 3.39Å; E236-K289 IonicContact OE1-NZ 2.88Å; E236-K289 PolarHBondContact OE1-NZ 2.84Å; E236-K289 IonicContact OE2-NZ 3.44Å; E236-K289 PolarHBondContact OE2-NZ 2.81Å; K289-Y291 VanDerWaalsContact C-N 3.32Å; K289-Y291 PolarHBondContact O-N 3.08Å; K289-R292 PolarHBondContact O-N 3.21Å; K289-Y293 HydrophobicContact CB-CE2 4.11Å; K289-Y293 WeakPolarHBondContact O-CD2 3.36Å; K289-Y293 PolarHBondContact O-N 3.06Å
290	P	84	Confident	88.8	Confident	69 Å²	69	56.9 Å²	56.9	45%	0.448	29%	0.289	S	S	.	.	H	α-helix	trans	-58.5	-39.7	-176.3	22	-34.3	0	0	0	113.7	P288	P288-P290 VanDerWaalsContact C-CD 3.5Å
291	Y	85	Confident	88.8	Confident	21 Å²	21	59.6 Å²	59.6	8%	0.082	31%	0.306	C	S	.	.	H	α-helix	trans	-79	-34.9	179	-43.1	-62.1	0	0	0	111.8	P288 K289 Y293 Q294 L637 Y641 S644 L645	P288-Y291 HydrophobicContact CB-CD2 3.93Å; P288-Y291 HydrophobicContact CB-CE2 4.16Å; P288-Y291 HydrophobicContact CG-CD2 4.14Å; P288-Y291 HydrophobicContact CG-CE2 4.28Å; P288-Y291 PolarHBondContact O-N 3.38Å; P288-Y291 VanDerWaalsContact O-N 3.09Å; K289-Y291 VanDerWaalsContact C-N 3.32Å; K289-Y291 PolarHBondContact O-N 3.08Å; Y291-Y293 PolarHBondContact O-N 3.35Å; Y291-Q294 WeakPolarHBondContact O-CB 3.28Å; Y291-Q294 PolarHBondContact O-N 3.19Å; Y291-L637 HydrophobicContact CD1-CD1 4.25Å; Y291-L637 HydrophobicContact CG-CD1 4.47Å; Y291-Y641 AromaticContact CD1-CD1 3.82Å; Y291-Y641 HydrophobicContact CD1-CD1 3.82Å; Y291-Y641 HydrophobicContact CD1-CG 4.44Å; Y291-Y641 HydrophobicContact CE1-CD1 4.16Å; Y291-S644 WeakPolarHBondContact CE1-OG 3.39Å; Y291-S644 VanDerWaalsContact OH-CB 3.27Å; Y291-S644 WeakPolarHBondContact OH-CB 3.44Å; Y291-S644 PolarHBondContact OH-OG 3.05Å; Y291-S644 VanDerWaalsContact OH-OG 3.07Å; Y291-L645 HydrophobicContact CD1-CD1 3.46Å; Y291-L645 VanDerWaalsContact CD1-CD1 3.46Å; Y291-L645 HydrophobicContact CD2-CD1 4.19Å; Y291-L645 HydrophobicContact CD2-CG 4.48Å; Y291-L645 HydrophobicContact CE1-CD1 3.28Å; Y291-L645 HydrophobicContact CE1-CG 4.19Å; Y291-L645 HydrophobicContact CE2-CD1 4.04Å; Y291-L645 HydrophobicContact CE2-CG 4.14Å; Y291-L645 HydrophobicContact CG-CD1 3.91Å
292	R	87.7	Confident	89	Confident	79 Å²	79	56.4 Å²	56.4	30%	0.298	30%	0.296	S	S	.	.	H	α-helix	trans	-60.5	-30.8	178.1	-168.9	176.5	178.5	-150.7	-4.7	112.6	F287 P288 K289 Q294	F287-R292 HydrophobicContact CB-CB 4.25Å; P288-R292 PolarHBondContact O-N 3.28Å; K289-R292 PolarHBondContact O-N 3.21Å; R292-Q294 VanDerWaalsContact C-N 3.28Å; R292-Q294 PolarHBondContact O-N 3.02Å
293	Y	86.7	Confident	89.2	Confident	104 Å²	104	55.4 Å²	55.4	41%	0.408	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-17.1	173.6	-64	-52.3	0	0	0	114.2	K289 Y291 L296	K289-Y293 HydrophobicContact CB-CE2 4.11Å; K289-Y293 WeakPolarHBondContact O-CD2 3.36Å; K289-Y293 PolarHBondContact O-N 3.06Å; Y291-Y293 PolarHBondContact O-N 3.35Å; Y293-L296 WeakPolarHBondContact O-CG 3.47Å
294	Q	88.7	Confident	89.5	Confident	29 Å²	29	54.5 Å²	54.5	14%	0.136	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-8	177.6	-56.8	-54.3	-31	0	0	113.9	Y291 R292 L296 I326 L637 P638 Y641	Y291-Q294 WeakPolarHBondContact O-CB 3.28Å; Y291-Q294 PolarHBondContact O-N 3.19Å; R292-Q294 VanDerWaalsContact C-N 3.28Å; R292-Q294 PolarHBondContact O-N 3.02Å; Q294-L296 PolarHBondContact O-N 2.94Å; Q294-I326 WeakPolarHBondContact O-CD1 3.42Å; Q294-L637 HydrophobicContact CB-CD2 4.25Å; Q294-P638 HydrophobicContact CB-CG 4.41Å; Q294-Y641 HydrophobicContact CG-CD1 4.07Å; Q294-Y641 HydrophobicContact CG-CD2 3.94Å; Q294-Y641 HydrophobicContact CG-CE1 3.85Å; Q294-Y641 HydrophobicContact CG-CE2 3.75Å; Q294-Y641 HydrophobicContact CG-CG 4.12Å; Q294-Y641 VanDerWaalsContact NE2-CZ 3.28Å; Q294-Y641 PolarHBondContact NE2-OH 2.87Å
295	L	92.5	Very high	89.7	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	31%	0.307	C	S	.	.			trans	-74.7	57.7	176.9	-60.3	179.3	0	0	0	111.9	L275 F287 N315 F316 R317 L637	L275-L295 HydrophobicContact CD1-CD2 3.79Å; L275-L295 HydrophobicContact CD2-CD2 3.95Å; F287-L295 HydrophobicContact CD2-CD1 3.67Å; F287-L295 HydrophobicContact CE2-CD1 4.09Å; F287-L295 HydrophobicContact CE2-CD2 4.35Å; F287-L295 HydrophobicContact CG-CD1 4.47Å; L295-N315 HydrophobicContact CD1-CB 4.12Å; L295-F316 HydrophobicContact CB-CD1 4.23Å; L295-F316 HydrophobicContact CB-CG 4.44Å; L295-F316 HydrophobicContact CD2-CZ 4.44Å; L295-F316 CarbonylContact O-C 3.58Å; L295-F316 WeakPolarHBondContact O-CA 3.37Å; L295-R317 PolarHBondContact O-N 2.95Å; L295-L637 HydrophobicContact CD2-CD2 3.95Å
296	L	94	Very high	90	Very high	24 Å²	24	55.3 Å²	55.3	13%	0.126	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	133.3	-173.3	-61.3	-177.1	0	0	0	110.9	Y293 Q294 R317 T319 W325 I326	Y293-L296 WeakPolarHBondContact O-CG 3.47Å; Q294-L296 PolarHBondContact O-N 2.94Å; L296-R317 CarbonylContact C-O 3.58Å; L296-R317 WeakPolarHBondContact CA-O 3.4Å; L296-R317 HydrophobicContact CD2-CB 4.28Å; L296-T319 HydrophobicContact CB-CG2 4Å; L296-T319 HydrophobicContact CD1-CG2 4.46Å; L296-W325 HydrophobicContact CB-CB 4.46Å; L296-W325 CarbonylContact O-C 3.57Å; L296-W325 WeakPolarHBondContact O-CA 3.46Å; L296-I326 PolarHBondContact O-N 3.3Å
297	W	95.7	Very high	90.4	Very high	3 Å²	3	48.5 Å²	48.5	1%	0.011	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	138.3	178.6	-166.8	-90.6	0	0	0	111.2	L311 F316 R317 I318 T319 F630 F635	W297-L311 HydrophobicContact CD2-CD1 3.7Å; W297-L311 HydrophobicContact CD2-CD2 3.6Å; W297-L311 HydrophobicContact CD2-CG 4.32Å; W297-L311 HydrophobicContact CE3-CD1 4.39Å; W297-L311 HydrophobicContact CE3-CD2 3.42Å; W297-L311 VanDerWaalsContact CE3-CD2 3.42Å; W297-L311 HydrophobicContact CG-CD1 3.77Å; W297-L311 HydrophobicContact CG-CD2 4.18Å; W297-L311 HydrophobicContact CH2-CD2 4.02Å; W297-L311 HydrophobicContact CZ2-CD1 4.03Å; W297-L311 HydrophobicContact CZ2-CD2 4.19Å; W297-L311 HydrophobicContact CZ3-CD2 3.64Å; W297-F316 HydrophobicContact CB-CD1 4.31Å; W297-F316 HydrophobicContact CE3-CD1 4.06Å; W297-F316 HydrophobicContact CE3-CE1 4.1Å; W297-R317 PolarHBondContact N-O 3.31Å; W297-I318 CarbonylContact O-C 3.08Å; W297-I318 WeakPolarHBondContact O-CA 3.41Å; W297-T319 PolarHBondContact O-N 2.97Å; W297-F630 AromaticContact CH2-CE1 3.99Å; W297-F630 HydrophobicContact CH2-CE1 3.99Å; W297-F630 AromaticContact CH2-CZ 3.9Å; W297-F630 HydrophobicContact CH2-CZ 3.9Å; W297-F630 HydrophobicContact CZ2-CZ 4.15Å; W297-F635 HydrophobicContact CH2-CE1 4.03Å; W297-F635 AromaticContact CH2-CZ 3.82Å; W297-F635 HydrophobicContact CH2-CZ 3.82Å; W297-F635 HydrophobicContact CZ3-CD1 4.45Å; W297-F635 AromaticContact CZ3-CE1 3.78Å; W297-F635 HydrophobicContact CZ3-CE1 3.78Å; W297-F635 AromaticContact CZ3-CZ 3.93Å; W297-F635 HydrophobicContact CZ3-CZ 3.93Å
298	R	94.4	Very high	90.9	Very high	98 Å²	98	51 Å²	51	37%	0.37	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	123.5	179.1	-174.9	178.8	-178.5	169.3	4.1	110.7	W325 G327 Y328	R298-W325 HydrophobicContact CB-CB 4.05Å; R298-W325 HydrophobicContact CB-CD2 3.7Å; R298-W325 HydrophobicContact CB-CE3 3.98Å; R298-W325 HydrophobicContact CB-CG 3.7Å; R298-W325 HydrophobicContact CG-CD2 4.43Å; R298-W325 HydrophobicContact CG-CG 4.46Å; R298-G327 PolarHBondContact N-O 3.05Å; R298-Y328 HydrophobicContact CB-CD2 4.01Å; R298-Y328 HydrophobicContact CG-CD2 3.84Å
299	P	89.4	Confident	91.3	Very high	42 Å²	42	52.2 Å²	52.2	27%	0.273	26%	0.263	S	S	.	.			trans	-69.4	155.8	-180	26.3	-31	0	0	0	112.7	I318 T319 L320	P299-I318 HydrophobicContact CB-CG2 3.67Å; P299-I318 HydrophobicContact CG-CG2 3.74Å; P299-T319 WeakPolarHBondContact CD-O 3.39Å; P299-L320 HydrophobicContact CG-CD2 3.55Å; P299-L320 HydrophobicContact CG-CG 4.18Å
300	S	91.6	Very high	91.8	Very high	20 Å²	20	47.1 Å²	47.1	14%	0.14	24%	0.241	C	C	.	.			trans	-141.2	141.9	162.2	-154.5	0	0	0	0	108.3	I302 T303	S300-I302 PolarHBondContact O-N 3.5Å; S300-I302 VanDerWaalsContact O-N 3.15Å; S300-T303 VanDerWaalsContact CB-OG1 3.31Å; S300-T303 WeakPolarHBondContact CB-OG1 3.35Å; S300-T303 PolarHBondContact N-OG1 3.25Å; S300-T303 WeakPolarHBondContact O-CB 3.39Å; S300-T303 PolarHBondContact O-N 2.79Å; S300-T303 PolarHBondContact O-OG1 2.95Å; S300-T303 VanDerWaalsContact O-OG1 3.04Å
301	A	88.9	Confident	92.4	Very high	106 Å²	106	44.2 Å²	44.2	88%	0.876	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-27.9	177.1	0	0	0	0	0	112.4
302	I	90.4	Very high	92.8	Very high	90 Å²	90	49.9 Å²	49.9	46%	0.462	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	10.6	178	71.7	153.5	0	0	0	114.2	S300 P304 N331	S300-I302 PolarHBondContact O-N 3.5Å; S300-I302 VanDerWaalsContact O-N 3.15Å; I302-P304 VanDerWaalsContact O-CD 3.25Å; I302-P304 WeakPolarHBondContact O-CD 3.36Å; I302-N331 VanDerWaalsContact CD1-OD1 3.3Å; I302-N331 WeakPolarHBondContact CD1-OD1 3.38Å
303	T	93.2	Very high	93	Very high	10 Å²	10	50.3 Å²	50.3	6%	0.061	25%	0.248	C	C	.	.			trans	-66.8	117.8	176.5	-58.1	0	0	0	0	109.6	S300 V307 K308 Y329	S300-T303 VanDerWaalsContact CB-OG1 3.31Å; S300-T303 WeakPolarHBondContact CB-OG1 3.35Å; S300-T303 PolarHBondContact N-OG1 3.25Å; S300-T303 WeakPolarHBondContact O-CB 3.39Å; S300-T303 PolarHBondContact O-N 2.79Å; S300-T303 PolarHBondContact O-OG1 2.95Å; S300-T303 VanDerWaalsContact O-OG1 3.04Å; T303-V307 HydrophobicContact CG2-CB 3.94Å; T303-V307 HydrophobicContact CG2-CG1 3.56Å; T303-K308 HydrophobicContact CG2-CG 4.3Å; T303-K308 VanDerWaalsContact O-CE 3.3Å; T303-K308 WeakPolarHBondContact O-CE 3.42Å; T303-Y329 PolarHBondContact OG1-O 2.89Å
304	P	94.4	Very high	93.4	Very high	19 Å²	19	45.5 Å²	45.5	12%	0.123	23%	0.23	C	C	.	.			trans	-63.2	148.5	-174.7	-24.7	35.7	0	0	0	113.5	I302 V306 V307 K308 Y329 L611	I302-P304 VanDerWaalsContact O-CD 3.25Å; I302-P304 WeakPolarHBondContact O-CD 3.36Å; P304-V306 HydrophobicContact CB-CG1 3.98Å; P304-V306 PolarHBondContact O-N 3.34Å; P304-V307 HydrophobicContact CB-CG2 4.42Å; P304-V307 HydrophobicContact CG-CG2 4.42Å; P304-V307 WeakPolarHBondContact O-CA 3.24Å; P304-V307 WeakPolarHBondContact O-CB 3.47Å; P304-V307 PolarHBondContact O-N 3.3Å; P304-K308 PolarHBondContact O-N 2.76Å; P304-Y329 HydrophobicContact CG-CE1 4.15Å; P304-L611 HydrophobicContact CB-CB 3.94Å; P304-L611 HydrophobicContact CG-CB 3.91Å; P304-L611 HydrophobicContact CG-CD1 4.29Å
305	N	94.2	Very high	93.6	Very high	99 Å²	99	45.6 Å²	45.6	53%	0.529	23%	0.231	S	C	.	.	H	α-helix	trans	-61.7	-29.4	-179.1	-71.8	-3.6	0	0	0	113.1	K308 R309	N305-K308 PolarHBondContact O-N 3.16Å; N305-K308 WeakPolarHBondContact OD1-CE 3.49Å; N305-K308 PolarHBondContact OD1-NZ 3.04Å; N305-R309 WeakPolarHBondContact O-CG 3.14Å; N305-R309 PolarHBondContact O-N 2.95Å
306	V	95.5	Very high	93.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.5	-40.4	170	60.6	0	0	0	0	112.8	P304 R309 I310 L611 T613 T623 V626	P304-V306 HydrophobicContact CB-CG1 3.98Å; P304-V306 PolarHBondContact O-N 3.34Å; V306-R309 PolarHBondContact O-N 3.45Å; V306-I310 HydrophobicContact CG2-CD1 4.04Å; V306-I310 WeakPolarHBondContact O-CG1 3.47Å; V306-I310 PolarHBondContact O-N 2.65Å; V306-I310 VanDerWaalsContact O-N 3.12Å; V306-L611 HydrophobicContact CG1-CB 3.96Å; V306-L611 VanDerWaalsContact CG1-O 3.28Å; V306-L611 WeakPolarHBondContact CG1-O 3.27Å; V306-T613 HydrophobicContact CB-CG2 4.05Å; V306-T613 HydrophobicContact CG1-CG2 4.43Å; V306-T623 HydrophobicContact CG2-CG2 4.28Å; V306-T623 WeakPolarHBondContact CG2-OG1 3.25Å; V306-V626 HydrophobicContact CG1-CG2 4.29Å; V306-V626 HydrophobicContact CG2-CB 4.46Å; V306-V626 HydrophobicContact CG2-CG2 4.49Å
307	V	96	Very high	93.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.5	-45.3	173.6	171	0	0	0	0	110.1	T303 P304 R309 I310 L311 Y329 V626 F630	T303-V307 HydrophobicContact CG2-CB 3.94Å; T303-V307 HydrophobicContact CG2-CG1 3.56Å; P304-V307 HydrophobicContact CB-CG2 4.42Å; P304-V307 HydrophobicContact CG-CG2 4.42Å; P304-V307 WeakPolarHBondContact O-CA 3.24Å; P304-V307 WeakPolarHBondContact O-CB 3.47Å; P304-V307 PolarHBondContact O-N 3.3Å; V307-R309 PolarHBondContact O-N 2.92Å; V307-I310 PolarHBondContact O-N 2.54Å; V307-L311 HydrophobicContact CG1-CD1 3.65Å; V307-L311 HydrophobicContact CG1-CG 4.27Å; V307-L311 WeakPolarHBondContact O-CB 3.14Å; V307-L311 VanDerWaalsContact O-CG 3.23Å; V307-L311 WeakPolarHBondContact O-CG 3.32Å; V307-L311 PolarHBondContact O-N 2.93Å; V307-Y329 HydrophobicContact CG2-CD1 4.23Å; V307-Y329 HydrophobicContact CG2-CE1 4.38Å; V307-Y329 HydrophobicContact CG2-CG 4.38Å; V307-V626 HydrophobicContact CG2-CG1 3.78Å; V307-F630 HydrophobicContact CG1-CE2 4.05Å; V307-F630 HydrophobicContact CG1-CZ 3.79Å; V307-F630 HydrophobicContact CG2-CZ 4.18Å
308	K	95.2	Very high	93.3	Very high	71 Å²	71	55.8 Å²	55.8	31%	0.309	28%	0.276	S	S	.	.	H	α-helix	trans	-57.6	-45.8	176.5	-61	178.8	-170.8	162.2	0	112.2	L225 T303 P304 N305 L311 K312	L225-K308 HydrophobicContact CD1-CD 4.05Å; T303-K308 HydrophobicContact CG2-CG 4.3Å; T303-K308 VanDerWaalsContact O-CE 3.3Å; T303-K308 WeakPolarHBondContact O-CE 3.42Å; P304-K308 PolarHBondContact O-N 2.76Å; N305-K308 PolarHBondContact O-N 3.16Å; N305-K308 WeakPolarHBondContact OD1-CE 3.49Å; N305-K308 PolarHBondContact OD1-NZ 3.04Å; K308-L311 PolarHBondContact O-N 3.11Å; K308-K312 PolarHBondContact O-N 2.95Å
309	R	94.9	Very high	93	Very high	102 Å²	102	52.2 Å²	52.2	39%	0.385	27%	0.265	S	S	.	.	H	α-helix	trans	-60.1	-49.3	177.7	-75.3	-175.6	-58	161	8.7	112	N305 V306 V307 L311 K312 R313 D619 T623	N305-R309 WeakPolarHBondContact O-CG 3.14Å; N305-R309 PolarHBondContact O-N 2.95Å; V306-R309 PolarHBondContact O-N 3.45Å; V307-R309 PolarHBondContact O-N 2.92Å; R309-L311 VanDerWaalsContact C-N 3.34Å; R309-L311 PolarHBondContact O-N 2.97Å; R309-K312 PolarHBondContact O-N 2.77Å; R309-R313 PolarHBondContact O-N 3.13Å; R309-D619 IonicContact CZ-OD1 3.58Å; R309-D619 IonicContact CZ-OD2 2.7Å; R309-D619 IonicContact NH1-OD1 3.64Å; R309-D619 PolarHBondContact NH1-OD1 2.89Å; R309-D619 IonicContact NH1-OD2 2.96Å; R309-D619 PolarHBondContact NH1-OD2 3.04Å; R309-D619 IonicContact NH2-OD1 3.28Å; R309-D619 PolarHBondContact NH2-OD1 3.1Å; R309-D619 IonicContact NH2-OD2 2.66Å; R309-T623 PolarHBondContact NH2-OG1 3.26Å; R309-T623 VanDerWaalsContact NH2-OG1 3.13Å
310	I	96	Very high	92.7	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-62.5	-41.5	179.6	-70.9	165.1	0	0	0	110.7	F277 V306 V307 R313 S314 T623 V626 K627 F630	F277-I310 HydrophobicContact CB-CG2 4.08Å; F277-I310 HydrophobicContact CD1-CG2 4.23Å; V306-I310 HydrophobicContact CG2-CD1 4.04Å; V306-I310 WeakPolarHBondContact O-CG1 3.47Å; V306-I310 PolarHBondContact O-N 2.65Å; V306-I310 VanDerWaalsContact O-N 3.12Å; V307-I310 PolarHBondContact O-N 2.54Å; I310-R313 PolarHBondContact O-N 2.8Å; I310-S314 WeakPolarHBondContact O-CB 3.29Å; I310-S314 PolarHBondContact O-N 3.2Å; I310-S314 PolarHBondContact O-OG 3.08Å; I310-T623 HydrophobicContact CD1-CG2 4.08Å; I310-T623 HydrophobicContact CG1-CG2 4.35Å; I310-V626 HydrophobicContact CD1-CB 3.76Å; I310-V626 HydrophobicContact CD1-CG1 3.55Å; I310-K627 HydrophobicContact CD1-CB 4.34Å; I310-F630 HydrophobicContact CG2-CD2 4.01Å; I310-F630 HydrophobicContact CG2-CE2 4.37Å
311	L	95.3	Very high	92.1	Very high	9 Å²	9	60.7 Å²	60.7	5%	0.047	30%	0.3	C	S	.	.	H	α-helix	trans	-62.1	-46.1	175.4	-70	168.1	0	0	0	112.4	F277 W297 V307 K308 R309 S314 N315 F316	F277-L311 HydrophobicContact CE1-CD2 4.07Å; W297-L311 HydrophobicContact CD2-CD1 3.7Å; W297-L311 HydrophobicContact CD2-CD2 3.6Å; W297-L311 HydrophobicContact CD2-CG 4.32Å; W297-L311 HydrophobicContact CE3-CD1 4.39Å; W297-L311 HydrophobicContact CE3-CD2 3.42Å; W297-L311 VanDerWaalsContact CE3-CD2 3.42Å; W297-L311 HydrophobicContact CG-CD1 3.77Å; W297-L311 HydrophobicContact CG-CD2 4.18Å; W297-L311 HydrophobicContact CH2-CD2 4.02Å; W297-L311 HydrophobicContact CZ2-CD1 4.03Å; W297-L311 HydrophobicContact CZ2-CD2 4.19Å; W297-L311 HydrophobicContact CZ3-CD2 3.64Å; V307-L311 HydrophobicContact CG1-CD1 3.65Å; V307-L311 HydrophobicContact CG1-CG 4.27Å; V307-L311 WeakPolarHBondContact O-CB 3.14Å; V307-L311 VanDerWaalsContact O-CG 3.23Å; V307-L311 WeakPolarHBondContact O-CG 3.32Å; V307-L311 PolarHBondContact O-N 2.93Å; K308-L311 PolarHBondContact O-N 3.11Å; R309-L311 VanDerWaalsContact C-N 3.34Å; R309-L311 PolarHBondContact O-N 2.97Å; L311-S314 CarbonylContact O-C 3.51Å; L311-S314 PolarHBondContact O-N 2.84Å; L311-N315 PolarHBondContact O-N 3.05Å; L311-F316 HydrophobicContact CB-CB 4.13Å; L311-F316 HydrophobicContact CD2-CB 4.02Å; L311-F316 HydrophobicContact CD2-CD1 4.4Å; L311-F316 HydrophobicContact CD2-CD2 4.04Å; L311-F316 HydrophobicContact CD2-CG 3.91Å; L311-F316 PolarHBondContact O-N 3.01Å
312	K	93.5	Very high	91.7	Very high	140 Å²	140	57.4 Å²	57.4	61%	0.609	27%	0.271	S	S	*	.	H	α-helix	trans	-62.2	-45.1	177.9	-171.7	168.4	-179.5	170	0	111.6	K308 R309 S314 N315	K308-K312 PolarHBondContact O-N 2.95Å; R309-K312 PolarHBondContact O-N 2.77Å; K312-S314 VanDerWaalsContact C-N 3.3Å; K312-S314 PolarHBondContact O-N 3.08Å; K312-N315 PolarHBondContact O-N 3.06Å
313	R	93.4	Very high	91.4	Very high	87 Å²	87	55.8 Å²	55.8	33%	0.328	26%	0.264	S	S	.	.	H	α-helix	trans	-67	-28.3	174.9	-72.4	-172.3	64.6	111.9	-3.3	113.1	E257 V278 D279 G280 Q282 R309 I310 N315	E257-R313 IonicContact OE1-CZ 2.87Å; E257-R313 IonicContact OE1-NH1 2.67Å; E257-R313 PolarHBondContact OE1-NH1 2.83Å; E257-R313 IonicContact OE1-NH2 3.12Å; E257-R313 PolarHBondContact OE1-NH2 3.14Å; V278-R313 HydrophobicContact CG2-CB 4.35Å; D279-R313 VanDerWaalsContact O-CZ 3.26Å; D279-R313 PolarHBondContact O-NE 2.9Å; D279-R313 PolarHBondContact O-NH2 3.09Å; G280-R313 PolarHBondContact O-NH1 3.47Å; G280-R313 PolarHBondContact O-NH2 3.15Å; Q282-R313 PolarHBondContact O-NH2 3.5Å; R309-R313 PolarHBondContact O-N 3.13Å; I310-R313 PolarHBondContact O-N 2.8Å; R313-N315 VanDerWaalsContact C-N 3.27Å; R313-N315 PolarHBondContact O-N 2.89Å
314	S	94.4	Very high	91.1	Very high	4 Å²	4	58 Å²	58	3%	0.028	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	20.5	176.4	-46.5	0	0	0	0	113.5	F277 V278 I310 L311 K312 F316	F277-S314 WeakPolarHBondContact CA-OG 3.36Å; V278-S314 PolarHBondContact N-OG 2.88Å; V278-S314 VanDerWaalsContact N-OG 3.11Å; I310-S314 WeakPolarHBondContact O-CB 3.29Å; I310-S314 PolarHBondContact O-N 3.2Å; I310-S314 PolarHBondContact O-OG 3.08Å; L311-S314 CarbonylContact O-C 3.51Å; L311-S314 PolarHBondContact O-N 2.84Å; K312-S314 VanDerWaalsContact C-N 3.3Å; K312-S314 PolarHBondContact O-N 3.08Å; S314-F316 VanDerWaalsContact C-N 3.25Å; S314-F316 WeakPolarHBondContact O-CD2 3.48Å; S314-F316 PolarHBondContact O-N 3.07Å
315	N	93.5	Very high	91.1	Very high	30 Å²	30	57.3 Å²	57.3	16%	0.16	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	14.9	177.8	-67.8	-74.8	0	0	0	116.9	V284 K286 L295 L311 K312 R313	V284-N315 PolarHBondContact O-ND2 3.04Å; K286-N315 VanDerWaalsContact CG-OD1 3.24Å; K286-N315 WeakPolarHBondContact CG-OD1 3.37Å; L295-N315 HydrophobicContact CD1-CB 4.12Å; L311-N315 PolarHBondContact O-N 3.05Å; K312-N315 PolarHBondContact O-N 3.06Å; R313-N315 VanDerWaalsContact C-N 3.27Å; R313-N315 PolarHBondContact O-N 2.89Å
316	F	94.5	Very high	91.1	Very high	18 Å²	18	52.6 Å²	52.6	8%	0.079	24%	0.243	C	C	.	.			trans	-74.6	144.7	175.6	-80.5	-98.1	0	0	0	112.4	L275 F277 L295 W297 L311 S314 I326	L275-F316 HydrophobicContact CD1-CE1 4.36Å; L275-F316 HydrophobicContact CD1-CE2 4.47Å; L275-F316 HydrophobicContact CD1-CZ 3.66Å; F277-F316 HydrophobicContact CD1-CE2 4.14Å; F277-F316 HydrophobicContact CE1-CD2 4.01Å; F277-F316 AromaticContact CE1-CE2 3.34Å; F277-F316 HydrophobicContact CE1-CE2 3.34Å; F277-F316 AromaticContact CE1-CZ 3.79Å; F277-F316 HydrophobicContact CE1-CZ 3.79Å; F277-F316 AromaticContact CZ-CE2 3.57Å; F277-F316 HydrophobicContact CZ-CE2 3.57Å; F277-F316 AromaticContact CZ-CZ 3.61Å; F277-F316 HydrophobicContact CZ-CZ 3.61Å; L295-F316 HydrophobicContact CB-CD1 4.23Å; L295-F316 HydrophobicContact CB-CG 4.44Å; L295-F316 HydrophobicContact CD2-CZ 4.44Å; L295-F316 CarbonylContact O-C 3.58Å; L295-F316 WeakPolarHBondContact O-CA 3.37Å; W297-F316 HydrophobicContact CB-CD1 4.31Å; W297-F316 HydrophobicContact CE3-CD1 4.06Å; W297-F316 HydrophobicContact CE3-CE1 4.1Å; L311-F316 HydrophobicContact CB-CB 4.13Å; L311-F316 HydrophobicContact CD2-CB 4.02Å; L311-F316 HydrophobicContact CD2-CD1 4.4Å; L311-F316 HydrophobicContact CD2-CD2 4.04Å; L311-F316 HydrophobicContact CD2-CG 3.91Å; L311-F316 PolarHBondContact O-N 3.01Å; S314-F316 VanDerWaalsContact C-N 3.25Å; S314-F316 WeakPolarHBondContact O-CD2 3.48Å; S314-F316 PolarHBondContact O-N 3.07Å; F316-I326 HydrophobicContact CE1-CB 4.36Å; F316-I326 HydrophobicContact CE1-CG2 4.37Å
317	R	91.3	Very high	91.1	Very high	115 Å²	115	52.6 Å²	52.6	43%	0.434	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	138.1	174.2	-70.5	176.6	164.1	-176.2	-6.9	110.6	L295 L296 W297	L295-R317 PolarHBondContact O-N 2.95Å; L296-R317 CarbonylContact C-O 3.58Å; L296-R317 WeakPolarHBondContact CA-O 3.4Å; L296-R317 HydrophobicContact CD2-CB 4.28Å; W297-R317 PolarHBondContact N-O 3.31Å
318	I	90.2	Very high	91	Very high	110 Å²	110	53.2 Å²	53.2	56%	0.564	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	139	174.4	-62	177.7	0	0	0	109.2	W297 P299	W297-I318 CarbonylContact O-C 3.08Å; W297-I318 WeakPolarHBondContact O-CA 3.41Å; P299-I318 HydrophobicContact CB-CG2 3.67Å; P299-I318 HydrophobicContact CG-CG2 3.74Å
319	T	86.9	Confident	91.1	Very high	23 Å²	23	50.7 Å²	50.7	14%	0.141	23%	0.234	C	C	.	.			trans	-131.4	126.5	175.1	-164.7	0	0	0	0	113.2	L296 W297 P299 S322 W325	L296-T319 HydrophobicContact CB-CG2 4Å; L296-T319 HydrophobicContact CD1-CG2 4.46Å; W297-T319 PolarHBondContact O-N 2.97Å; P299-T319 WeakPolarHBondContact CD-O 3.39Å; T319-S322 WeakPolarHBondContact OG1-CB 3.47Å; T319-S322 PolarHBondContact OG1-N 2.92Å; T319-S322 VanDerWaalsContact OG1-N 3.16Å; T319-W325 HydrophobicContact CG2-CB 4.12Å
320	L	82.9	Confident	91	Very high	138 Å²	138	45.9 Å²	45.9	72%	0.723	22%	0.216	S	C	*	.	S	Bend	trans	-93	-19.1	172.3	-71.9	165.6	0	0	0	113	P299	P299-L320 HydrophobicContact CG-CD2 3.55Å; P299-L320 HydrophobicContact CG-CG 4.18Å
321	K	79	Confident	90.8	Very high	101 Å²	101	49.9 Å²	49.9	44%	0.439	24%	0.237	S	C	.	.	S	Bend	trans	-113.3	-28.6	-167	-62.7	176.2	-177.7	172.3	0	113.8
322	S	81.7	Confident	90.6	Very high	37 Å²	37	51.4 Å²	51.4	26%	0.259	24%	0.244	S	C	.	.			trans	-85.6	139.8	179.8	-174.2	0	0	0	0	111.2	T319 E324	T319-S322 WeakPolarHBondContact OG1-CB 3.47Å; T319-S322 PolarHBondContact OG1-N 2.92Å; T319-S322 VanDerWaalsContact OG1-N 3.16Å; S322-E324 VanDerWaalsContact C-N 3.34Å; S322-E324 WeakPolarHBondContact OG-CB 3.39Å; S322-E324 PolarHBondContact OG-N 3.43Å
323	N	84.2	Confident	90.5	Very high	57 Å²	57	46.5 Å²	46.5	31%	0.305	23%	0.225	S	C	.	.	S	Bend	trans	-88.3	-4.5	168.2	-113.8	-0.3	0	0	0	112.5	W325 Q345 I1376	N323-W325 PolarHBondContact O-N 3.45Å; N323-Q345 PolarHBondContact O-NE2 3.11Å; N323-I1376 WeakPolarHBondContact ND2-CG2 3.34Å; N323-I1376 WeakPolarHBondContact OD1-CD1 3.14Å
324	E	86	Confident	90.4	Very high	55 Å²	55	50.5 Å²	50.5	26%	0.257	24%	0.244	S	C	.	.			trans	-86.3	21.5	-176.9	-48.5	-48.7	128	0	0	113.8	S322 R342 Y344	S322-E324 VanDerWaalsContact C-N 3.34Å; S322-E324 WeakPolarHBondContact OG-CB 3.39Å; S322-E324 PolarHBondContact OG-N 3.43Å; E324-R342 VanDerWaalsContact CD-NH1 3.35Å; E324-R342 IonicContact OE1-CZ 3.54Å; E324-R342 IonicContact OE1-NH1 2.67Å; E324-R342 PolarHBondContact OE1-NH1 3.11Å; E324-R342 IonicContact OE1-NH2 3.51Å; E324-R342 PolarHBondContact OE1-NH2 3.28Å; E324-R342 IonicContact OE2-CZ 2.7Å; E324-R342 VanDerWaalsContact OE2-CZ 3.28Å; E324-R342 IonicContact OE2-NH1 3.62Å; E324-R342 PolarHBondContact OE2-NH1 2.68Å; E324-R342 IonicContact OE2-NH2 2.66Å; E324-Y344 WeakPolarHBondContact CA-OH 3.35Å; E324-Y344 PolarHBondContact OE2-OH 3.27Å
325	W	93.6	Very high	90	Very high	5 Å²	5	52.5 Å²	52.5	2%	0.019	26%	0.257	C	S	.	.			trans	-65.3	136.7	178.5	53.2	-90.6	0	0	0	111.2	L296 R298 T319 N323 I341 Q345 I347	L296-W325 HydrophobicContact CB-CB 4.46Å; L296-W325 CarbonylContact O-C 3.57Å; L296-W325 WeakPolarHBondContact O-CA 3.46Å; R298-W325 HydrophobicContact CB-CB 4.05Å; R298-W325 HydrophobicContact CB-CD2 3.7Å; R298-W325 HydrophobicContact CB-CE3 3.98Å; R298-W325 HydrophobicContact CB-CG 3.7Å; R298-W325 HydrophobicContact CG-CD2 4.43Å; R298-W325 HydrophobicContact CG-CG 4.46Å; T319-W325 HydrophobicContact CG2-CB 4.12Å; N323-W325 PolarHBondContact O-N 3.45Å; W325-I341 HydrophobicContact CH2-CD1 3.96Å; W325-I341 HydrophobicContact CH2-CG2 4.16Å; W325-I341 HydrophobicContact CZ2-CD1 3.94Å; W325-Q345 VanDerWaalsContact CE2-NE2 3.31Å; W325-Q345 HydrophobicContact CE3-CB 4.31Å; W325-Q345 HydrophobicContact CH2-CB 4Å; W325-Q345 HydrophobicContact CZ3-CB 3.81Å; W325-Q345 HydrophobicContact CZ3-CG 4.41Å; W325-Q345 VanDerWaalsContact O-CG 3.27Å; W325-Q345 WeakPolarHBondContact O-CG 3.4Å; W325-Q345 PolarHBondContact O-NE2 3.12Å; W325-I347 HydrophobicContact CH2-CD1 4.17Å; W325-I347 HydrophobicContact CH2-CG1 4.2Å; W325-I347 HydrophobicContact CZ3-CG1 4.4Å
326	I	94.4	Very high	89.8	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	-80.5	-34.8	-179.9	-70.9	175.3	0	0	0	111.4	L275 Q294 L296 F316 Y344 Q345 K346 F635 Q636 L637	L275-I326 HydrophobicContact CD1-CD1 3.95Å; L275-I326 HydrophobicContact CD1-CG2 4.34Å; Q294-I326 WeakPolarHBondContact O-CD1 3.42Å; L296-I326 PolarHBondContact O-N 3.3Å; F316-I326 HydrophobicContact CE1-CB 4.36Å; F316-I326 HydrophobicContact CE1-CG2 4.37Å; I326-Y344 HydrophobicContact CG1-CD2 4.48Å; I326-Q345 WeakPolarHBondContact O-CA 3.45Å; I326-K346 PolarHBondContact O-N 2.76Å; I326-F635 HydrophobicContact CG2-CB 4.14Å; I326-F635 HydrophobicContact CG2-CD1 3.82Å; I326-F635 HydrophobicContact CG2-CG 4.45Å; I326-Q636 WeakPolarHBondContact CG2-O 3.23Å; I326-L637 HydrophobicContact CD1-CD2 4.06Å
327	G	95.4	Very high	89.6	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	154.3	-176	0	0	0	0	0	115	R298	R298-G327 PolarHBondContact N-O 3.05Å
328	Y	95.3	Very high	89.7	Confident	14 Å²	14	51.5 Å²	51.5	6%	0.055	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	130.4	173.9	168.4	-98.4	0	0	0	109.1	R298 N331 L333 K346 I347 N348	R298-Y328 HydrophobicContact CB-CD2 4.01Å; R298-Y328 HydrophobicContact CG-CD2 3.84Å; Y328-N331 PolarHBondContact OH-N 3.3Å; Y328-N331 PolarHBondContact OH-O 3.44Å; Y328-L333 HydrophobicContact CE1-CD2 4.44Å; Y328-K346 PolarHBondContact N-O 3.04Å; Y328-K346 VanDerWaalsContact N-O 3.1Å; Y328-I347 HydrophobicContact CD1-CD1 4.35Å; Y328-I347 HydrophobicContact CD1-CG1 4.15Å; Y328-I347 HydrophobicContact CD1-CG2 4.1Å; Y328-N348 PolarHBondContact O-N 3.15Å
329	Y	95.9	Very high	89.7	Confident	18 Å²	18	51.7 Å²	51.7	7%	0.071	26%	0.256	C	S	.	.			trans	-130.4	109.5	171.9	-168.6	-72.3	0	0	0	109.2	T303 P304 V307 N348 L611 M629 F630	T303-Y329 PolarHBondContact OG1-O 2.89Å; P304-Y329 HydrophobicContact CG-CE1 4.15Å; V307-Y329 HydrophobicContact CG2-CD1 4.23Å; V307-Y329 HydrophobicContact CG2-CE1 4.38Å; V307-Y329 HydrophobicContact CG2-CG 4.38Å; Y329-N348 WeakPolarHBondContact CA-OD1 3.44Å; Y329-N348 HydrophobicContact CD2-CB 3.36Å; Y329-N348 HydrophobicContact CE2-CB 3.68Å; Y329-N348 HydrophobicContact CG-CB 3.94Å; Y329-L611 HydrophobicContact CE1-CD1 4.33Å; Y329-L611 VanDerWaalsContact OH-CD1 3.24Å; Y329-L611 WeakPolarHBondContact OH-CD1 3.46Å; Y329-M629 HydrophobicContact CD2-CE 4.35Å; Y329-M629 HydrophobicContact CE2-CE 3.87Å; Y329-F630 HydrophobicContact CD2-CE1 4.1Å; Y329-F630 HydrophobicContact CD2-CZ 4.29Å
330	G	93.3	Very high	89.9	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.01	28%	0.277	C	S	.	.	S	Bend	trans	176	-151.5	-173.4	0	0	0	0	0	113.6	H332 N348 H349	G330-H332 PolarHBondContact O-N 3.49Å; G330-N348 PolarHBondContact N-OD1 3.5Å; G330-N348 PolarHBondContact O-ND2 2.84Å; G330-N348 PolarHBondContact O-OD1 3.04Å; G330-H349 PolarHBondContact O-CD2 2.8Å; G330-H349 PolarHBondContact O-NE2 3.05Å
331	N	91.2	Very high	90.2	Very high	85 Å²	85	48.7 Å²	48.7	46%	0.455	25%	0.245	S	C	.	.	S	Bend	trans	-51.1	129.1	-175.5	-73.3	-52.4	0	0	0	113.5	I302 Y328 L333	I302-N331 VanDerWaalsContact CD1-OD1 3.3Å; I302-N331 WeakPolarHBondContact CD1-OD1 3.38Å; Y328-N331 PolarHBondContact OH-N 3.3Å; Y328-N331 PolarHBondContact OH-O 3.44Å; N331-L333 PolarHBondContact O-N 3.45Å
332	H	91.7	Very high	90.7	Very high	41 Å²	41	48.2 Å²	48.2	19%	0.19	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-56.7	121.3	173.2	-176.3	-42.1	0	0	0	110.9	G330 H349 F350 F354	G330-H332 PolarHBondContact O-N 3.49Å; H332-H349 HydrophobicContact CB-CB 4.39Å; H332-H349 AromaticContact CD2-CG 3.97Å; H332-H349 AromaticContact CD2-ND1 3.96Å; H332-F350 PolarHBondContact CE1-O 2.94Å; H332-F350 PolarHBondContact NE2-O 2.79Å; H332-F354 HydrophobicContact CB-CE2 4.17Å; H332-F354 HydrophobicContact CB-CZ 4.17Å; H332-F354 AromaticContact CD2-CD2 3.85Å; H332-F354 AromaticContact CD2-CE2 3.32Å; H332-F354 WeakPolarHBondContact CD2-CE2 3.46Å; H332-F354 AromaticContact CD2-CZ 3.75Å; H332-F354 AromaticContact CE1-CD2 4Å; H332-F354 AromaticContact CE1-CE2 3.78Å; H332-F354 AromaticContact CG-CE2 3.55Å; H332-F354 AromaticContact CG-CZ 3.98Å; H332-F354 AromaticContact ND1-CE2 3.8Å; H332-F354 AromaticContact NE2-CD2 3.53Å; H332-F354 AromaticContact NE2-CE2 3.45Å; H332-F354 WeakPolarHBondContact NE2-CE2 3.39Å
333	L	92.1	Very high	90.7	Very high	38 Å²	38	47.9 Å²	47.9	20%	0.199	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-74.4	154.5	-177.3	-55.8	-175.2	0	0	0	112.2	Y328 N331 F338 I341 I347	Y328-L333 HydrophobicContact CE1-CD2 4.44Å; N331-L333 PolarHBondContact O-N 3.45Å; L333-F338 HydrophobicContact CB-CD2 4.15Å; L333-F338 HydrophobicContact CB-CE2 3.76Å; L333-F338 HydrophobicContact CB-CZ 3.97Å; L333-F338 WeakPolarHBondContact O-CE2 3.09Å; L333-I341 HydrophobicContact CD1-CD1 4.47Å; L333-I347 HydrophobicContact CD1-CD1 3.61Å
334	K	90.2	Very high	90.9	Very high	170 Å²	170	46 Å²	46	74%	0.739	22%	0.223	S	C	*	.	P	Polyproline II helix	trans	-67.5	149.7	164.1	-66.4	177.6	-179.9	174.8	0	108.8	F336 G337	K334-F336 VanDerWaalsContact C-N 3.32Å; K334-F336 PolarHBondContact O-N 2.95Å; K334-F336 VanDerWaalsContact O-N 3.12Å; K334-G337 WeakPolarHBondContact O-CA 3.41Å; K334-G337 PolarHBondContact O-N 3.11Å
335	P	86.9	Confident	91.3	Very high	47 Å²	47	43.5 Å²	43.5	31%	0.305	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-49.6	-43.8	-174.3	-32	36.7	0	0	0	115.4	G337 F338 M573 N577	P335-G337 PolarHBondContact O-N 3.03Å; P335-F338 PolarHBondContact O-N 3.5Å; P335-M573 HydrophobicContact CG-CE 3.9Å; P335-N577 WeakPolarHBondContact O-CB 3.44Å; P335-N577 PolarHBondContact O-OD1 3.39Å
336	F	88.5	Confident	91.3	Very high	111 Å²	111	44.3 Å²	44.3	49%	0.487	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-61.8	-24.4	176.1	-65.4	-78.7	0	0	0	114.4	K334 F338 R339	K334-F336 VanDerWaalsContact C-N 3.32Å; K334-F336 PolarHBondContact O-N 2.95Å; K334-F336 VanDerWaalsContact O-N 3.12Å; F336-F338 VanDerWaalsContact C-N 3.26Å; F336-F338 PolarHBondContact O-N 3.16Å; F336-R339 WeakPolarHBondContact O-CB 3.35Å; F336-R339 PolarHBondContact O-N 3.45Å
337	G	91.5	Very high	91.4	Very high	28 Å²	28	44.4 Å²	44.4	29%	0.289	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-72.7	-12.1	178.4	0	0	0	0	0	114.7	K334 P335 P340	K334-G337 WeakPolarHBondContact O-CA 3.41Å; K334-G337 PolarHBondContact O-N 3.11Å; P335-G337 PolarHBondContact O-N 3.03Å; G337-P340 WeakPolarHBondContact O-CD 2.98Å
338	F	92	Very high	91.5	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.009	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-81.9	-16.8	172.5	-66.6	-88.3	0	0	0	113.1	L333 P335 F336 I341 I347 H349 P351 N577 V584	L333-F338 HydrophobicContact CB-CD2 4.15Å; L333-F338 HydrophobicContact CB-CE2 3.76Å; L333-F338 HydrophobicContact CB-CZ 3.97Å; L333-F338 WeakPolarHBondContact O-CE2 3.09Å; P335-F338 PolarHBondContact O-N 3.5Å; F336-F338 VanDerWaalsContact C-N 3.26Å; F336-F338 PolarHBondContact O-N 3.16Å; F338-I341 VanDerWaalsContact O-CB 3.32Å; F338-I341 WeakPolarHBondContact O-CB 3.14Å; F338-I341 VanDerWaalsContact O-CG1 3.31Å; F338-I341 WeakPolarHBondContact O-CG1 3.11Å; F338-I341 PolarHBondContact O-N 3.03Å; F338-I347 HydrophobicContact CE1-CG2 3.92Å; F338-H349 VanDerWaalsContact CE1-O 3.23Å; F338-H349 WeakPolarHBondContact CE1-O 3.23Å; F338-P351 HydrophobicContact CD2-CB 3.85Å; F338-P351 HydrophobicContact CE2-CB 3.79Å; F338-P351 HydrophobicContact CG-CB 4.44Å; F338-P351 HydrophobicContact CZ-CB 4.36Å; F338-N577 CarbonylContact C-O 3.56Å; F338-N577 HydrophobicContact CB-CB 4.3Å; F338-N577 WeakPolarHBondContact CB-O 3.39Å; F338-V584 HydrophobicContact CD1-CG1 3.74Å; F338-V584 HydrophobicContact CE1-CG1 3.73Å
339	R	90.7	Very high	91.5	Very high	114 Å²	114	44.1 Å²	44.1	43%	0.43	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-33.9	-175.3	-59.6	175.3	178.8	-151	-9.8	115.3	F336 I341 Q576 N577 R579	F336-R339 WeakPolarHBondContact O-CB 3.35Å; F336-R339 PolarHBondContact O-N 3.45Å; R339-I341 PolarHBondContact O-N 3.35Å; R339-Q576 PolarHBondContact NH2-O 3.48Å; R339-N577 VanDerWaalsContact CA-O 3.31Å; R339-N577 WeakPolarHBondContact CA-O 3.47Å; R339-N577 HydrophobicContact CG-CB 4.43Å; R339-N577 VanDerWaalsContact CG-O 3.25Å; R339-N577 WeakPolarHBondContact CG-O 3.42Å; R339-N577 PolarHBondContact N-O 3.1Å; R339-N577 VanDerWaalsContact N-O 3.11Å; R339-N577 PolarHBondContact NE-OD1 3.49Å; R339-N577 PolarHBondContact NH2-OD1 2.94Å; R339-R579 PolarHBondContact O-NE 3.37Å
340	P	90.8	Very high	91.6	Very high	88 Å²	88	43.3 Å²	43.3	57%	0.571	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-15.9	173.8	-18.4	33.5	0	0	0	113.7	G337 R342	G337-P340 WeakPolarHBondContact O-CD 2.98Å; P340-R342 PolarHBondContact O-N 2.63Å
341	I	90.2	Very high	91.6	Very high	11 Å²	11	43.3 Å²	43.3	6%	0.056	21%	0.212	C	C	.	.			trans	-68	126	-173.2	-50.4	-53.1	0	0	0	109	W325 L333 F338 R339 Q345 I347 R579	W325-I341 HydrophobicContact CH2-CD1 3.96Å; W325-I341 HydrophobicContact CH2-CG2 4.16Å; W325-I341 HydrophobicContact CZ2-CD1 3.94Å; L333-I341 HydrophobicContact CD1-CD1 4.47Å; F338-I341 VanDerWaalsContact O-CB 3.32Å; F338-I341 WeakPolarHBondContact O-CB 3.14Å; F338-I341 VanDerWaalsContact O-CG1 3.31Å; F338-I341 WeakPolarHBondContact O-CG1 3.11Å; F338-I341 PolarHBondContact O-N 3.03Å; R339-I341 PolarHBondContact O-N 3.35Å; I341-Q345 HydrophobicContact CG2-CB 3.77Å; I341-I347 HydrophobicContact CD1-CD1 3.73Å; I341-I347 HydrophobicContact CG1-CD1 3.69Å; I341-I347 HydrophobicContact CG2-CD1 4.08Å; I341-I347 HydrophobicContact CG2-CG1 4.38Å; I341-R579 VanDerWaalsContact O-CD 3.25Å; I341-R579 WeakPolarHBondContact O-CD 3.2Å; I341-R579 WeakPolarHBondContact O-CG 3.02Å
342	R	89.3	Confident	91.7	Very high	91 Å²	91	39.7 Å²	39.7	34%	0.343	20%	0.195	S	C	.	.			trans	-78.3	165.7	179	-53.9	-173.4	-170.5	-179.2	15.1	110.6	E324 P340 Y344 Q345	E324-R342 VanDerWaalsContact CD-NH1 3.35Å; E324-R342 IonicContact OE1-CZ 3.54Å; E324-R342 IonicContact OE1-NH1 2.67Å; E324-R342 PolarHBondContact OE1-NH1 3.11Å; E324-R342 IonicContact OE1-NH2 3.51Å; E324-R342 PolarHBondContact OE1-NH2 3.28Å; E324-R342 IonicContact OE2-CZ 2.7Å; E324-R342 VanDerWaalsContact OE2-CZ 3.28Å; E324-R342 IonicContact OE2-NH1 3.62Å; E324-R342 PolarHBondContact OE2-NH1 2.68Å; E324-R342 IonicContact OE2-NH2 2.66Å; P340-R342 PolarHBondContact O-N 2.63Å; R342-Y344 HydrophobicContact CB-CD1 4.47Å; R342-Y344 HydrophobicContact CB-CE1 4.14Å; R342-Q345 HydrophobicContact CB-CG 3.94Å; R342-Q345 VanDerWaalsContact O-CB 3.3Å; R342-Q345 WeakPolarHBondContact O-CB 3.12Å; R342-Q345 PolarHBondContact O-N 2.66Å; R342-Q345 VanDerWaalsContact O-N 3.15Å
343	E	82.6	Confident	91.8	Very high	30 Å²	30	37.8 Å²	37.8	14%	0.14	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-40.2	-166.9	-69.5	-173.4	-137.9	0	0	116.3	Q345 R579 R580 S583 T793	E343-Q345 PolarHBondContact O-N 3.15Å; E343-R579 HydrophobicContact CG-CB 4.47Å; E343-R580 HydrophobicContact CG-CG 4.25Å; E343-R580 PolarHBondContact O-NH1 3.42Å; E343-R580 IonicContact OE2-CZ 3.46Å; E343-R580 IonicContact OE2-NE 2.69Å; E343-R580 PolarHBondContact OE2-NE 3.28Å; E343-R580 IonicContact OE2-NH2 2.83Å; E343-R580 PolarHBondContact OE2-NH2 2.94Å; E343-S583 PolarHBondContact O-OG 3.06Å; E343-T793 PolarHBondContact OE1-OG1 2.75Å; E343-T793 VanDerWaalsContact OE2-CB 3.26Å; E343-T793 WeakPolarHBondContact OE2-CB 3.1Å; E343-T793 VanDerWaalsContact OE2-CG2 3.24Å; E343-T793 WeakPolarHBondContact OE2-CG2 3.27Å; E343-T793 PolarHBondContact OE2-OG1 2.7Å
344	Y	87.3	Confident	91.9	Very high	16 Å²	16	40.9 Å²	40.9	6%	0.063	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-15.3	176.1	62.5	-100.8	0	0	0	112	E324 I326 R342 P638	E324-Y344 WeakPolarHBondContact CA-OH 3.35Å; E324-Y344 PolarHBondContact OE2-OH 3.27Å; I326-Y344 HydrophobicContact CG1-CD2 4.48Å; R342-Y344 HydrophobicContact CB-CD1 4.47Å; R342-Y344 HydrophobicContact CB-CE1 4.14Å; Y344-P638 HydrophobicContact CD1-CB 4.17Å; Y344-P638 HydrophobicContact CD2-CG 4.31Å; Y344-P638 HydrophobicContact CE1-CB 4.07Å; Y344-P638 HydrophobicContact CE2-CB 4.47Å; Y344-P638 HydrophobicContact CE2-CG 4.12Å; Y344-P638 HydrophobicContact CG-CB 4.4Å
345	Q	93.7	Very high	92.1	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.019	17%	0.173	C	C	.	.			trans	-80.4	140.1	-177.1	-50.5	-172	-58.5	0	0	110.5	N323 W325 I326 I341 R342 E343 S583	N323-Q345 PolarHBondContact O-NE2 3.11Å; W325-Q345 VanDerWaalsContact CE2-NE2 3.31Å; W325-Q345 HydrophobicContact CE3-CB 4.31Å; W325-Q345 HydrophobicContact CH2-CB 4Å; W325-Q345 HydrophobicContact CZ3-CB 3.81Å; W325-Q345 HydrophobicContact CZ3-CG 4.41Å; W325-Q345 VanDerWaalsContact O-CG 3.27Å; W325-Q345 WeakPolarHBondContact O-CG 3.4Å; W325-Q345 PolarHBondContact O-NE2 3.12Å; I326-Q345 WeakPolarHBondContact O-CA 3.45Å; I341-Q345 HydrophobicContact CG2-CB 3.77Å; R342-Q345 HydrophobicContact CB-CG 3.94Å; R342-Q345 VanDerWaalsContact O-CB 3.3Å; R342-Q345 WeakPolarHBondContact O-CB 3.12Å; R342-Q345 PolarHBondContact O-N 2.66Å; R342-Q345 VanDerWaalsContact O-N 3.15Å; E343-Q345 PolarHBondContact O-N 3.15Å; Q345-S583 WeakPolarHBondContact O-CA 3.43Å; Q345-S583 VanDerWaalsContact O-CB 3.25Å; Q345-S583 WeakPolarHBondContact O-CB 3.34Å; Q345-S583 PolarHBondContact O-OG 2.87Å
346	K	95.2	Very high	92.5	Very high	22 Å²	22	32.6 Å²	32.6	10%	0.096	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	138.5	179.2	-67	173.8	179.8	-90.8	0	112.6	I326 Y328 A582 S583 Y585 C633 G634 F635	I326-K346 PolarHBondContact O-N 2.76Å; Y328-K346 PolarHBondContact N-O 3.04Å; Y328-K346 VanDerWaalsContact N-O 3.1Å; K346-A582 PolarHBondContact NZ-O 3.26Å; K346-S583 WeakPolarHBondContact CA-O 3.32Å; K346-Y585 HydrophobicContact CB-CD1 4.13Å; K346-Y585 HydrophobicContact CB-CE1 3.87Å; K346-C633 WeakPolarHBondContact CE-O 3.3Å; K346-C633 PolarHBondContact NZ-O 2.99Å; K346-G634 WeakPolarHBondContact CE-O 3.36Å; K346-F635 HydrophobicContact CB-CD1 4Å; K346-F635 HydrophobicContact CB-CE1 3.62Å; K346-F635 HydrophobicContact CB-CZ 4.28Å; K346-F635 HydrophobicContact CD-CD1 3.81Å; K346-F635 HydrophobicContact CD-CE1 4.13Å; K346-F635 HydrophobicContact CD-CG 4.09Å; K346-F635 HydrophobicContact CG-CD1 4.35Å; K346-F635 HydrophobicContact CG-CE1 4.42Å
347	I	95.7	Very high	92.7	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	138.2	-177.8	-66.5	-170	0	0	0	110.7	W325 Y328 L333 F338 I341 H349 S583 V584 Y585	W325-I347 HydrophobicContact CH2-CD1 4.17Å; W325-I347 HydrophobicContact CH2-CG1 4.2Å; W325-I347 HydrophobicContact CZ3-CG1 4.4Å; Y328-I347 HydrophobicContact CD1-CD1 4.35Å; Y328-I347 HydrophobicContact CD1-CG1 4.15Å; Y328-I347 HydrophobicContact CD1-CG2 4.1Å; L333-I347 HydrophobicContact CD1-CD1 3.61Å; F338-I347 HydrophobicContact CE1-CG2 3.92Å; I341-I347 HydrophobicContact CD1-CD1 3.73Å; I341-I347 HydrophobicContact CG1-CD1 3.69Å; I341-I347 HydrophobicContact CG2-CD1 4.08Å; I341-I347 HydrophobicContact CG2-CG1 4.38Å; I347-H349 PolarHBondContact O-N 3.24Å; I347-H349 VanDerWaalsContact O-N 3.13Å; I347-S583 PolarHBondContact N-O 3.11Å; I347-V584 HydrophobicContact CB-CG1 4.42Å; I347-V584 WeakPolarHBondContact O-CA 3.45Å; I347-Y585 VanDerWaalsContact O-CD1 3.32Å; I347-Y585 WeakPolarHBondContact O-CD1 3.32Å; I347-Y585 PolarHBondContact O-N 3.47Å
348	N	96.7	Very high	92.8	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.027	14%	0.14	C	C	.	.	S	Bend	trans	-76.6	16.3	-174.6	75.4	-68.5	0	0	0	116.7	Y328 Y329 G330 Y585	Y328-N348 PolarHBondContact O-N 3.15Å; Y329-N348 WeakPolarHBondContact CA-OD1 3.44Å; Y329-N348 HydrophobicContact CD2-CB 3.36Å; Y329-N348 HydrophobicContact CE2-CB 3.68Å; Y329-N348 HydrophobicContact CG-CB 3.94Å; G330-N348 PolarHBondContact N-OD1 3.5Å; G330-N348 PolarHBondContact O-ND2 2.84Å; G330-N348 PolarHBondContact O-OD1 3.04Å; N348-Y585 CarbonylContact C-O 3.51Å; N348-Y585 WeakPolarHBondContact CA-O 3.34Å; N348-Y585 HydrophobicContact CB-CE2 3.8Å
349	H	97	Very high	92.8	Very high	3 Å²	3	30.5 Å²	30.5	1%	0.014	15%	0.145	C	C	.	.	S	Bend	trans	-145.8	143.8	177.8	-72	-66.2	0	0	0	111.2	G330 H332 F338 I347 V584 Y585 E586 V607 S608	G330-H349 PolarHBondContact O-CD2 2.8Å; G330-H349 PolarHBondContact O-NE2 3.05Å; H332-H349 HydrophobicContact CB-CB 4.39Å; H332-H349 AromaticContact CD2-CG 3.97Å; H332-H349 AromaticContact CD2-ND1 3.96Å; F338-H349 VanDerWaalsContact CE1-O 3.23Å; F338-H349 WeakPolarHBondContact CE1-O 3.23Å; I347-H349 PolarHBondContact O-N 3.24Å; I347-H349 VanDerWaalsContact O-N 3.13Å; H349-V584 VanDerWaalsContact O-CG1 3.32Å; H349-V584 WeakPolarHBondContact O-CG1 3.08Å; H349-Y585 PolarHBondContact N-O 3.03Å; H349-E586 WeakPolarHBondContact CA-OE2 3.39Å; H349-E586 IonicContact CE1-OE1 3.16Å; H349-E586 IonicContact CG-OE1 2.75Å; H349-E586 IonicContact ND1-OE1 2.76Å; H349-E586 PolarHBondContact ND1-OE1 2.87Å; H349-V607 PolarHBondContact CE1-O 3.32Å; H349-S608 PolarHBondContact CE1-OG 2.9Å
350	F	96.2	Very high	93	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.009	13%	0.131	C	C	.	.			trans	-81.4	151.4	166.7	-63.7	-81.2	0	0	0	112.2	H332 G352 S353 V474 F477 I570 V574 V584 E586	H332-F350 PolarHBondContact CE1-O 2.94Å; H332-F350 PolarHBondContact NE2-O 2.79Å; F350-G352 PolarHBondContact O-N 2.87Å; F350-S353 PolarHBondContact N-OG 3.11Å; F350-S353 PolarHBondContact O-OG 3.49Å; F350-V474 HydrophobicContact CE2-CB 4.02Å; F350-V474 HydrophobicContact CE2-CG1 3.88Å; F350-V474 WeakPolarHBondContact CE2-O 3.4Å; F350-V474 HydrophobicContact CZ-CB 4.49Å; F350-V474 HydrophobicContact CZ-CG1 4.03Å; F350-V474 WeakPolarHBondContact CZ-O 3.09Å; F350-F477 HydrophobicContact CD1-CD2 4.22Å; F350-F477 HydrophobicContact CD2-CD2 4.04Å; F350-F477 AromaticContact CD2-CE2 3.74Å; F350-F477 HydrophobicContact CD2-CE2 3.74Å; F350-F477 HydrophobicContact CE1-CD2 4.18Å; F350-F477 AromaticContact CE2-CD2 4Å; F350-F477 HydrophobicContact CE2-CD2 4Å; F350-F477 AromaticContact CE2-CE2 3.8Å; F350-F477 HydrophobicContact CE2-CE2 3.8Å; F350-F477 HydrophobicContact CG-CD2 4.17Å; F350-F477 HydrophobicContact CG-CE2 4.24Å; F350-F477 HydrophobicContact CZ-CD2 4.07Å; F350-F477 HydrophobicContact CZ-CE2 4.33Å; F350-I570 HydrophobicContact CB-CG2 3.67Å; F350-I570 HydrophobicContact CD1-CG2 4.3Å; F350-I570 HydrophobicContact CG-CG2 4.01Å; F350-V574 HydrophobicContact CD1-CG2 3.88Å; F350-V584 HydrophobicContact CD1-CB 3.86Å; F350-V584 HydrophobicContact CD1-CG2 3.52Å; F350-V584 HydrophobicContact CE1-CB 4.14Å; F350-V584 HydrophobicContact CE1-CG2 3.78Å; F350-V584 WeakPolarHBondContact CE1-O 3.49Å; F350-E586 HydrophobicContact CD2-CB 3.6Å; F350-E586 WeakPolarHBondContact CD2-OE2 3.38Å; F350-E586 HydrophobicContact CE2-CB 3.64Å; F350-E586 PolarHBondContact N-OE2 3.1Å
351	P	94	Very high	93.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	98.7	162.6	28.7	-34.5	0	0	0	109.6	F338 M573 V574	F338-P351 HydrophobicContact CD2-CB 3.85Å; F338-P351 HydrophobicContact CE2-CB 3.79Å; F338-P351 HydrophobicContact CG-CB 4.44Å; F338-P351 HydrophobicContact CZ-CB 4.36Å; P351-M573 HydrophobicContact CB-CB 4.34Å; P351-M573 HydrophobicContact CB-CE 4.48Å; P351-M573 HydrophobicContact CG-CB 4.46Å; P351-M573 WeakPolarHBondContact CG-O 3.48Å; P351-M573 WeakPolarHBondContact O-CB 3.22Å; P351-V574 HydrophobicContact CG-CB 4.36Å; P351-V574 HydrophobicContact CG-CG2 3.84Å
352	G	92.9	Very high	93.4	Very high	10 Å²	10	25.6 Å²	25.6	10%	0.103	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	133	-2	172.4	0	0	0	0	0	115.7	F350 F354 Q355	F350-G352 PolarHBondContact O-N 2.87Å; G352-F354 PolarHBondContact O-N 2.82Å; G352-Q355 VanDerWaalsContact O-CB 3.31Å; G352-Q355 WeakPolarHBondContact O-CB 3.39Å; G352-Q355 WeakPolarHBondContact O-CG 3.38Å; G352-Q355 PolarHBondContact O-N 2.8Å
353	S	94.7	Very high	93.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.6	-170	-43.8	0	0	0	0	114.9	F350 Q355 L356 G357 E586 V607	F350-S353 PolarHBondContact N-OG 3.11Å; F350-S353 PolarHBondContact O-OG 3.49Å; S353-Q355 PolarHBondContact O-N 2.67Å; S353-Q355 VanDerWaalsContact O-N 3.1Å; S353-L356 WeakPolarHBondContact O-CA 3.45Å; S353-L356 WeakPolarHBondContact O-CB 3.43Å; S353-L356 PolarHBondContact O-N 2.9Å; S353-G357 PolarHBondContact O-N 2.71Å; S353-E586 VanDerWaalsContact CB-OE1 3.23Å; S353-E586 WeakPolarHBondContact CB-OE1 3.36Å; S353-E586 WeakPolarHBondContact CB-OE2 3.33Å; S353-E586 VanDerWaalsContact OG-CD 3.32Å; S353-E586 PolarHBondContact OG-OE1 2.97Å; S353-E586 PolarHBondContact OG-OE2 3.33Å; S353-V607 WeakPolarHBondContact O-CG2 3.41Å
354	F	94.2	Very high	94.2	Very high	103 Å²	103	23.7 Å²	23.7	45%	0.452	12%	0.115	S	C	.	.	H	α-helix	trans	-61.5	-11.7	169.4	-65.8	-63.8	0	0	0	115	H332 G352 L356 R358 V607	H332-F354 HydrophobicContact CB-CE2 4.17Å; H332-F354 HydrophobicContact CB-CZ 4.17Å; H332-F354 AromaticContact CD2-CD2 3.85Å; H332-F354 AromaticContact CD2-CE2 3.32Å; H332-F354 WeakPolarHBondContact CD2-CE2 3.46Å; H332-F354 AromaticContact CD2-CZ 3.75Å; H332-F354 AromaticContact CE1-CD2 4Å; H332-F354 AromaticContact CE1-CE2 3.78Å; H332-F354 AromaticContact CG-CE2 3.55Å; H332-F354 AromaticContact CG-CZ 3.98Å; H332-F354 AromaticContact ND1-CE2 3.8Å; H332-F354 AromaticContact NE2-CD2 3.53Å; H332-F354 AromaticContact NE2-CE2 3.45Å; H332-F354 WeakPolarHBondContact NE2-CE2 3.39Å; G352-F354 PolarHBondContact O-N 2.82Å; F354-L356 VanDerWaalsContact C-N 3.26Å; F354-R358 HydrophobicContact CB-CG 4.13Å; F354-R358 HydrophobicContact CD1-CG 4.37Å; F354-R358 VanDerWaalsContact O-CB 3.32Å; F354-R358 WeakPolarHBondContact O-CB 3.37Å; F354-R358 WeakPolarHBondContact O-CG 3.47Å; F354-R358 PolarHBondContact O-N 2.85Å; F354-R358 VanDerWaalsContact O-N 3.16Å; F354-V607 HydrophobicContact CE1-CG1 4.27Å
355	Q	94.5	Very high	94.5	Very high	44 Å²	44	23.8 Å²	23.8	21%	0.206	12%	0.116	C	C	.	.	H	α-helix	trans	-69	-26.8	167.7	-63.3	-77.9	37.8	0	0	112.3	G352 S353 K361 L362 N365 V566 C569	G352-Q355 VanDerWaalsContact O-CB 3.31Å; G352-Q355 WeakPolarHBondContact O-CB 3.39Å; G352-Q355 WeakPolarHBondContact O-CG 3.38Å; G352-Q355 PolarHBondContact O-N 2.8Å; S353-Q355 PolarHBondContact O-N 2.67Å; S353-Q355 VanDerWaalsContact O-N 3.1Å; Q355-K361 CarbonylContact O-C 3.54Å; Q355-K361 VanDerWaalsContact O-CB 3.26Å; Q355-K361 WeakPolarHBondContact O-CB 3.28Å; Q355-L362 PolarHBondContact O-N 2.96Å; Q355-N365 PolarHBondContact O-ND2 2.97Å; Q355-V566 HydrophobicContact CB-CG1 3.96Å; Q355-C569 PolarHBondContact NE2-SG 2.68Å
356	L	93.9	Very high	94.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-96.9	-43.4	174.9	-173.8	69	0	0	0	110.7	S353 F354 L362 T562 L563 V566 F588 V605	S353-L356 WeakPolarHBondContact O-CA 3.45Å; S353-L356 WeakPolarHBondContact O-CB 3.43Å; S353-L356 PolarHBondContact O-N 2.9Å; F354-L356 VanDerWaalsContact C-N 3.26Å; L356-L362 HydrophobicContact CD1-CD1 4.02Å; L356-T562 HydrophobicContact CD1-CG2 3.68Å; L356-L563 HydrophobicContact CD2-CD2 3.93Å; L356-V566 HydrophobicContact CB-CG1 4.46Å; L356-V566 HydrophobicContact CB-CG2 4.47Å; L356-V566 HydrophobicContact CD1-CG2 4.38Å; L356-F588 HydrophobicContact CD2-CD1 3.87Å; L356-F588 HydrophobicContact CD2-CD2 4.23Å; L356-F588 HydrophobicContact CD2-CE1 3.76Å; L356-F588 HydrophobicContact CD2-CE2 4.11Å; L356-F588 HydrophobicContact CD2-CG 4.11Å; L356-F588 HydrophobicContact CD2-CZ 3.89Å; L356-V605 HydrophobicContact CD1-CG2 4.26Å; L356-V605 HydrophobicContact CD2-CG1 3.94Å; L356-V605 HydrophobicContact CG-CB 4.1Å; L356-V605 HydrophobicContact CG-CG1 3.89Å; L356-V605 HydrophobicContact CG-CG2 4.34Å
357	G	93.1	Very high	94.4	Very high	20 Å²	20	25 Å²	25	21%	0.206	12%	0.124	C	C	.	.	H	α-helix	trans	-79.3	-19.3	-173.1	0	0	0	0	0	116.9	S353 V605	S353-G357 PolarHBondContact O-N 2.71Å; G357-V605 WeakPolarHBondContact CA-O 3.46Å
358	R	93.7	Very high	94.2	Very high	50 Å²	50	28.9 Å²	28.9	19%	0.189	14%	0.142	C	C	.	.	S	Bend	trans	-89	132.1	172.7	-66.3	176.4	56.8	102.7	2.1	110.1	F354 D360 K361 L362 S1403	F354-R358 HydrophobicContact CB-CG 4.13Å; F354-R358 HydrophobicContact CD1-CG 4.37Å; F354-R358 VanDerWaalsContact O-CB 3.32Å; F354-R358 WeakPolarHBondContact O-CB 3.37Å; F354-R358 WeakPolarHBondContact O-CG 3.47Å; F354-R358 PolarHBondContact O-N 2.85Å; F354-R358 VanDerWaalsContact O-N 3.16Å; R358-D360 WeakPolarHBondContact CB-OD1 3.49Å; R358-D360 IonicContact CZ-OD1 2.67Å; R358-D360 IonicContact CZ-OD2 3.41Å; R358-D360 IonicContact NE-OD1 3.8Å; R358-D360 PolarHBondContact NE-OD1 3.22Å; R358-D360 IonicContact NE-OD2 3.87Å; R358-D360 IonicContact NH2-OD1 3.63Å; R358-D360 PolarHBondContact NH2-OD1 3.15Å; R358-D360 IonicContact NH2-OD2 3.18Å; R358-D360 PolarHBondContact NH2-OD2 3.38Å; R358-D360 PolarHBondContact O-N 3.35Å; R358-K361 HydrophobicContact CB-CB 4.18Å; R358-K361 HydrophobicContact CB-CG 4.11Å; R358-K361 PolarHBondContact O-N 2.99Å; R358-K361 VanDerWaalsContact O-N 3.13Å; R358-L362 VanDerWaalsContact O-CB 3.31Å; R358-L362 WeakPolarHBondContact O-CB 3.41Å; R358-L362 PolarHBondContact O-N 3.43Å; R358-S1403 PolarHBondContact NH1-OG 3.24Å; R358-S1403 VanDerWaalsContact NH1-OG 3.09Å
359	K	93.5	Very high	93.9	Very high	27 Å²	27	28.9 Å²	28.9	12%	0.117	14%	0.142	C	C	.	.	H	α-helix	trans	-59.4	-33.8	-177.9	-63.8	156	166	66.1	0	112.5	W363 K424 P425 P426 S428 I450 E604	K359-W363 PolarHBondContact O-N 3.21Å; K359-K424 HydrophobicContact CD-CB 4.46Å; K359-P425 VanDerWaalsContact CD-O 3.27Å; K359-P425 WeakPolarHBondContact CD-O 3.35Å; K359-P426 PolarHBondContact N-O 2.98Å; K359-P426 VanDerWaalsContact N-O 3.11Å; K359-S428 PolarHBondContact NZ-O 2.89Å; K359-I450 VanDerWaalsContact C-CD1 3.42Å; K359-I450 HydrophobicContact CB-CD1 3.33Å; K359-E604 WeakPolarHBondContact CE-OE2 3.47Å; K359-E604 IonicContact NZ-OE1 3.4Å; K359-E604 IonicContact NZ-OE2 2.79Å; K359-E604 PolarHBondContact NZ-OE2 2.99Å
360	D	93.5	Very high	93.7	Very high	26 Å²	26	31 Å²	31	14%	0.139	15%	0.15	C	C	.	.	H	α-helix	trans	-72.7	-41.6	177.7	57.8	-4.5	0	0	0	112.3	R358 I364 P426 I450	R358-D360 WeakPolarHBondContact CB-OD1 3.49Å; R358-D360 IonicContact CZ-OD1 2.67Å; R358-D360 IonicContact CZ-OD2 3.41Å; R358-D360 IonicContact NE-OD1 3.8Å; R358-D360 PolarHBondContact NE-OD1 3.22Å; R358-D360 IonicContact NE-OD2 3.87Å; R358-D360 IonicContact NH2-OD1 3.63Å; R358-D360 PolarHBondContact NH2-OD1 3.15Å; R358-D360 IonicContact NH2-OD2 3.18Å; R358-D360 PolarHBondContact NH2-OD2 3.38Å; R358-D360 PolarHBondContact O-N 3.35Å; D360-I364 WeakPolarHBondContact O-CD1 3.47Å; D360-I364 WeakPolarHBondContact O-CG1 3.47Å; D360-I364 PolarHBondContact O-N 2.59Å; D360-I364 VanDerWaalsContact O-N 3.09Å; D360-P426 HydrophobicContact CB-CB 4.07Å; D360-I450 HydrophobicContact CB-CD1 4Å; D360-I450 VanDerWaalsContact N-CD1 3.33Å
361	K	94.5	Very high	93.3	Very high	73 Å²	73	35.4 Å²	35.4	32%	0.317	18%	0.181	S	C	.	.	H	α-helix	trans	-69.6	-44.6	176.1	-64.8	-53.9	-160.9	166.6	0	112.8	Q355 R358 W363 I364 N365	Q355-K361 CarbonylContact O-C 3.54Å; Q355-K361 VanDerWaalsContact O-CB 3.26Å; Q355-K361 WeakPolarHBondContact O-CB 3.28Å; R358-K361 HydrophobicContact CB-CB 4.18Å; R358-K361 HydrophobicContact CB-CG 4.11Å; R358-K361 PolarHBondContact O-N 2.99Å; R358-K361 VanDerWaalsContact O-N 3.13Å; K361-W363 VanDerWaalsContact C-N 3.3Å; K361-W363 PolarHBondContact O-N 3.11Å; K361-I364 PolarHBondContact O-N 3.21Å; K361-I364 VanDerWaalsContact O-N 3.12Å; K361-N365 WeakPolarHBondContact O-CB 3.49Å; K361-N365 PolarHBondContact O-N 3.49Å; K361-N365 PolarHBondContact O-ND2 3.16Å; K361-N365 VanDerWaalsContact O-ND2 3.14Å
362	L	95.5	Very high	93	Very high	11 Å²	11	41 Å²	41	6%	0.058	20%	0.202	C	C	.	.	H	α-helix	trans	-51.5	-50.3	174.3	-177.8	61	0	0	0	110.8	Q355 L356 R358 L366 T562 L602 V605	Q355-L362 PolarHBondContact O-N 2.96Å; L356-L362 HydrophobicContact CD1-CD1 4.02Å; R358-L362 VanDerWaalsContact O-CB 3.31Å; R358-L362 WeakPolarHBondContact O-CB 3.41Å; R358-L362 PolarHBondContact O-N 3.43Å; L362-L366 HydrophobicContact CD1-CD1 3.68Å; L362-L366 HydrophobicContact CD1-CG 4.37Å; L362-L366 HydrophobicContact CG-CD1 3.91Å; L362-L366 VanDerWaalsContact O-CB 3.3Å; L362-L366 WeakPolarHBondContact O-CB 3.37Å; L362-L366 WeakPolarHBondContact O-CD1 3.32Å; L362-L366 VanDerWaalsContact O-CG 3.31Å; L362-L366 WeakPolarHBondContact O-CG 3.35Å; L362-L366 PolarHBondContact O-N 3.46Å; L362-T562 HydrophobicContact CD1-CG2 3.7Å; L362-L602 HydrophobicContact CD1-CD2 4.41Å; L362-L602 HydrophobicContact CD2-CD2 4.47Å; L362-V605 HydrophobicContact CD1-CG2 4.29Å; L362-V605 HydrophobicContact CD2-CG2 4.29Å
363	W	94.8	Very high	92.8	Very high	17 Å²	17	43.8 Å²	43.8	6%	0.064	21%	0.211	C	C	.	.	H	α-helix	trans	-62.2	-47.4	175.5	175	-118.6	0	0	0	113.2	K359 K361 N365 L366 N367 V381 T384	K359-W363 PolarHBondContact O-N 3.21Å; K361-W363 VanDerWaalsContact C-N 3.3Å; K361-W363 PolarHBondContact O-N 3.11Å; W363-N365 VanDerWaalsContact C-N 3.34Å; W363-N365 PolarHBondContact O-N 2.99Å; W363-L366 PolarHBondContact O-N 3Å; W363-N367 HydrophobicContact CD2-CB 4.26Å; W363-N367 HydrophobicContact CZ2-CB 4.24Å; W363-N367 WeakPolarHBondContact O-CB 3.49Å; W363-N367 PolarHBondContact O-N 3.18Å; W363-V381 HydrophobicContact CE3-CG1 4.04Å; W363-V381 HydrophobicContact CZ3-CG1 4.06Å; W363-T384 HydrophobicContact CB-CG2 4.07Å; W363-T384 VanDerWaalsContact CD2-CB 3.48Å; W363-T384 HydrophobicContact CD2-CG2 3.96Å; W363-T384 HydrophobicContact CE3-CG2 4.44Å; W363-T384 HydrophobicContact CG-CG2 3.74Å; W363-T384 WeakPolarHBondContact CZ2-O 3.48Å; W363-T384 PolarHBondContact NE1-O 2.84Å; W363-T384 VanDerWaalsContact NE1-O 3.13Å
364	I	93.7	Very high	92.5	Very high	63 Å²	63	45.3 Å²	45.3	32%	0.323	23%	0.228	S	C	.	.	H	α-helix	trans	-59.6	-46.3	-178.6	-72.2	163.8	0	0	0	110.9	D360 K361 N367 Q368	D360-I364 WeakPolarHBondContact O-CD1 3.47Å; D360-I364 WeakPolarHBondContact O-CG1 3.47Å; D360-I364 PolarHBondContact O-N 2.59Å; D360-I364 VanDerWaalsContact O-N 3.09Å; K361-I364 PolarHBondContact O-N 3.21Å; K361-I364 VanDerWaalsContact O-N 3.12Å; I364-N367 PolarHBondContact O-N 2.71Å; I364-Q368 WeakPolarHBondContact O-CG 3.36Å; I364-Q368 PolarHBondContact O-N 3.47Å
365	N	94.4	Very high	92.1	Very high	18 Å²	18	48.3 Å²	48.3	10%	0.096	24%	0.24	C	C	.	.	H	α-helix	trans	-69.2	-44.7	-177	-62.4	-25.7	0	0	0	111.3	Q355 K361 W363 N367 Q368 L369 V566	Q355-N365 PolarHBondContact O-ND2 2.97Å; K361-N365 WeakPolarHBondContact O-CB 3.49Å; K361-N365 PolarHBondContact O-N 3.49Å; K361-N365 PolarHBondContact O-ND2 3.16Å; K361-N365 VanDerWaalsContact O-ND2 3.14Å; W363-N365 VanDerWaalsContact C-N 3.34Å; W363-N365 PolarHBondContact O-N 2.99Å; N365-N367 PolarHBondContact O-N 2.96Å; N365-Q368 PolarHBondContact O-N 3.45Å; N365-L369 PolarHBondContact O-N 3.37Å; N365-V566 HydrophobicContact CB-CG1 4.34Å
366	L	94.3	Very high	91.8	Very high	1 Å²	1	56 Å²	56	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-65.6	-35.7	174.2	-73.5	168.1	0	0	0	112.9	L362 W363 L369 R370 I378 F380 V381 T562 L602	L362-L366 HydrophobicContact CD1-CD1 3.68Å; L362-L366 HydrophobicContact CD1-CG 4.37Å; L362-L366 HydrophobicContact CG-CD1 3.91Å; L362-L366 VanDerWaalsContact O-CB 3.3Å; L362-L366 WeakPolarHBondContact O-CB 3.37Å; L362-L366 WeakPolarHBondContact O-CD1 3.32Å; L362-L366 VanDerWaalsContact O-CG 3.31Å; L362-L366 WeakPolarHBondContact O-CG 3.35Å; L362-L366 PolarHBondContact O-N 3.46Å; W363-L366 PolarHBondContact O-N 3Å; L366-L369 PolarHBondContact O-N 2.9Å; L366-R370 VanDerWaalsContact O-CB 3.29Å; L366-R370 WeakPolarHBondContact O-CB 3.49Å; L366-R370 PolarHBondContact O-N 3.08Å; L366-I378 HydrophobicContact CB-CG2 4.49Å; L366-I378 HydrophobicContact CD2-CG2 4.31Å; L366-F380 HydrophobicContact CD2-CE2 4.2Å; L366-F380 HydrophobicContact CD2-CZ 4.17Å; L366-V381 HydrophobicContact CD1-CG2 3.66Å; L366-T562 HydrophobicContact CD1-CG2 4.38Å; L366-T562 HydrophobicContact CD2-CG2 4.36Å; L366-L602 HydrophobicContact CD1-CD2 4.21Å
367	N	92.5	Very high	91.6	Very high	52 Å²	52	57.5 Å²	57.5	28%	0.278	28%	0.284	S	S	.	.	H	α-helix	trans	-71.8	-35.8	177.4	-173.5	54.3	0	0	0	111.8	W363 I364 N365 R370 S371	W363-N367 HydrophobicContact CD2-CB 4.26Å; W363-N367 HydrophobicContact CZ2-CB 4.24Å; W363-N367 WeakPolarHBondContact O-CB 3.49Å; W363-N367 PolarHBondContact O-N 3.18Å; I364-N367 PolarHBondContact O-N 2.71Å; N365-N367 PolarHBondContact O-N 2.96Å; N367-R370 PolarHBondContact O-N 3.48Å; N367-R370 PolarHBondContact OD1-NE 3.09Å; N367-R370 PolarHBondContact OD1-NH2 3.05Å; N367-S371 PolarHBondContact O-N 3.39Å; N367-S371 PolarHBondContact O-OG 3.03Å; N367-S371 VanDerWaalsContact O-OG 3.1Å
368	Q	91	Very high	91.6	Very high	81 Å²	81	56.7 Å²	56.7	38%	0.379	28%	0.275	S	S	.	.	H	α-helix	trans	-60.4	-46	168.6	-74.5	175.9	13.2	0	0	111.3	I364 N365 R370 S371 R372	I364-Q368 WeakPolarHBondContact O-CG 3.36Å; I364-Q368 PolarHBondContact O-N 3.47Å; N365-Q368 PolarHBondContact O-N 3.45Å; Q368-R370 VanDerWaalsContact C-N 3.35Å; Q368-R370 PolarHBondContact O-N 3.45Å; Q368-S371 WeakPolarHBondContact O-CB 3.36Å; Q368-S371 PolarHBondContact O-N 2.92Å; Q368-S371 VanDerWaalsContact O-N 3.15Å; Q368-R372 PolarHBondContact O-N 2.94Å
369	L	90	Very high	91.6	Very high	6 Å²	6	58.3 Å²	58.3	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-61.3	-43.5	177.3	-163.1	66.5	0	0	0	111.3	N365 L366 S371 R372 F373 I378 K561 F905 A909	N365-L369 PolarHBondContact O-N 3.37Å; L366-L369 PolarHBondContact O-N 2.9Å; L369-S371 VanDerWaalsContact C-N 3.29Å; L369-S371 PolarHBondContact O-N 3.41Å; L369-R372 PolarHBondContact O-N 3.27Å; L369-F373 HydrophobicContact CD1-CD2 3.7Å; L369-F373 HydrophobicContact CD1-CE2 3.57Å; L369-F373 HydrophobicContact CG-CD2 3.99Å; L369-F373 HydrophobicContact CG-CE2 4.34Å; L369-F373 PolarHBondContact O-N 2.99Å; L369-I378 HydrophobicContact CD2-CD1 3.92Å; L369-I378 HydrophobicContact CG-CD1 4.17Å; L369-K561 WeakPolarHBondContact CD2-O 3.49Å; L369-F905 HydrophobicContact CD1-CE1 4.42Å; L369-F905 HydrophobicContact CD1-CZ 4.22Å; L369-F905 HydrophobicContact CD2-CE1 3.95Å; L369-F905 HydrophobicContact CD2-CZ 3.7Å; L369-F905 HydrophobicContact CG-CE1 4.48Å; L369-F905 HydrophobicContact CG-CZ 3.97Å; L369-A909 HydrophobicContact CD1-CB 3.71Å
370	R	92.1	Very high	91.7	Very high	47 Å²	47	57.6 Å²	57.6	18%	0.177	28%	0.284	C	S	.	.	H	α-helix	trans	-63	-30.5	174.1	-169.1	172.8	67.7	163	1.1	113.6	L366 N367 Q368 R372 G374 I378	L366-R370 VanDerWaalsContact O-CB 3.29Å; L366-R370 WeakPolarHBondContact O-CB 3.49Å; L366-R370 PolarHBondContact O-N 3.08Å; N367-R370 PolarHBondContact O-N 3.48Å; N367-R370 PolarHBondContact OD1-NE 3.09Å; N367-R370 PolarHBondContact OD1-NH2 3.05Å; Q368-R370 VanDerWaalsContact C-N 3.35Å; Q368-R370 PolarHBondContact O-N 3.45Å; R370-R372 VanDerWaalsContact C-N 3.33Å; R370-G374 CarbonylContact O-C 3.58Å; R370-G374 VanDerWaalsContact O-C 3.26Å; R370-G374 VanDerWaalsContact O-CA 3.23Å; R370-G374 WeakPolarHBondContact O-CA 3.27Å; R370-G374 PolarHBondContact O-N 3.49Å; R370-I378 HydrophobicContact CB-CB 3.76Å; R370-I378 HydrophobicContact CB-CG1 3.95Å; R370-I378 HydrophobicContact CB-CG2 4.19Å; R370-I378 VanDerWaalsContact CD-O 3.32Å; R370-I378 WeakPolarHBondContact CD-O 3.48Å; R370-I378 HydrophobicContact CG-CB 3.87Å; R370-I378 HydrophobicContact CG-CG1 4.41Å
371	S	89.3	Confident	91.8	Very high	94 Å²	94	57 Å²	57	66%	0.657	28%	0.281	S	S	*	.	H	α-helix	trans	-72.4	-24.8	172.9	-67	0	0	0	0	113.1	N367 Q368 L369	N367-S371 PolarHBondContact O-N 3.39Å; N367-S371 PolarHBondContact O-OG 3.03Å; N367-S371 VanDerWaalsContact O-OG 3.1Å; Q368-S371 WeakPolarHBondContact O-CB 3.36Å; Q368-S371 PolarHBondContact O-N 2.92Å; Q368-S371 VanDerWaalsContact O-N 3.15Å; L369-S371 VanDerWaalsContact C-N 3.29Å; L369-S371 PolarHBondContact O-N 3.41Å
372	R	86.8	Confident	91.7	Very high	118 Å²	118	53.7 Å²	53.7	45%	0.445	27%	0.267	S	S	.	.	H	α-helix	trans	-85.1	-51.6	174.8	-64.1	178.6	179.6	-160.1	-1.9	112.5	Q368 L369 R370 G908 Y910	Q368-R372 PolarHBondContact O-N 2.94Å; L369-R372 PolarHBondContact O-N 3.27Å; R370-R372 VanDerWaalsContact C-N 3.33Å; R372-G908 WeakPolarHBondContact CD-O 3.26Å; R372-G908 PolarHBondContact NH1-O 3.16Å; R372-Y910 PolarHBondContact NH1-O 2.9Å
373	F	88.1	Confident	91.5	Very high	68 Å²	68	58.3 Å²	58.3	30%	0.298	28%	0.283	S	S	.	.	H	α-helix	trans	-91.6	1.8	-174	-70.1	-81.9	0	0	0	114.4	L369 S377 F905	L369-F373 HydrophobicContact CD1-CD2 3.7Å; L369-F373 HydrophobicContact CD1-CE2 3.57Å; L369-F373 HydrophobicContact CG-CD2 3.99Å; L369-F373 HydrophobicContact CG-CE2 4.34Å; L369-F373 PolarHBondContact O-N 2.99Å; F373-S377 WeakPolarHBondContact O-CB 3.36Å; F373-F905 HydrophobicContact CB-CE2 4.22Å; F373-F905 AromaticContact CD1-CD2 3.8Å; F373-F905 HydrophobicContact CD1-CD2 3.8Å; F373-F905 AromaticContact CD1-CE2 3.79Å; F373-F905 HydrophobicContact CD1-CE2 3.79Å; F373-F905 HydrophobicContact CD2-CD2 4.37Å; F373-F905 AromaticContact CD2-CE2 3.74Å; F373-F905 HydrophobicContact CD2-CE2 3.74Å; F373-F905 HydrophobicContact CD2-CZ 4.03Å; F373-F905 AromaticContact CE1-CD2 3.66Å; F373-F905 HydrophobicContact CE1-CD2 3.66Å; F373-F905 AromaticContact CE1-CE2 3.99Å; F373-F905 HydrophobicContact CE1-CE2 3.99Å; F373-F905 HydrophobicContact CE1-CG 4.31Å; F373-F905 HydrophobicContact CE2-CD2 4.24Å; F373-F905 AromaticContact CE2-CE2 3.95Å; F373-F905 HydrophobicContact CE2-CE2 3.95Å; F373-F905 HydrophobicContact CE2-CZ 4.13Å; F373-F905 HydrophobicContact CG-CD2 4.15Å; F373-F905 AromaticContact CG-CE2 3.64Å; F373-F905 HydrophobicContact CG-CE2 3.64Å; F373-F905 HydrophobicContact CG-CZ 4.38Å; F373-F905 AromaticContact CZ-CD2 3.88Å; F373-F905 HydrophobicContact CZ-CD2 3.88Å; F373-F905 HydrophobicContact CZ-CE2 4.05Å; F373-F905 HydrophobicContact CZ-CG 4.22Å; F373-F905 VanDerWaalsContact CZ-O 3.24Å; F373-F905 WeakPolarHBondContact CZ-O 3.47Å
374	G	89.2	Confident	91.5	Very high	33 Å²	33	57.7 Å²	57.7	34%	0.34	28%	0.282	S	S	.	.			trans	78.1	164.9	-178.6	0	0	0	0	0	114	R370 K376 S377	R370-G374 CarbonylContact O-C 3.58Å; R370-G374 VanDerWaalsContact O-C 3.26Å; R370-G374 VanDerWaalsContact O-CA 3.23Å; R370-G374 WeakPolarHBondContact O-CA 3.27Å; R370-G374 PolarHBondContact O-N 3.49Å; G374-K376 PolarHBondContact O-N 3.21Å; G374-S377 PolarHBondContact O-N 3.06Å
375	K	86.5	Confident	91.5	Very high	165 Å²	165	55.4 Å²	55.4	72%	0.717	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-61.2	-45.1	-172.7	-65.3	173.6	-174.6	166.5	0	112.9	S377 I378 D379	K375-S377 VanDerWaalsContact C-N 3.25Å; K375-S377 PolarHBondContact O-N 3.24Å; K375-I378 CarbonylContact O-C 3.55Å; K375-I378 VanDerWaalsContact O-C 3.31Å; K375-I378 PolarHBondContact O-N 2.8Å; K375-D379 PolarHBondContact O-N 3.1Å
376	K	88.5	Confident	91.5	Very high	207 Å²	207	55.5 Å²	55.5	90%	0.9	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-59.9	-30.8	-177.6	-68.5	-169	177.3	-172	0	113.4	G374	G374-K376 PolarHBondContact O-N 3.21Å
377	S	88.9	Confident	91.4	Very high	31 Å²	31	55.9 Å²	55.9	22%	0.217	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-73.7	-32.1	-178.1	-170.3	0	0	0	0	112.9	F373 G374 K375 K561	F373-S377 WeakPolarHBondContact O-CB 3.36Å; G374-S377 PolarHBondContact O-N 3.06Å; K375-S377 VanDerWaalsContact C-N 3.25Å; K375-S377 PolarHBondContact O-N 3.24Å; S377-K561 PolarHBondContact O-NZ 3.49Å
378	I	93	Very high	91.4	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.015	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-122.3	61.4	-179.7	-43.2	-64.7	0	0	0	109.4	L366 L369 R370 K375 F380 K561 F905	L366-I378 HydrophobicContact CB-CG2 4.49Å; L366-I378 HydrophobicContact CD2-CG2 4.31Å; L369-I378 HydrophobicContact CD2-CD1 3.92Å; L369-I378 HydrophobicContact CG-CD1 4.17Å; R370-I378 HydrophobicContact CB-CB 3.76Å; R370-I378 HydrophobicContact CB-CG1 3.95Å; R370-I378 HydrophobicContact CB-CG2 4.19Å; R370-I378 VanDerWaalsContact CD-O 3.32Å; R370-I378 WeakPolarHBondContact CD-O 3.48Å; R370-I378 HydrophobicContact CG-CB 3.87Å; R370-I378 HydrophobicContact CG-CG1 4.41Å; K375-I378 CarbonylContact O-C 3.55Å; K375-I378 VanDerWaalsContact O-C 3.31Å; K375-I378 PolarHBondContact O-N 2.8Å; I378-F380 HydrophobicContact CB-CE1 4.26Å; I378-F380 HydrophobicContact CD1-CE1 3.85Å; I378-F380 HydrophobicContact CD1-CZ 4.08Å; I378-F380 HydrophobicContact CG2-CE1 3.94Å; I378-F380 HydrophobicContact CG2-CE2 4.46Å; I378-F380 HydrophobicContact CG2-CZ 3.88Å; I378-K561 HydrophobicContact CD1-CB 4.34Å; I378-K561 HydrophobicContact CD1-CD 4.2Å; I378-F905 HydrophobicContact CD1-CE2 4.46Å; I378-F905 HydrophobicContact CD1-CZ 4Å
379	D	93.4	Very high	91.4	Very high	84 Å²	84	55.8 Å²	55.8	45%	0.449	30%	0.295	S	S	.	.			trans	-106.8	21.7	177.2	-163.6	57.3	0	0	0	113.2	K375 K599 W601	K375-D379 PolarHBondContact O-N 3.1Å; D379-K599 WeakPolarHBondContact O-CE 3.37Å; D379-K599 PolarHBondContact O-NZ 3.44Å; D379-K599 IonicContact OD2-NZ 3.1Å; D379-K599 PolarHBondContact OD2-NZ 3.03Å; D379-W601 WeakPolarHBondContact O-CZ3 3.2Å
380	F	96.3	Very high	91.5	Very high	12 Å²	12	58.1 Å²	58.1	5%	0.053	31%	0.308	C	S	.	.	S	Bend	trans	-103.9	6.6	-179.9	56.6	-99.3	0	0	0	113.7	L366 I378 I558 K561 W601 L602	L366-F380 HydrophobicContact CD2-CE2 4.2Å; L366-F380 HydrophobicContact CD2-CZ 4.17Å; I378-F380 HydrophobicContact CB-CE1 4.26Å; I378-F380 HydrophobicContact CD1-CE1 3.85Å; I378-F380 HydrophobicContact CD1-CZ 4.08Å; I378-F380 HydrophobicContact CG2-CE1 3.94Å; I378-F380 HydrophobicContact CG2-CE2 4.46Å; I378-F380 HydrophobicContact CG2-CZ 3.88Å; F380-I558 HydrophobicContact CB-CD1 3.63Å; F380-I558 HydrophobicContact CB-CG1 3.61Å; F380-I558 HydrophobicContact CD1-CG1 4.05Å; F380-I558 HydrophobicContact CD2-CB 4.23Å; F380-I558 HydrophobicContact CD2-CG1 3.88Å; F380-I558 HydrophobicContact CD2-CG2 3.71Å; F380-I558 HydrophobicContact CE2-CG2 4.03Å; F380-I558 HydrophobicContact CG-CB 4.42Å; F380-I558 HydrophobicContact CG-CD1 4.19Å; F380-I558 HydrophobicContact CG-CG1 3.6Å; F380-I558 HydrophobicContact CG-CG2 4.34Å; F380-K561 HydrophobicContact CE1-CB 4.04Å; F380-K561 HydrophobicContact CE1-CD 3.83Å; F380-K561 HydrophobicContact CZ-CB 3.8Å; F380-K561 HydrophobicContact CZ-CD 4.45Å; F380-W601 CarbonylContact O-C 3.31Å; F380-W601 WeakPolarHBondContact O-CA 3.23Å; F380-L602 HydrophobicContact CD2-CB 4.33Å; F380-L602 PolarHBondContact O-N 3.07Å
381	V	95.1	Very high	91.5	Very high	13 Å²	13	57.9 Å²	57.9	8%	0.079	31%	0.309	C	S	.	.	S	Bend	trans	-122.8	124.8	179.2	177.6	0	0	0	0	109.5	W363 L366 L602	W363-V381 HydrophobicContact CE3-CG1 4.04Å; W363-V381 HydrophobicContact CZ3-CG1 4.06Å; L366-V381 HydrophobicContact CD1-CG2 3.66Å; V381-L602 HydrophobicContact CG2-CB 4.07Å; V381-L602 HydrophobicContact CG2-CD2 4.21Å
382	P	93.3	Very high	91.5	Very high	3 Å²	3	60.3 Å²	60.3	2%	0.019	31%	0.308	C	S	.	.			trans	-57.7	144.6	-179.8	-25.3	35.4	0	0	0	112	T384 Q452 S453 I455 W601 L602	P382-T384 PolarHBondContact O-N 3.41Å; P382-T384 PolarHBondContact O-OG1 3.15Å; P382-Q452 HydrophobicContact CB-CG 3.78Å; P382-S453 WeakPolarHBondContact CB-O 3.22Å; P382-S453 WeakPolarHBondContact CB-OG 3.49Å; P382-I455 HydrophobicContact CG-CD1 3.93Å; P382-I455 HydrophobicContact CG-CG1 4.26Å; P382-W601 HydrophobicContact CG-CD2 4.49Å; P382-W601 HydrophobicContact CG-CE3 3.92Å; P382-L602 WeakPolarHBondContact CD-O 3.45Å
383	R	91.1	Very high	91.7	Very high	108 Å²	108	57.5 Å²	57.5	41%	0.408	31%	0.307	S	S	.	.			trans	-58.6	123.7	-175.6	179.8	-179.7	-65.4	-114.8	3.5	110.2	F385 Q452 S453	R383-F385 HydrophobicContact CG-CE2 3.79Å; R383-F385 HydrophobicContact CG-CZ 4.15Å; R383-Q452 CarbonylContact O-C 3.42Å; R383-Q452 WeakPolarHBondContact O-CA 3.39Å; R383-S453 PolarHBondContact N-OG 3.29Å; R383-S453 PolarHBondContact O-N 2.88Å; R383-S453 PolarHBondContact O-OG 3.11Å
384	T	93.9	Very high	91.9	Very high	4 Å²	4	54.3 Å²	54.3	3%	0.025	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	149.7	-168.4	-61.3	0	0	0	0	111.2	W363 P382 I450 V451 Q452	W363-T384 HydrophobicContact CB-CG2 4.07Å; W363-T384 VanDerWaalsContact CD2-CB 3.48Å; W363-T384 HydrophobicContact CD2-CG2 3.96Å; W363-T384 HydrophobicContact CE3-CG2 4.44Å; W363-T384 HydrophobicContact CG-CG2 3.74Å; W363-T384 WeakPolarHBondContact CZ2-O 3.48Å; W363-T384 PolarHBondContact NE1-O 2.84Å; W363-T384 VanDerWaalsContact NE1-O 3.13Å; P382-T384 PolarHBondContact O-N 3.41Å; P382-T384 PolarHBondContact O-OG1 3.15Å; T384-I450 HydrophobicContact CG2-CG2 3.22Å; T384-V451 CarbonylContact C-O 3.5Å; T384-V451 WeakPolarHBondContact CA-O 3.4Å; T384-Q452 HydrophobicContact CG2-CB 4.39Å; T384-Q452 WeakPolarHBondContact OG1-CG 3.11Å; T384-Q452 PolarHBondContact OG1-NE2 3.02Å
385	F	93.7	Very high	91.9	Very high	16 Å²	16	58.4 Å²	58.4	7%	0.07	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	125.6	178.3	-60	-94.9	0	0	0	109.4	R383 D390 L394 F397 W421 I450 V451	R383-F385 HydrophobicContact CG-CE2 3.79Å; R383-F385 HydrophobicContact CG-CZ 4.15Å; F385-D390 WeakPolarHBondContact CA-OD2 3.27Å; F385-D390 HydrophobicContact CB-CB 3.9Å; F385-D390 HydrophobicContact CD1-CB 4.11Å; F385-L394 HydrophobicContact CB-CB 4.2Å; F385-L394 HydrophobicContact CB-CD1 4.43Å; F385-L394 HydrophobicContact CB-CD2 4.47Å; F385-L394 HydrophobicContact CD1-CB 3.84Å; F385-L394 HydrophobicContact CD1-CD1 4.46Å; F385-L394 HydrophobicContact CD2-CB 4.48Å; F385-L394 HydrophobicContact CD2-CD1 3.62Å; F385-L394 HydrophobicContact CE1-CB 4.28Å; F385-L394 HydrophobicContact CE2-CD1 3.85Å; F385-L394 HydrophobicContact CG-CB 3.94Å; F385-L394 HydrophobicContact CG-CD1 3.94Å; F385-L394 HydrophobicContact CG-CG 4.41Å; F385-L394 HydrophobicContact CZ-CD1 4.37Å; F385-F397 HydrophobicContact CE1-CB 4.42Å; F385-F397 HydrophobicContact CE2-CD1 4.3Å; F385-F397 HydrophobicContact CZ-CB 3.83Å; F385-F397 HydrophobicContact CZ-CD1 4.04Å; F385-F397 AromaticContact CZ-CG 3.98Å; F385-F397 HydrophobicContact CZ-CG 3.98Å; F385-W421 HydrophobicContact CD2-CH2 4.43Å; F385-W421 HydrophobicContact CD2-CZ3 4.02Å; F385-W421 AromaticContact CE2-CH2 3.68Å; F385-W421 HydrophobicContact CE2-CH2 3.68Å; F385-W421 AromaticContact CE2-CZ3 3.68Å; F385-W421 HydrophobicContact CE2-CZ3 3.68Å; F385-I450 WeakPolarHBondContact O-CA 3.26Å; F385-V451 PolarHBondContact N-O 2.78Å; F385-V451 PolarHBondContact O-N 3.09Å
386	C	93.7	Very high	91.9	Very high	19 Å²	19	55 Å²	55	13%	0.128	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	106	179.9	-75.2	0	0	0	0	111	G389 D390	C386-G389 PolarHBondContact O-N 2.84Å; C386-D390 PolarHBondContact N-OD2 3.32Å; C386-D390 PolarHBondContact O-N 3.3Å
387	L	93.1	Very high	91.8	Very high	10 Å²	10	47.4 Å²	47.4	5%	0.052	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	148.4	-178.2	-57.6	-170.5	0	0	0	112	L391 L394 I443 R448 V449 V451	L387-L391 HydrophobicContact CD1-CD1 4.22Å; L387-L391 HydrophobicContact CD2-CB 3.94Å; L387-L391 HydrophobicContact CD2-CD1 3.97Å; L387-L394 HydrophobicContact CD1-CD2 4.02Å; L387-L394 HydrophobicContact CD2-CD2 3.9Å; L387-L394 HydrophobicContact CG-CD2 4.41Å; L387-I443 HydrophobicContact CD1-CG2 3.45Å; L387-I443 VanDerWaalsContact CD1-CG2 3.45Å; L387-R448 WeakPolarHBondContact O-CA 3.28Å; L387-V449 HydrophobicContact CB-CG2 3.99Å; L387-V449 WeakPolarHBondContact CB-O 3.3Å; L387-V449 HydrophobicContact CD1-CG2 3.85Å; L387-V449 HydrophobicContact CG-CG2 4.23Å; L387-V449 PolarHBondContact N-O 2.81Å; L387-V451 HydrophobicContact CD1-CG2 3.78Å; L387-V451 HydrophobicContact CG-CG2 4.36Å
388	P	92.5	Very high	91.5	Very high	61 Å²	61	46.2 Å²	46.2	40%	0.396	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	cis	-81	-8.6	2.6	32.7	-36.9	0	0	0	115.4	D390 L391	P388-D390 PolarHBondContact O-N 3Å; P388-L391 VanDerWaalsContact O-CB 3.22Å; P388-L391 WeakPolarHBondContact O-CB 3.43Å; P388-L391 PolarHBondContact O-N 3.21Å
389	G	90.3	Very high	90.9	Very high	69 Å²	69	48.8 Å²	48.8	71%	0.711	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-47.8	-171.6	0	0	0	0	0	114.3	C386 L391	C386-G389 PolarHBondContact O-N 2.84Å; G389-L391 VanDerWaalsContact C-N 3.26Å; G389-L391 PolarHBondContact O-N 2.89Å
390	D	92.4	Very high	90.1	Very high	56 Å²	56	50.9 Å²	50.9	30%	0.299	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	9	-176.6	-63.4	-16.7	0	0	0	113.5	F385 C386 P388 K392 S393 L394	F385-D390 WeakPolarHBondContact CA-OD2 3.27Å; F385-D390 HydrophobicContact CB-CB 3.9Å; F385-D390 HydrophobicContact CD1-CB 4.11Å; C386-D390 PolarHBondContact N-OD2 3.32Å; C386-D390 PolarHBondContact O-N 3.3Å; P388-D390 PolarHBondContact O-N 3Å; D390-K392 VanDerWaalsContact C-N 3.29Å; D390-K392 PolarHBondContact O-N 3.11Å; D390-S393 PolarHBondContact O-N 3.22Å; D390-S393 VanDerWaalsContact O-N 3.15Å; D390-L394 PolarHBondContact O-N 2.91Å
391	L	91.4	Very high	88.9	Confident	41 Å²	41	54.6 Å²	54.6	22%	0.215	29%	0.286	C	S	.	.	H	α-helix	trans	-59.1	-36.2	-171.6	-173.8	67.2	0	0	0	113.2	L387 P388 G389 K395 W440 I443 K445	L387-L391 HydrophobicContact CD1-CD1 4.22Å; L387-L391 HydrophobicContact CD2-CB 3.94Å; L387-L391 HydrophobicContact CD2-CD1 3.97Å; P388-L391 VanDerWaalsContact O-CB 3.22Å; P388-L391 WeakPolarHBondContact O-CB 3.43Å; P388-L391 PolarHBondContact O-N 3.21Å; G389-L391 VanDerWaalsContact C-N 3.26Å; G389-L391 PolarHBondContact O-N 2.89Å; L391-K395 PolarHBondContact O-N 2.95Å; L391-W440 HydrophobicContact CD1-CH2 4.19Å; L391-W440 HydrophobicContact CD1-CZ2 4.21Å; L391-I443 HydrophobicContact CD1-CG2 4.09Å; L391-K445 HydrophobicContact CD2-CB 4.23Å
392	K	91.2	Very high	87.7	Confident	146 Å²	146	57 Å²	57	64%	0.635	30%	0.296	S	S	*	.	H	α-helix	trans	-63.4	-50.6	176.7	-169.2	-174.2	-175.5	-102.6	0	110.9	D390 L394 K395 E396	D390-K392 VanDerWaalsContact C-N 3.29Å; D390-K392 PolarHBondContact O-N 3.11Å; K392-L394 VanDerWaalsContact C-N 3.35Å; K392-L394 PolarHBondContact O-N 2.86Å; K392-K395 WeakPolarHBondContact O-CA 3.49Å; K392-K395 WeakPolarHBondContact O-CB 3.43Å; K392-K395 PolarHBondContact O-N 3Å; K392-K395 VanDerWaalsContact O-N 3.07Å; K392-E396 WeakPolarHBondContact CE-OE1 3.15Å; K392-E396 WeakPolarHBondContact CG-OE1 3.01Å; K392-E396 IonicContact NZ-OE1 2.63Å; K392-E396 PolarHBondContact NZ-OE1 3.07Å; K392-E396 WeakPolarHBondContact O-CG 3.19Å; K392-E396 PolarHBondContact O-N 3.28Å
393	S	90.8	Very high	86.2	Confident	59 Å²	59	61 Å²	61	41%	0.413	32%	0.318	S	S	.	.	H	α-helix	trans	-72.8	-26.3	-179	-60.1	0	0	0	0	113.6	D390 E396 F397	D390-S393 PolarHBondContact O-N 3.22Å; D390-S393 VanDerWaalsContact O-N 3.15Å; S393-E396 VanDerWaalsContact CA-OE2 3.3Å; S393-E396 WeakPolarHBondContact CA-OE2 3.3Å; S393-E396 PolarHBondContact OG-OE2 2.87Å; S393-F397 VanDerWaalsContact O-CB 3.27Å; S393-F397 WeakPolarHBondContact O-CB 3.25Å; S393-F397 PolarHBondContact O-N 2.9Å
394	L	90.6	Very high	84.8	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.1	-43.1	165.6	179.2	58.7	0	0	0	110.7	F385 L387 D390 K392 W398 W440 I443 V451	F385-L394 HydrophobicContact CB-CB 4.2Å; F385-L394 HydrophobicContact CB-CD1 4.43Å; F385-L394 HydrophobicContact CB-CD2 4.47Å; F385-L394 HydrophobicContact CD1-CB 3.84Å; F385-L394 HydrophobicContact CD1-CD1 4.46Å; F385-L394 HydrophobicContact CD2-CB 4.48Å; F385-L394 HydrophobicContact CD2-CD1 3.62Å; F385-L394 HydrophobicContact CE1-CB 4.28Å; F385-L394 HydrophobicContact CE2-CD1 3.85Å; F385-L394 HydrophobicContact CG-CB 3.94Å; F385-L394 HydrophobicContact CG-CD1 3.94Å; F385-L394 HydrophobicContact CG-CG 4.41Å; F385-L394 HydrophobicContact CZ-CD1 4.37Å; L387-L394 HydrophobicContact CD1-CD2 4.02Å; L387-L394 HydrophobicContact CD2-CD2 3.9Å; L387-L394 HydrophobicContact CG-CD2 4.41Å; D390-L394 PolarHBondContact O-N 2.91Å; K392-L394 VanDerWaalsContact C-N 3.35Å; K392-L394 PolarHBondContact O-N 2.86Å; L394-W398 HydrophobicContact CD1-CE3 4.47Å; L394-W398 WeakPolarHBondContact O-CB 3.3Å; L394-W398 PolarHBondContact O-N 3.48Å; L394-W440 HydrophobicContact CG-CH2 4.27Å; L394-W440 HydrophobicContact CG-CZ3 4.01Å; L394-I443 HydrophobicContact CD2-CD1 4.11Å; L394-I443 HydrophobicContact CD2-CG2 4.11Å; L394-V451 HydrophobicContact CD1-CG1 4.02Å; L394-V451 HydrophobicContact CD2-CB 3.93Å; L394-V451 HydrophobicContact CD2-CG1 4.05Å; L394-V451 HydrophobicContact CD2-CG2 3.95Å
395	K	89.3	Confident	83	Confident	120 Å²	120	60.8 Å²	60.8	52%	0.522	33%	0.329	S	S	.	.	H	α-helix	trans	-63.8	-48.3	176.1	-163.7	-174.6	177.7	-169.1	0	112	L391 K392 F397 W398 T399 W440	L391-K395 PolarHBondContact O-N 2.95Å; K392-K395 WeakPolarHBondContact O-CA 3.49Å; K392-K395 WeakPolarHBondContact O-CB 3.43Å; K392-K395 PolarHBondContact O-N 3Å; K392-K395 VanDerWaalsContact O-N 3.07Å; K395-F397 VanDerWaalsContact C-N 3.35Å; K395-F397 PolarHBondContact O-N 2.9Å; K395-W398 PolarHBondContact O-N 3.44Å; K395-T399 WeakPolarHBondContact O-CB 3.22Å; K395-T399 PolarHBondContact O-N 2.91Å; K395-T399 PolarHBondContact O-OG1 3.32Å; K395-T399 VanDerWaalsContact O-OG1 3.05Å; K395-W440 HydrophobicContact CB-CH2 3.41Å; K395-W440 VanDerWaalsContact CB-CH2 3.41Å; K395-W440 HydrophobicContact CB-CZ2 3.87Å; K395-W440 HydrophobicContact CB-CZ3 4Å; K395-W440 HydrophobicContact CD-CZ2 4.33Å; K395-W440 HydrophobicContact CG-CH2 3.79Å; K395-W440 HydrophobicContact CG-CZ2 3.85Å; K395-W440 HydrophobicContact CG-CZ3 4.23Å
396	E	87.4	Confident	81.3	Confident	93 Å²	93	66.9 Å²	66.9	44%	0.435	36%	0.356	S	S	.	.	H	α-helix	trans	-55.8	-49	177.2	-69.3	161.2	169.7	0	0	111.1	K392 S393 H400	K392-E396 WeakPolarHBondContact CE-OE1 3.15Å; K392-E396 WeakPolarHBondContact CG-OE1 3.01Å; K392-E396 IonicContact NZ-OE1 2.63Å; K392-E396 PolarHBondContact NZ-OE1 3.07Å; K392-E396 WeakPolarHBondContact O-CG 3.19Å; K392-E396 PolarHBondContact O-N 3.28Å; S393-E396 VanDerWaalsContact CA-OE2 3.3Å; S393-E396 WeakPolarHBondContact CA-OE2 3.3Å; S393-E396 PolarHBondContact OG-OE2 2.87Å; E396-H400 WeakPolarHBondContact O-CB 3.46Å; E396-H400 PolarHBondContact O-N 3.35Å; E396-H400 VanDerWaalsContact O-N 3.11Å
397	F	85.4	Confident	79.3	Confident	48 Å²	48	74.9 Å²	74.9	21%	0.211	39%	0.388	C	S	.	.	H	α-helix	trans	-67.3	-40.3	178.5	-170.1	-100.2	0	0	0	112.7	F385 S393 K395 H401 W421	F385-F397 HydrophobicContact CE1-CB 4.42Å; F385-F397 HydrophobicContact CE2-CD1 4.3Å; F385-F397 HydrophobicContact CZ-CB 3.83Å; F385-F397 HydrophobicContact CZ-CD1 4.04Å; F385-F397 AromaticContact CZ-CG 3.98Å; F385-F397 HydrophobicContact CZ-CG 3.98Å; S393-F397 VanDerWaalsContact O-CB 3.27Å; S393-F397 WeakPolarHBondContact O-CB 3.25Å; S393-F397 PolarHBondContact O-N 2.9Å; K395-F397 VanDerWaalsContact C-N 3.35Å; K395-F397 PolarHBondContact O-N 2.9Å; F397-H401 AromaticContact CE1-CD2 3.6Å; F397-H401 AromaticContact CZ-CD2 3.52Å; F397-H401 WeakPolarHBondContact O-CB 3.27Å; F397-H401 PolarHBondContact O-N 3.44Å; F397-W421 AromaticContact CD1-CH2 3.6Å; F397-W421 HydrophobicContact CD1-CH2 3.6Å; F397-W421 AromaticContact CD1-CZ2 3.72Å; F397-W421 HydrophobicContact CD1-CZ2 3.72Å; F397-W421 AromaticContact CE1-CH2 3.51Å; F397-W421 HydrophobicContact CE1-CH2 3.51Å; F397-W421 AromaticContact CE1-CZ2 3.69Å; F397-W421 HydrophobicContact CE1-CZ2 3.69Å
398	W	83.4	Confident	77.4	Confident	5 Å²	5	78.7 Å²	78.7	2%	0.019	42%	0.416	C	S	.	.	H	α-helix	trans	-63.4	-50.2	178.8	-170.7	-68.1	0	0	0	111.8	L394 K395 H400 H401 E402 W421 R438 G439 W440 I443	L394-W398 HydrophobicContact CD1-CE3 4.47Å; L394-W398 WeakPolarHBondContact O-CB 3.3Å; L394-W398 PolarHBondContact O-N 3.48Å; K395-W398 PolarHBondContact O-N 3.44Å; W398-H400 VanDerWaalsContact C-N 3.35Å; W398-H400 PolarHBondContact O-N 3.48Å; W398-H401 PolarHBondContact O-N 3.29Å; W398-H401 VanDerWaalsContact O-N 3.16Å; W398-E402 PolarHBondContact NE1-OE1 2.7Å; W398-E402 PolarHBondContact NE1-OE2 2.81Å; W398-E402 PolarHBondContact O-N 2.93Å; W398-W421 AromaticContact CE3-CD1 3.82Å; W398-W421 AromaticContact CE3-NE1 3.46Å; W398-W421 AromaticContact CH2-CD1 3.66Å; W398-W421 AromaticContact CZ3-CD1 3.13Å; W398-W421 AromaticContact CZ3-CG 3.97Å; W398-W421 HydrophobicContact CZ3-CG 3.97Å; W398-W421 AromaticContact CZ3-NE1 3.3Å; W398-W421 VanDerWaalsContact CZ3-NE1 3.3Å; W398-R438 WeakPolarHBondContact CH2-O 3.27Å; W398-R438 VanDerWaalsContact CZ2-O 3.24Å; W398-R438 WeakPolarHBondContact CZ2-O 3.44Å; W398-G439 VanDerWaalsContact CZ2-C 3.49Å; W398-W440 HydrophobicContact CB-CE3 3.98Å; W398-W440 HydrophobicContact CB-CZ3 3.9Å; W398-W440 AromaticContact CD2-CE3 3.77Å; W398-W440 HydrophobicContact CD2-CE3 3.77Å; W398-W440 HydrophobicContact CD2-CZ3 4.3Å; W398-W440 HydrophobicContact CE3-CE3 4.14Å; W398-W440 HydrophobicContact CE3-CZ3 4.42Å; W398-W440 AromaticContact CG-CE3 3.67Å; W398-W440 HydrophobicContact CG-CE3 3.67Å; W398-W440 HydrophobicContact CG-CZ3 4.09Å; W398-I443 HydrophobicContact CE3-CD1 3.89Å; W398-I443 HydrophobicContact CH2-CD1 4.33Å; W398-I443 HydrophobicContact CZ3-CD1 3.73Å
399	T	81.3	Confident	75.1	Confident	58 Å²	58	79.5 Å²	79.5	36%	0.356	42%	0.423	S	S	.	.	H	α-helix	trans	-62.5	-40.9	178.8	-56.2	0	0	0	0	111.5	K395 H401 E402 N403	K395-T399 WeakPolarHBondContact O-CB 3.22Å; K395-T399 PolarHBondContact O-N 2.91Å; K395-T399 PolarHBondContact O-OG1 3.32Å; K395-T399 VanDerWaalsContact O-OG1 3.05Å; T399-H401 PolarHBondContact O-N 3.21Å; T399-E402 PolarHBondContact O-N 3.04Å; T399-N403 WeakPolarHBondContact O-CB 3.4Å; T399-N403 VanDerWaalsContact O-CG 3.23Å; T399-N403 PolarHBondContact O-N 3.11Å; T399-N403 PolarHBondContact O-ND2 2.94Å
400	H	76.9	Confident	73.3	Confident	127 Å²	127	83.8 Å²	83.8	59%	0.588	43%	0.43	S	S	*	.	H	α-helix	trans	-61.4	-44	173.6	-171.6	-44.5	0	0	0	111.4	E396 W398 N403 T404	E396-H400 WeakPolarHBondContact O-CB 3.46Å; E396-H400 PolarHBondContact O-N 3.35Å; E396-H400 VanDerWaalsContact O-N 3.11Å; W398-H400 VanDerWaalsContact C-N 3.35Å; W398-H400 PolarHBondContact O-N 3.48Å; H400-N403 PolarHBondContact O-N 3.2Å; H400-T404 PolarHBondContact CE1-OG1 3.12Å; H400-T404 VanDerWaalsContact CE1-OG1 3.24Å; H400-T404 PolarHBondContact ND1-OG1 3Å; H400-T404 PolarHBondContact O-N 3.5Å; H400-T404 PolarHBondContact O-OG1 2.98Å; H400-T404 VanDerWaalsContact O-OG1 3.04Å
401	H	70.7	Confident	71.3	Confident	90 Å²	90	85.5 Å²	85.5	42%	0.417	44%	0.439	S	S	.	.	H	α-helix	trans	-66.4	-41	-179.2	-129	-65.5	0	0	0	112.5	F397 W398 T399 N403 T404 S405	F397-H401 AromaticContact CE1-CD2 3.6Å; F397-H401 AromaticContact CZ-CD2 3.52Å; F397-H401 WeakPolarHBondContact O-CB 3.27Å; F397-H401 PolarHBondContact O-N 3.44Å; W398-H401 PolarHBondContact O-N 3.29Å; W398-H401 VanDerWaalsContact O-N 3.16Å; T399-H401 PolarHBondContact O-N 3.21Å; H401-N403 VanDerWaalsContact C-N 3.34Å; H401-N403 PolarHBondContact O-N 2.67Å; H401-T404 PolarHBondContact O-N 2.92Å; H401-S405 VanDerWaalsContact O-CB 3.27Å; H401-S405 WeakPolarHBondContact O-CB 3.47Å; H401-S405 PolarHBondContact O-N 3.13Å; H401-S405 PolarHBondContact O-OG 2.75Å; H401-S405 VanDerWaalsContact O-OG 3.04Å
402	E	68.4	Low	69.4	Low	64 Å²	64	90.1 Å²	90.1	30%	0.299	46%	0.459	S	S	.	.	H	α-helix	trans	-61.5	-42.3	174	-74.7	-178.4	156.5	0	0	111.8	W398 T399 K406 R420	W398-E402 PolarHBondContact NE1-OE1 2.7Å; W398-E402 PolarHBondContact NE1-OE2 2.81Å; W398-E402 PolarHBondContact O-N 2.93Å; T399-E402 PolarHBondContact O-N 3.04Å; E402-K406 VanDerWaalsContact O-CB 3.32Å; E402-K406 WeakPolarHBondContact O-CB 3.47Å; E402-K406 VanDerWaalsContact O-CG 3.25Å; E402-K406 WeakPolarHBondContact O-CG 3.37Å; E402-K406 PolarHBondContact O-N 2.88Å; E402-R420 IonicContact OE1-NH1 2.69Å
403	N	63.1	Low	67.4	Low	88 Å²	88	86.8 Å²	86.8	47%	0.471	46%	0.459	S	S	.	.	H	α-helix	trans	-70.4	-37.2	179.1	-70.8	-9.8	0	0	0	113.1	T399 H400 H401	T399-N403 WeakPolarHBondContact O-CB 3.4Å; T399-N403 VanDerWaalsContact O-CG 3.23Å; T399-N403 PolarHBondContact O-N 3.11Å; T399-N403 PolarHBondContact O-ND2 2.94Å; H400-N403 PolarHBondContact O-N 3.2Å; H401-N403 VanDerWaalsContact C-N 3.34Å; H401-N403 PolarHBondContact O-N 2.67Å
404	T	61.8	Low	65.4	Low	76 Å²	76	88.7 Å²	88.7	47%	0.466	46%	0.464	S	S	.	.	H	α-helix	trans	-66.4	-48.6	173.4	-59.3	0	0	0	0	110.6	H400 H401 K406 K407	H400-T404 PolarHBondContact CE1-OG1 3.12Å; H400-T404 VanDerWaalsContact CE1-OG1 3.24Å; H400-T404 PolarHBondContact ND1-OG1 3Å; H400-T404 PolarHBondContact O-N 3.5Å; H400-T404 PolarHBondContact O-OG1 2.98Å; H400-T404 VanDerWaalsContact O-OG1 3.04Å; H401-T404 PolarHBondContact O-N 2.92Å; T404-K406 PolarHBondContact O-N 3.02Å; T404-K407 PolarHBondContact O-N 2.8Å; T404-K407 VanDerWaalsContact O-N 3.13Å
405	S	56.6	Low	63.3	Low	30 Å²	30	91.8 Å²	91.8	21%	0.21	48%	0.478	C	S	.	.	H	α-helix	trans	-65.8	-37.6	-177.4	-63.1	0	0	0	0	111.8	H401 K407 S408 F415	H401-S405 VanDerWaalsContact O-CB 3.27Å; H401-S405 WeakPolarHBondContact O-CB 3.47Å; H401-S405 PolarHBondContact O-N 3.13Å; H401-S405 PolarHBondContact O-OG 2.75Å; H401-S405 VanDerWaalsContact O-OG 3.04Å; S405-K407 PolarHBondContact O-N 2.76Å; S405-S408 PolarHBondContact O-N 2.86Å; S405-S408 VanDerWaalsContact O-N 3.08Å; S405-F415 VanDerWaalsContact CB-CZ 3.44Å; S405-F415 WeakPolarHBondContact O-CE2 3.14Å
406	K	56.2	Low	61.4	Low	145 Å²	145	92.1 Å²	92.1	63%	0.63	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-16.3	173.1	-82.5	176.4	175.5	-178.1	0	115.2	E402 T404	E402-K406 VanDerWaalsContact O-CB 3.32Å; E402-K406 WeakPolarHBondContact O-CB 3.47Å; E402-K406 VanDerWaalsContact O-CG 3.25Å; E402-K406 WeakPolarHBondContact O-CG 3.37Å; E402-K406 PolarHBondContact O-N 2.88Å; T404-K406 PolarHBondContact O-N 3.02Å
407	K	53.2	Low	59.5	Low	186 Å²	186	92.6 Å²	92.6	81%	0.809	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-2.2	176.8	-70	-172.2	174.3	-167.6	0	114.4	T404 S405	T404-K407 PolarHBondContact O-N 2.8Å; T404-K407 VanDerWaalsContact O-N 3.13Å; S405-K407 PolarHBondContact O-N 2.76Å
408	S	52.8	Low	58.1	Low	91 Å²	91	96 Å²	96	64%	0.636	49%	0.493	S	S	*	.			trans	-103.3	53.4	178.7	-155.8	0	0	0	0	110.4	S405 N410	S405-S408 PolarHBondContact O-N 2.86Å; S405-S408 VanDerWaalsContact O-N 3.08Å; S408-N410 PolarHBondContact O-N 2.95Å; S408-N410 VanDerWaalsContact O-N 3.17Å
409	S	45	Very low	56.9	Low	78 Å²	78	95.8 Å²	95.8	55%	0.545	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	32.9	-154.3	57.1	0	0	0	0	116.1
410	N	52.3	Low	56.5	Low	159 Å²	159	96.8 Å²	96.8	85%	0.85	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	-1.8	179.3	-71.2	30.9	0	0	0	113.3	S408	S408-N410 PolarHBondContact O-N 2.95Å; S408-N410 VanDerWaalsContact O-N 3.17Å
411	D	50.5	Low	57.1	Low	92 Å²	92	91.4 Å²	91.4	49%	0.492	46%	0.464	S	S	.	.			trans	-137.3	49.8	-169.9	-138.7	-15.8	0	0	0	111.4	A413 L414 F415	D411-A413 PolarHBondContact O-N 3.4Å; D411-A413 VanDerWaalsContact O-N 3.14Å; D411-L414 HydrophobicContact CB-CB 4.37Å; D411-L414 PolarHBondContact O-N 2.69Å; D411-F415 PolarHBondContact O-N 2.76Å
412	E	50.4	Low	58	Low	137 Å²	137	87.7 Å²	87.7	64%	0.64	45%	0.447	S	S	*	.	H	α-helix	trans	-46.6	-40.8	178.8	-76.8	-83.6	113.7	0	0	112.2	L414 F415	E412-L414 PolarHBondContact O-N 3.5Å; E412-F415 WeakPolarHBondContact O-CB 3.48Å; E412-F415 PolarHBondContact O-N 3.18Å
413	A	50.4	Low	59.1	Low	76 Å²	76	85.8 Å²	85.8	63%	0.628	44%	0.439	S	S	*	.	H	α-helix	trans	-64.2	-38.1	-179.9	0	0	0	0	0	113.2	D411 F417	D411-A413 PolarHBondContact O-N 3.4Å; D411-A413 VanDerWaalsContact O-N 3.14Å; A413-F417 VanDerWaalsContact O-CD2 3.29Å; A413-F417 WeakPolarHBondContact O-CD2 3.34Å
414	L	48.9	Very low	60.4	Low	100 Å²	100	82.4 Å²	82.4	52%	0.524	42%	0.42	S	S	.	.	H	α-helix	trans	-80.1	-23.7	-178.1	-139.9	77.1	0	0	0	112.7	D411 E412 H416	D411-L414 HydrophobicContact CB-CB 4.37Å; D411-L414 PolarHBondContact O-N 2.69Å; E412-L414 PolarHBondContact O-N 3.5Å; L414-H416 PolarHBondContact O-N 3.23Å
415	F	45.2	Very low	61.6	Low	65 Å²	65	79.8 Å²	79.8	29%	0.285	40%	0.404	S	S	.	.	H	α-helix	trans	-66.2	-31.4	-168.2	-160.6	-104.1	0	0	0	114.8	S405 D411 E412	S405-F415 VanDerWaalsContact CB-CZ 3.44Å; S405-F415 WeakPolarHBondContact O-CE2 3.14Å; D411-F415 PolarHBondContact O-N 2.76Å; E412-F415 WeakPolarHBondContact O-CB 3.48Å; E412-F415 PolarHBondContact O-N 3.18Å
416	H	48.8	Very low	62.8	Low	127 Å²	127	79.3 Å²	79.3	59%	0.588	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-10.3	-171.8	-76.4	-92.4	0	0	0	115	L414 R418	L414-H416 PolarHBondContact O-N 3.23Å; H416-R418 PolarHBondContact O-N 3.43Å
417	F	47.4	Very low	64	Low	102 Å²	102	75.6 Å²	75.6	45%	0.447	40%	0.396	S	S	.	.	S	Bend	trans	-95.1	24.7	-166.8	-80.4	-81.5	0	0	0	116.3	A413 T499 V501	A413-F417 VanDerWaalsContact O-CD2 3.29Å; A413-F417 WeakPolarHBondContact O-CD2 3.34Å; F417-T499 WeakPolarHBondContact O-CB 3.39Å; F417-T499 PolarHBondContact O-OG1 3.03Å; F417-V501 HydrophobicContact CD1-CG2 4.47Å; F417-V501 HydrophobicContact CE1-CG2 4.38Å
418	R	57.8	Low	64.8	Low	120 Å²	120	69 Å²	69	45%	0.453	37%	0.374	S	S	.	.			trans	-127.9	116	-174.7	-66.3	-179.9	179.1	-155.1	-2.3	113.1	H416 R420	H416-R418 PolarHBondContact O-N 3.43Å; R418-R420 PolarHBondContact O-N 2.72Å; R418-R420 VanDerWaalsContact O-N 3.14Å
419	P	56.4	Low	65.5	Low	1 Å²	1	67.1 Å²	67.1	1%	0.006	36%	0.364	C	S	.	.			trans	-68.6	107.9	168.8	28.7	-32.5	0	0	0	108.9	L436 Y454 L504	P419-L436 HydrophobicContact CB-CB 4.36Å; P419-L436 HydrophobicContact CB-CD1 3.93Å; P419-L436 HydrophobicContact CG-CD1 4.21Å; P419-Y454 HydrophobicContact CB-CD1 4.35Å; P419-Y454 HydrophobicContact CG-CD1 3.75Å; P419-Y454 HydrophobicContact CG-CE1 3.95Å; P419-L504 HydrophobicContact CB-CD1 3.94Å; P419-L504 HydrophobicContact CB-CD2 3.92Å; P419-L504 HydrophobicContact CB-CG 4.5Å; P419-L504 HydrophobicContact CG-CD1 4.27Å; P419-L504 HydrophobicContact CG-CD2 3.56Å
420	R	74.8	Confident	66.7	Low	79 Å²	79	68.3 Å²	68.3	30%	0.298	36%	0.357	S	S	.	.			trans	-74.2	-32.7	-172.1	-61.9	179.6	-176.1	172.4	0.3	112.8	E402 R418 Y454	E402-R420 IonicContact OE1-NH1 2.69Å; R418-R420 PolarHBondContact O-N 2.72Å; R418-R420 VanDerWaalsContact O-N 3.14Å; R420-Y454 PolarHBondContact O-N 3.03Å; R420-Y454 VanDerWaalsContact O-N 3.11Å
421	W	87.9	Confident	67.4	Low	13 Å²	13	61.2 Å²	61.2	5%	0.049	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	152.6	-170.9	-54	91.7	0	0	0	112.9	F385 F397 W398 I437 V451 Q452 S453	F385-W421 HydrophobicContact CD2-CH2 4.43Å; F385-W421 HydrophobicContact CD2-CZ3 4.02Å; F385-W421 AromaticContact CE2-CH2 3.68Å; F385-W421 HydrophobicContact CE2-CH2 3.68Å; F385-W421 AromaticContact CE2-CZ3 3.68Å; F385-W421 HydrophobicContact CE2-CZ3 3.68Å; F397-W421 AromaticContact CD1-CH2 3.6Å; F397-W421 HydrophobicContact CD1-CH2 3.6Å; F397-W421 AromaticContact CD1-CZ2 3.72Å; F397-W421 HydrophobicContact CD1-CZ2 3.72Å; F397-W421 AromaticContact CE1-CH2 3.51Å; F397-W421 HydrophobicContact CE1-CH2 3.51Å; F397-W421 AromaticContact CE1-CZ2 3.69Å; F397-W421 HydrophobicContact CE1-CZ2 3.69Å; W398-W421 AromaticContact CE3-CD1 3.82Å; W398-W421 AromaticContact CE3-NE1 3.46Å; W398-W421 AromaticContact CH2-CD1 3.66Å; W398-W421 AromaticContact CZ3-CD1 3.13Å; W398-W421 AromaticContact CZ3-CG 3.97Å; W398-W421 HydrophobicContact CZ3-CG 3.97Å; W398-W421 AromaticContact CZ3-NE1 3.3Å; W398-W421 VanDerWaalsContact CZ3-NE1 3.3Å; W421-I437 HydrophobicContact CB-CD1 4.06Å; W421-I437 HydrophobicContact CB-CG1 3.62Å; W421-I437 PolarHBondContact O-N 3.35Å; W421-V451 HydrophobicContact CB-CG1 4.02Å; W421-V451 HydrophobicContact CD2-CG1 4.08Å; W421-V451 HydrophobicContact CE3-CG1 3.82Å; W421-V451 HydrophobicContact CG-CG1 4.16Å; W421-Q452 CarbonylContact C-O 2.86Å; W421-Q452 WeakPolarHBondContact CA-O 3.42Å; W421-Q452 VanDerWaalsContact CE3-C 3.43Å; W421-S453 VanDerWaalsContact CE3-CA 3.49Å; W421-S453 VanDerWaalsContact CE3-N 3.32Å
422	I	89.9	Confident	68.4	Low	13 Å²	13	61.1 Å²	61.1	7%	0.067	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	122.1	170.9	-171.3	165.8	0	0	0	109.4	K424 V434 L436 Q452 Y454	I422-K424 HydrophobicContact CG1-CG 4.37Å; I422-V434 HydrophobicContact CD1-CG1 3.58Å; I422-V434 HydrophobicContact CG1-CG1 3.7Å; I422-L436 HydrophobicContact CB-CD2 3.87Å; I422-L436 HydrophobicContact CD1-CD2 4.06Å; I422-L436 HydrophobicContact CG1-CD2 3.95Å; I422-Q452 HydrophobicContact CG2-CB 4.02Å; I422-Q452 HydrophobicContact CG2-CG 4.32Å; I422-Q452 WeakPolarHBondContact CG2-O 3.44Å; I422-Q452 PolarHBondContact N-O 2.97Å; I422-Q452 PolarHBondContact O-N 2.92Å; I422-Y454 HydrophobicContact CB-CD2 3.92Å; I422-Y454 HydrophobicContact CD1-CD2 4.03Å; I422-Y454 HydrophobicContact CD1-CE2 4.15Å; I422-Y454 HydrophobicContact CG2-CD2 4.15Å
423	M	90.9	Very high	69.7	Low	23 Å²	23	57 Å²	57	11%	0.113	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	128.6	171.5	-179.3	168.8	53.2	0	0	109.2	V434 K435 I437 P444 V449 I450	M423-V434 WeakPolarHBondContact O-CA 3.49Å; M423-K435 HydrophobicContact CE-CB 4.43Å; M423-K435 PolarHBondContact N-O 3.41Å; M423-K435 PolarHBondContact O-N 3.4Å; M423-I437 HydrophobicContact CB-CG2 4.04Å; M423-I437 HydrophobicContact CE-CG2 4.17Å; M423-P444 VanDerWaalsContact SD-CD 3.59Å; M423-P444 HydrophobicContact SD-CG 3.9Å; M423-V449 HydrophobicContact CG-CB 4.03Å; M423-V449 HydrophobicContact CG-CG1 4.4Å; M423-V449 HydrophobicContact CG-CG2 4.18Å; M423-V449 HydrophobicContact SD-CB 4.1Å; M423-V449 HydrophobicContact SD-CG1 4.07Å; M423-V449 HydrophobicContact SD-CG2 3.87Å; M423-I450 CarbonylContact C-O 3.37Å; M423-I450 VanDerWaalsContact CA-O 3.32Å; M423-I450 WeakPolarHBondContact CA-O 3.18Å
424	K	90.8	Very high	71.1	Confident	18 Å²	18	54.7 Å²	54.7	8%	0.078	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.9	178.5	-64.1	176.6	172.8	177.9	0	109.8	K359 I422 V434 I450 L603	K359-K424 HydrophobicContact CD-CB 4.46Å; I422-K424 HydrophobicContact CG1-CG 4.37Å; K424-V434 HydrophobicContact CG-CG1 4.32Å; K424-V434 HydrophobicContact CG-CG2 4.33Å; K424-I450 HydrophobicContact CB-CB 4.5Å; K424-I450 PolarHBondContact N-O 2.95Å; K424-I450 PolarHBondContact O-N 2.99Å; K424-L603 PolarHBondContact NZ-O 3Å
425	P	88.2	Confident	72.8	Confident	21 Å²	21	56.5 Å²	56.5	14%	0.136	30%	0.295	C	S	.	.			trans	-69.8	150.7	166.2	30.8	-36.1	0	0	0	110.8	K359 A427 S428 I432	K359-P425 VanDerWaalsContact CD-O 3.27Å; K359-P425 WeakPolarHBondContact CD-O 3.35Å; P425-A427 VanDerWaalsContact C-N 3.34Å; P425-A427 PolarHBondContact O-N 2.91Å; P425-S428 WeakPolarHBondContact CB-OG 3.42Å; P425-S428 VanDerWaalsContact CG-CB 3.46Å; P425-S428 VanDerWaalsContact CG-OG 3.27Å; P425-S428 WeakPolarHBondContact CG-OG 2.88Å; P425-I432 WeakPolarHBondContact CG-O 3.42Å
426	P	81.2	Confident	74.6	Confident	19 Å²	19	55.1 Å²	55.1	12%	0.123	29%	0.29	C	S	.	.	S	Bend	trans	-67.8	-26.4	-171.3	-23.8	35	0	0	0	116.2	K359 D360 R448 I450	K359-P426 PolarHBondContact N-O 2.98Å; K359-P426 VanDerWaalsContact N-O 3.11Å; D360-P426 HydrophobicContact CB-CB 4.07Å; P426-R448 VanDerWaalsContact CD-O 3.3Å; P426-R448 WeakPolarHBondContact CD-O 3.45Å; P426-R448 HydrophobicContact CG-CB 4.39Å; P426-I450 HydrophobicContact CB-CD1 4.19Å; P426-I450 HydrophobicContact CB-CG1 4.5Å; P426-I450 HydrophobicContact CG-CG1 4.33Å
427	A	80.2	Confident	76.2	Confident	67 Å²	67	49.3 Å²	49.3	55%	0.554	26%	0.264	S	S	*	.	S	Bend	trans	-137.5	12.3	-167.6	0	0	0	0	0	114.4	P425	P425-A427 VanDerWaalsContact C-N 3.34Å; P425-A427 PolarHBondContact O-N 2.91Å
428	S	71.3	Confident	77.5	Confident	48 Å²	48	49.3 Å²	49.3	34%	0.336	26%	0.261	S	S	.	.			trans	-94.2	154.1	175.6	-39.6	0	0	0	0	111.8	K359 P425	K359-S428 PolarHBondContact NZ-O 2.89Å; P425-S428 WeakPolarHBondContact CB-OG 3.42Å; P425-S428 VanDerWaalsContact CG-CB 3.46Å; P425-S428 VanDerWaalsContact CG-OG 3.27Å; P425-S428 WeakPolarHBondContact CG-OG 2.88Å
429	A	66.5	Low	78.4	Confident	52 Å²	52	44.6 Å²	44.6	43%	0.43	25%	0.249	S	C	.	.			trans	-117.1	-165.5	176.4	0	0	0	0	0	110.8	G431 I432	A429-G431 PolarHBondContact O-N 2.85Å; A429-I432 PolarHBondContact O-N 2.85Å
430	R	70.1	Confident	79.7	Confident	103 Å²	103	48.1 Å²	48.1	39%	0.389	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	3.7	176.3	-63.5	-167.5	-75.8	-173.2	-9.4	116.6	D214 I432 S515 V516	D214-R430 IonicContact OD1-NH1 3.03Å; D214-R430 IonicContact OD2-CZ 2.95Å; D214-R430 IonicContact OD2-NH1 2.89Å; D214-R430 PolarHBondContact OD2-NH1 2.95Å; R430-I432 HydrophobicContact CB-CD1 4.13Å; R430-I432 HydrophobicContact CB-CG1 4.15Å; R430-S515 WeakPolarHBondContact CA-OG 3.37Å; R430-S515 PolarHBondContact O-OG 3.1Å; R430-S515 VanDerWaalsContact O-OG 3.05Å; R430-V516 WeakPolarHBondContact O-CG2 3.32Å
431	G	68.2	Low	80.2	Confident	9 Å²	9	49.4 Å²	49.4	9%	0.093	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	5.2	-171.8	0	0	0	0	0	114.5	A429 V434 N513	A429-G431 PolarHBondContact O-N 2.85Å; G431-V434 WeakPolarHBondContact O-CB 3.34Å; G431-V434 PolarHBondContact O-N 2.82Å; G431-N513 PolarHBondContact N-ND2 2.9Å
432	I	71.5	Confident	79.9	Confident	90 Å²	90	52 Å²	52	46%	0.462	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	135.2	-178.1	-61.6	170.2	0	0	0	110	P425 A429 R430 V434	P425-I432 WeakPolarHBondContact CG-O 3.42Å; A429-I432 PolarHBondContact O-N 2.85Å; R430-I432 HydrophobicContact CB-CD1 4.13Å; R430-I432 HydrophobicContact CB-CG1 4.15Å; I432-V434 PolarHBondContact O-N 2.7Å
433	G	76.3	Confident	79.7	Confident	50 Å²	50	51.9 Å²	51.9	52%	0.515	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	0.8	179.8	0	0	0	0	0	115.8
434	V	80.2	Confident	79.5	Confident	28 Å²	28	52.4 Å²	52.4	17%	0.17	30%	0.303	C	S	.	.			trans	-79.1	128.5	179.2	-177.8	0	0	0	0	110.4	I422 M423 K424 G431 I432 L511	I422-V434 HydrophobicContact CD1-CG1 3.58Å; I422-V434 HydrophobicContact CG1-CG1 3.7Å; M423-V434 WeakPolarHBondContact O-CA 3.49Å; K424-V434 HydrophobicContact CG-CG1 4.32Å; K424-V434 HydrophobicContact CG-CG2 4.33Å; G431-V434 WeakPolarHBondContact O-CB 3.34Å; G431-V434 PolarHBondContact O-N 2.82Å; I432-V434 PolarHBondContact O-N 2.7Å; V434-L511 HydrophobicContact CG1-CD2 3.98Å
435	K	84.1	Confident	79.2	Confident	139 Å²	139	58.8 Å²	58.8	60%	0.604	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.3	140	-179.9	-63.4	-173.4	179.1	-175.6	0	111	M423	M423-K435 HydrophobicContact CE-CB 4.43Å; M423-K435 PolarHBondContact N-O 3.41Å; M423-K435 PolarHBondContact O-N 3.4Å
436	L	83.7	Confident	79.1	Confident	36 Å²	36	66.2 Å²	66.2	19%	0.188	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	137.4	163.7	-62	-177.7	0	0	0	109	P419 I422 Y454 L504 H510	P419-L436 HydrophobicContact CB-CB 4.36Å; P419-L436 HydrophobicContact CB-CD1 3.93Å; P419-L436 HydrophobicContact CG-CD1 4.21Å; I422-L436 HydrophobicContact CB-CD2 3.87Å; I422-L436 HydrophobicContact CD1-CD2 4.06Å; I422-L436 HydrophobicContact CG1-CD2 3.95Å; L436-Y454 HydrophobicContact CD2-CD1 4.34Å; L436-Y454 HydrophobicContact CD2-CD2 3.5Å; L436-Y454 HydrophobicContact CD2-CE1 4.45Å; L436-Y454 HydrophobicContact CD2-CE2 3.62Å; L436-Y454 HydrophobicContact CD2-CG 3.86Å; L436-L504 HydrophobicContact CD1-CD2 4.14Å; L436-H510 HydrophobicContact CD1-CB 4.13Å
437	I	82.7	Confident	79.4	Confident	5 Å²	5	74.2 Å²	74.2	3%	0.026	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	149.9	179.3	68.4	174.5	0	0	0	110.5	W421 M423 D442 I443 V451	W421-I437 HydrophobicContact CB-CD1 4.06Å; W421-I437 HydrophobicContact CB-CG1 3.62Å; W421-I437 PolarHBondContact O-N 3.35Å; M423-I437 HydrophobicContact CB-CG2 4.04Å; M423-I437 HydrophobicContact CE-CG2 4.17Å; I437-D442 HydrophobicContact CB-CB 3.68Å; I437-D442 HydrophobicContact CG2-CB 3.72Å; I437-I443 HydrophobicContact CD1-CG1 3.82Å; I437-V451 HydrophobicContact CD1-CG1 4.02Å; I437-V451 HydrophobicContact CD1-CG2 4.29Å
438	R	75.2	Confident	79.9	Confident	102 Å²	102	80 Å²	80	39%	0.385	40%	0.399	S	S	.	.			trans	-125.1	-38.9	-176.3	-54.8	-173.2	-157.3	169	4.9	113.1	W398 D442 V501	W398-R438 WeakPolarHBondContact CH2-O 3.27Å; W398-R438 VanDerWaalsContact CZ2-O 3.24Å; W398-R438 WeakPolarHBondContact CZ2-O 3.44Å; R438-D442 PolarHBondContact N-OD2 3.07Å; R438-V501 PolarHBondContact NH2-O 2.82Å
439	G	76.7	Confident	80.9	Confident	21 Å²	21	78.1 Å²	78.1	22%	0.216	39%	0.385	C	S	.	.	S	Bend	trans	-108.4	156.8	-175.2	0	0	0	0	0	112.4	W398 S441 D442	W398-G439 VanDerWaalsContact CZ2-C 3.49Å; G439-S441 PolarHBondContact O-N 2.87Å; G439-D442 PolarHBondContact N-OD2 3.47Å; G439-D442 WeakPolarHBondContact O-CB 3.43Å; G439-D442 PolarHBondContact O-N 3.15Å; G439-D442 VanDerWaalsContact O-N 3.08Å
440	W	84	Confident	82.2	Confident	75 Å²	75	75.8 Å²	75.8	28%	0.284	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-60.1	-25.3	170.6	-173.2	-96.1	0	0	0	112.3	L391 L394 K395 W398 D442 I443	L391-W440 HydrophobicContact CD1-CH2 4.19Å; L391-W440 HydrophobicContact CD1-CZ2 4.21Å; L394-W440 HydrophobicContact CG-CH2 4.27Å; L394-W440 HydrophobicContact CG-CZ3 4.01Å; K395-W440 HydrophobicContact CB-CH2 3.41Å; K395-W440 VanDerWaalsContact CB-CH2 3.41Å; K395-W440 HydrophobicContact CB-CZ2 3.87Å; K395-W440 HydrophobicContact CB-CZ3 4Å; K395-W440 HydrophobicContact CD-CZ2 4.33Å; K395-W440 HydrophobicContact CG-CH2 3.79Å; K395-W440 HydrophobicContact CG-CZ2 3.85Å; K395-W440 HydrophobicContact CG-CZ3 4.23Å; W398-W440 HydrophobicContact CB-CE3 3.98Å; W398-W440 HydrophobicContact CB-CZ3 3.9Å; W398-W440 AromaticContact CD2-CE3 3.77Å; W398-W440 HydrophobicContact CD2-CE3 3.77Å; W398-W440 HydrophobicContact CD2-CZ3 4.3Å; W398-W440 HydrophobicContact CE3-CE3 4.14Å; W398-W440 HydrophobicContact CE3-CZ3 4.42Å; W398-W440 AromaticContact CG-CE3 3.67Å; W398-W440 HydrophobicContact CG-CE3 3.67Å; W398-W440 HydrophobicContact CG-CZ3 4.09Å; W440-D442 PolarHBondContact O-N 2.95Å; W440-I443 HydrophobicContact CD2-CD1 3.97Å; W440-I443 HydrophobicContact CE3-CD1 3.46Å; W440-I443 VanDerWaalsContact CE3-CD1 3.46Å; W440-I443 HydrophobicContact CH2-CD1 4.27Å; W440-I443 HydrophobicContact CZ3-CD1 3.64Å; W440-I443 PolarHBondContact O-N 3.33Å
441	S	84.1	Confident	83.3	Confident	105 Å²	105	70.9 Å²	70.9	73%	0.734	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-52.8	-33.3	170.6	48.6	0	0	0	0	114.4	G439 I443	G439-S441 PolarHBondContact O-N 2.87Å; S441-I443 PolarHBondContact O-N 2.66Å
442	D	82.5	Confident	84.5	Confident	68 Å²	68	71.1 Å²	71.1	36%	0.364	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-81.4	-9	-169.7	-51.6	-19.6	0	0	0	112.1	I437 R438 G439 W440 P444	I437-D442 HydrophobicContact CB-CB 3.68Å; I437-D442 HydrophobicContact CG2-CB 3.72Å; R438-D442 PolarHBondContact N-OD2 3.07Å; G439-D442 PolarHBondContact N-OD2 3.47Å; G439-D442 WeakPolarHBondContact O-CB 3.43Å; G439-D442 PolarHBondContact O-N 3.15Å; G439-D442 VanDerWaalsContact O-N 3.08Å; W440-D442 PolarHBondContact O-N 2.95Å; D442-P444 WeakPolarHBondContact O-CD 3.43Å
443	I	85.7	Confident	85.4	Confident	10 Å²	10	68.4 Å²	68.4	5%	0.051	34%	0.335	C	S	.	.	S	Bend	trans	-92.7	113.8	-169.5	-59.2	170.3	0	0	0	110.2	L387 L391 L394 W398 I437 W440 S441 K445	L387-I443 HydrophobicContact CD1-CG2 3.45Å; L387-I443 VanDerWaalsContact CD1-CG2 3.45Å; L391-I443 HydrophobicContact CD1-CG2 4.09Å; L394-I443 HydrophobicContact CD2-CD1 4.11Å; L394-I443 HydrophobicContact CD2-CG2 4.11Å; W398-I443 HydrophobicContact CE3-CD1 3.89Å; W398-I443 HydrophobicContact CH2-CD1 4.33Å; W398-I443 HydrophobicContact CZ3-CD1 3.73Å; I437-I443 HydrophobicContact CD1-CG1 3.82Å; W440-I443 HydrophobicContact CD2-CD1 3.97Å; W440-I443 HydrophobicContact CE3-CD1 3.46Å; W440-I443 VanDerWaalsContact CE3-CD1 3.46Å; W440-I443 HydrophobicContact CH2-CD1 4.27Å; W440-I443 HydrophobicContact CZ3-CD1 3.64Å; W440-I443 PolarHBondContact O-N 3.33Å; S441-I443 PolarHBondContact O-N 2.66Å; I443-K445 PolarHBondContact O-N 3.21Å
444	P	86.3	Confident	86.1	Confident	34 Å²	34	67 Å²	67	22%	0.221	31%	0.314	C	S	.	.			trans	-75.1	117.3	179.6	31.2	-34.6	0	0	0	110.8	M423 D442 Q446 R447 V449	M423-P444 VanDerWaalsContact SD-CD 3.59Å; M423-P444 HydrophobicContact SD-CG 3.9Å; D442-P444 WeakPolarHBondContact O-CD 3.43Å; P444-Q446 VanDerWaalsContact C-N 3.31Å; P444-Q446 PolarHBondContact O-N 3.15Å; P444-R447 HydrophobicContact CB-CB 3.75Å; P444-R447 HydrophobicContact CG-CB 3.99Å; P444-V449 HydrophobicContact CG-CG1 4.07Å; P444-V449 HydrophobicContact CG-CG2 3.67Å
445	K	84.9	Confident	86.7	Confident	152 Å²	152	66.7 Å²	66.7	66%	0.661	31%	0.311	S	S	*	.	S	Bend	trans	-64.5	-27.9	-172.9	-60.1	173.3	-174.5	170.8	0	114.6	L391 I443	L391-K445 HydrophobicContact CD2-CB 4.23Å; I443-K445 PolarHBondContact O-N 3.21Å
446	Q	85.1	Confident	86.9	Confident	177 Å²	177	62 Å²	62	83%	0.827	29%	0.293	S	S	*	.	S	Bend	trans	-118.4	-23.9	-175.9	-65.6	-178.8	-3.4	0	0	114.4	P444	P444-Q446 VanDerWaalsContact C-N 3.31Å; P444-Q446 PolarHBondContact O-N 3.15Å
447	R	87.8	Confident	87.2	Confident	187 Å²	187	65.4 Å²	65.4	71%	0.706	31%	0.308	S	S	*	.	S	Bend	trans	-69.2	135.9	-176	-168.3	-179.6	176.2	117.5	-1.1	109.9	P444 V449	P444-R447 HydrophobicContact CB-CB 3.75Å; P444-R447 HydrophobicContact CG-CB 3.99Å; R447-V449 HydrophobicContact CB-CG1 4.33Å; R447-V449 HydrophobicContact CG-CG1 4Å; R447-V449 PolarHBondContact O-N 2.79Å
448	R	90.7	Very high	87.8	Confident	190 Å²	190	65.5 Å²	65.5	72%	0.717	31%	0.308	S	S	*	.			trans	-68.1	101.6	172.7	-64.9	-175.7	-174.4	-134.2	2.7	110.1	L387 P426	L387-R448 WeakPolarHBondContact O-CA 3.28Å; P426-R448 VanDerWaalsContact CD-O 3.3Å; P426-R448 WeakPolarHBondContact CD-O 3.45Å; P426-R448 HydrophobicContact CG-CB 4.39Å
449	V	92.3	Very high	88.8	Confident	7 Å²	7	62.8 Å²	62.8	4%	0.042	30%	0.299	C	S	.	.			trans	-140.3	167.4	177	-58.9	0	0	0	0	109.7	L387 M423 P444 R447	L387-V449 HydrophobicContact CB-CG2 3.99Å; L387-V449 WeakPolarHBondContact CB-O 3.3Å; L387-V449 HydrophobicContact CD1-CG2 3.85Å; L387-V449 HydrophobicContact CG-CG2 4.23Å; L387-V449 PolarHBondContact N-O 2.81Å; M423-V449 HydrophobicContact CG-CB 4.03Å; M423-V449 HydrophobicContact CG-CG1 4.4Å; M423-V449 HydrophobicContact CG-CG2 4.18Å; M423-V449 HydrophobicContact SD-CB 4.1Å; M423-V449 HydrophobicContact SD-CG1 4.07Å; M423-V449 HydrophobicContact SD-CG2 3.87Å; P444-V449 HydrophobicContact CG-CG1 4.07Å; P444-V449 HydrophobicContact CG-CG2 3.67Å; R447-V449 HydrophobicContact CB-CG1 4.33Å; R447-V449 HydrophobicContact CG-CG1 4Å; R447-V449 PolarHBondContact O-N 2.79Å
450	I	93.1	Very high	89.8	Confident	3 Å²	3	64.7 Å²	64.7	2%	0.015	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126.6	175.6	-62.3	175.2	0	0	0	107.4	K359 D360 T384 F385 M423 K424 P426	K359-I450 VanDerWaalsContact C-CD1 3.42Å; K359-I450 HydrophobicContact CB-CD1 3.33Å; D360-I450 HydrophobicContact CB-CD1 4Å; D360-I450 VanDerWaalsContact N-CD1 3.33Å; T384-I450 HydrophobicContact CG2-CG2 3.22Å; F385-I450 WeakPolarHBondContact O-CA 3.26Å; M423-I450 CarbonylContact C-O 3.37Å; M423-I450 VanDerWaalsContact CA-O 3.32Å; M423-I450 WeakPolarHBondContact CA-O 3.18Å; K424-I450 HydrophobicContact CB-CB 4.5Å; K424-I450 PolarHBondContact N-O 2.95Å; K424-I450 PolarHBondContact O-N 2.99Å; P426-I450 HydrophobicContact CB-CD1 4.19Å; P426-I450 HydrophobicContact CB-CG1 4.5Å; P426-I450 HydrophobicContact CG-CG1 4.33Å
451	V	93.3	Very high	90.3	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	117.4	172.4	177	0	0	0	0	107.6	T384 F385 L387 L394 W421 I437	T384-V451 CarbonylContact C-O 3.5Å; T384-V451 WeakPolarHBondContact CA-O 3.4Å; F385-V451 PolarHBondContact N-O 2.78Å; F385-V451 PolarHBondContact O-N 3.09Å; L387-V451 HydrophobicContact CD1-CG2 3.78Å; L387-V451 HydrophobicContact CG-CG2 4.36Å; L394-V451 HydrophobicContact CD1-CG1 4.02Å; L394-V451 HydrophobicContact CD2-CB 3.93Å; L394-V451 HydrophobicContact CD2-CG1 4.05Å; L394-V451 HydrophobicContact CD2-CG2 3.95Å; W421-V451 HydrophobicContact CB-CG1 4.02Å; W421-V451 HydrophobicContact CD2-CG1 4.08Å; W421-V451 HydrophobicContact CE3-CG1 3.82Å; W421-V451 HydrophobicContact CG-CG1 4.16Å; I437-V451 HydrophobicContact CD1-CG1 4.02Å; I437-V451 HydrophobicContact CD1-CG2 4.29Å
452	Q	93.7	Very high	90.6	Very high	14 Å²	14	61.8 Å²	61.8	7%	0.065	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	141.2	-174.1	175.1	171.3	78.1	0	0	110.2	P382 R383 T384 W421 I422 Y454	P382-Q452 HydrophobicContact CB-CG 3.78Å; R383-Q452 CarbonylContact O-C 3.42Å; R383-Q452 WeakPolarHBondContact O-CA 3.39Å; T384-Q452 HydrophobicContact CG2-CB 4.39Å; T384-Q452 WeakPolarHBondContact OG1-CG 3.11Å; T384-Q452 PolarHBondContact OG1-NE2 3.02Å; W421-Q452 CarbonylContact C-O 2.86Å; W421-Q452 WeakPolarHBondContact CA-O 3.42Å; W421-Q452 VanDerWaalsContact CE3-C 3.43Å; I422-Q452 HydrophobicContact CG2-CB 4.02Å; I422-Q452 HydrophobicContact CG2-CG 4.32Å; I422-Q452 WeakPolarHBondContact CG2-O 3.44Å; I422-Q452 PolarHBondContact N-O 2.97Å; I422-Q452 PolarHBondContact O-N 2.92Å; Q452-Y454 PolarHBondContact O-N 3.04Å
453	S	91.3	Very high	91.1	Very high	34 Å²	34	59.9 Å²	59.9	24%	0.238	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	129.6	177.9	58.2	0	0	0	0	109.5	P382 R383 W421	P382-S453 WeakPolarHBondContact CB-O 3.22Å; P382-S453 WeakPolarHBondContact CB-OG 3.49Å; R383-S453 PolarHBondContact N-OG 3.29Å; R383-S453 PolarHBondContact O-N 2.88Å; R383-S453 PolarHBondContact O-OG 3.11Å; W421-S453 VanDerWaalsContact CE3-CA 3.49Å; W421-S453 VanDerWaalsContact CE3-N 3.32Å
454	Y	91.5	Very high	91.4	Very high	19 Å²	19	60.9 Å²	60.9	8%	0.075	29%	0.286	C	S	.	.			trans	-84.2	130.5	-177.4	-175.3	-106.8	0	0	0	111	P419 R420 I422 L436 Q452 N456 K465 Y497 H510	P419-Y454 HydrophobicContact CB-CD1 4.35Å; P419-Y454 HydrophobicContact CG-CD1 3.75Å; P419-Y454 HydrophobicContact CG-CE1 3.95Å; R420-Y454 PolarHBondContact O-N 3.03Å; R420-Y454 VanDerWaalsContact O-N 3.11Å; I422-Y454 HydrophobicContact CB-CD2 3.92Å; I422-Y454 HydrophobicContact CD1-CD2 4.03Å; I422-Y454 HydrophobicContact CD1-CE2 4.15Å; I422-Y454 HydrophobicContact CG2-CD2 4.15Å; L436-Y454 HydrophobicContact CD2-CD1 4.34Å; L436-Y454 HydrophobicContact CD2-CD2 3.5Å; L436-Y454 HydrophobicContact CD2-CE1 4.45Å; L436-Y454 HydrophobicContact CD2-CE2 3.62Å; L436-Y454 HydrophobicContact CD2-CG 3.86Å; Q452-Y454 PolarHBondContact O-N 3.04Å; Y454-N456 HydrophobicContact CD1-CB 4.24Å; Y454-N456 PolarHBondContact O-N 2.74Å; Y454-K465 PolarHBondContact OH-NZ 3.16Å; Y454-K465 VanDerWaalsContact OH-NZ 3.11Å; Y454-Y497 WeakPolarHBondContact CE1-OH 3.5Å; Y454-H510 AromaticContact CZ-ND1 3.83Å; Y454-H510 PolarHBondContact OH-ND1 3.41Å
455	I	91.8	Very high	91.8	Very high	22 Å²	22	60 Å²	60	11%	0.113	28%	0.278	C	S	.	.			trans	-72.6	99.6	171.2	-62	165.7	0	0	0	107	P382 I593 D595 W601 L603	P382-I455 HydrophobicContact CG-CD1 3.93Å; P382-I455 HydrophobicContact CG-CG1 4.26Å; I455-I593 HydrophobicContact CD1-CG2 3.5Å; I455-I593 VanDerWaalsContact CD1-CG2 3.5Å; I455-D595 HydrophobicContact CG2-CB 4.14Å; I455-W601 HydrophobicContact CD1-CB 3.57Å; I455-W601 HydrophobicContact CD1-CD2 4.08Å; I455-W601 HydrophobicContact CD1-CG 3.53Å; I455-L603 HydrophobicContact CD1-CD2 4.43Å
456	N	88	Confident	92.3	Very high	42 Å²	42	52.8 Å²	52.8	23%	0.225	25%	0.247	C	C	.	.			trans	-89.1	-16.8	-173	63.7	-36.3	0	0	0	113.3	Y454 P458 Y497	Y454-N456 HydrophobicContact CD1-CB 4.24Å; Y454-N456 PolarHBondContact O-N 2.74Å; N456-P458 WeakPolarHBondContact O-CD 3.34Å; N456-Y497 VanDerWaalsContact C-OH 3.29Å; N456-Y497 WeakPolarHBondContact CA-OH 3.09Å; N456-Y497 WeakPolarHBondContact O-CE1 3.24Å; N456-Y497 PolarHBondContact O-OH 3.29Å
457	Q	91.6	Very high	92.8	Very high	107 Å²	107	44.5 Å²	44.5	50%	0.5	21%	0.208	S	C	.	.	S	Bend	trans	-119.3	68.2	173	-68.6	169.9	-108.2	0	0	109.8	D595 A596	Q457-D595 CarbonylContact O-C 3.49Å; Q457-D595 WeakPolarHBondContact O-CA 3.4Å; Q457-D595 WeakPolarHBondContact O-CB 3.36Å; Q457-A596 HydrophobicContact CB-CB 4.36Å; Q457-A596 PolarHBondContact O-N 3.4Å
458	P	94.8	Very high	93.3	Very high	6 Å²	6	35.6 Å²	35.6	4%	0.039	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-66.2	156.5	170.8	31.7	-35.8	0	0	0	110.8	N456 L460 K465 Y497 I593 L594	N456-P458 WeakPolarHBondContact O-CD 3.34Å; P458-L460 HydrophobicContact CG-CD2 3.96Å; P458-K465 HydrophobicContact CB-CG 4.25Å; P458-K465 HydrophobicContact CG-CD 4.3Å; P458-K465 HydrophobicContact CG-CG 4.17Å; P458-Y497 HydrophobicContact CG-CD1 4.17Å; P458-Y497 HydrophobicContact CG-CD2 4.22Å; P458-Y497 HydrophobicContact CG-CE1 3.86Å; P458-Y497 HydrophobicContact CG-CE2 3.92Å; P458-Y497 HydrophobicContact CG-CG 4.33Å; P458-I593 HydrophobicContact CB-CD1 4.06Å; P458-L594 WeakPolarHBondContact CA-O 3.34Å
459	Y	96.6	Very high	93.6	Very high	45 Å²	45	27.4 Å²	27.4	18%	0.176	14%	0.144	C	C	.	.			trans	-63	140.6	163	-165.4	-108.3	0	0	0	109.1	I461 F466 Y540 L541 L594 D595 L598	Y459-I461 HydrophobicContact CD1-CG1 4.25Å; Y459-I461 HydrophobicContact CE1-CD1 4.44Å; Y459-I461 HydrophobicContact CE1-CG1 4.03Å; Y459-F466 AromaticContact CD1-CE1 3.76Å; Y459-F466 HydrophobicContact CD1-CE1 3.76Å; Y459-F466 AromaticContact CD1-CZ 3.86Å; Y459-F466 HydrophobicContact CD1-CZ 3.86Å; Y459-Y540 HydrophobicContact CE1-CE1 4.13Å; Y459-L541 HydrophobicContact CD1-CD2 4.41Å; Y459-L541 HydrophobicContact CE1-CD2 3.61Å; Y459-L594 PolarHBondContact N-O 2.88Å; Y459-D595 WeakPolarHBondContact CB-O 3.45Å; Y459-L598 HydrophobicContact CD1-CD2 4.16Å; Y459-L598 HydrophobicContact CD2-CD2 3.56Å; Y459-L598 HydrophobicContact CD2-CG 4.34Å; Y459-L598 HydrophobicContact CE1-CD2 4.37Å; Y459-L598 HydrophobicContact CE2-CD2 3.78Å; Y459-L598 HydrophobicContact CE2-CG 4.42Å; Y459-L598 HydrophobicContact CG-CD2 3.78Å
460	L	96	Very high	93.9	Very high	62 Å²	62	27 Å²	27	33%	0.325	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	143.1	-175.4	-62.5	-179.4	0	0	0	110.9	P458 K465 Y497	P458-L460 HydrophobicContact CG-CD2 3.96Å; L460-K465 HydrophobicContact CD2-CB 4.15Å; L460-Y497 HydrophobicContact CD1-CD1 4.12Å; L460-Y497 HydrophobicContact CD1-CG 4.48Å; L460-Y497 HydrophobicContact CD2-CD1 4.08Å; L460-Y497 HydrophobicContact CD2-CG 3.84Å
461	I	94.8	Very high	94.2	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	123.4	175.8	-66	-180	0	0	0	105.9	Y459 G463 K464 F466 F492 W532 L537 Y540	Y459-I461 HydrophobicContact CD1-CG1 4.25Å; Y459-I461 HydrophobicContact CE1-CD1 4.44Å; Y459-I461 HydrophobicContact CE1-CG1 4.03Å; I461-G463 PolarHBondContact O-N 3.19Å; I461-K464 PolarHBondContact N-O 2.72Å; I461-K464 VanDerWaalsContact N-O 3.11Å; I461-K464 WeakPolarHBondContact O-CA 3.42Å; I461-K464 PolarHBondContact O-N 3.4Å; I461-F466 HydrophobicContact CD1-CD1 4Å; I461-F466 HydrophobicContact CD1-CE1 3.64Å; I461-F466 HydrophobicContact CD1-CZ 4.1Å; I461-F466 HydrophobicContact CG1-CD1 4.14Å; I461-F466 HydrophobicContact CG1-CE1 3.77Å; I461-F492 HydrophobicContact CB-CE1 3.96Å; I461-F492 HydrophobicContact CD1-CE1 4.41Å; I461-F492 HydrophobicContact CD1-CZ 4.49Å; I461-F492 HydrophobicContact CG2-CE1 3.9Å; I461-F492 HydrophobicContact CG2-CZ 4.44Å; I461-W532 HydrophobicContact CD1-CH2 4.28Å; I461-W532 HydrophobicContact CD1-CZ3 3.92Å; I461-W532 HydrophobicContact CG2-CH2 3.56Å; I461-W532 HydrophobicContact CG2-CZ2 4.13Å; I461-W532 HydrophobicContact CG2-CZ3 4.26Å; I461-L537 HydrophobicContact CD1-CD1 3.65Å; I461-Y540 HydrophobicContact CD1-CD1 3.97Å; I461-Y540 HydrophobicContact CD1-CE1 3.72Å; I461-Y540 HydrophobicContact CG1-CD1 4.42Å; I461-Y540 HydrophobicContact CG1-CE1 3.67Å; I461-Y540 HydrophobicContact CG2-CE2 3.86Å
462	D	91.2	Very high	94.4	Very high	118 Å²	118	26.9 Å²	26.9	63%	0.631	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	25.3	-169.9	-51.3	-38.5	0	0	0	114.2	K464 K496	D462-K464 PolarHBondContact O-N 2.91Å; D462-K496 VanDerWaalsContact O-CE 3.28Å; D462-K496 WeakPolarHBondContact O-CE 3.46Å
463	G	91.9	Very high	94.7	Very high	28 Å²	28	26.3 Å²	26.3	29%	0.289	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	-2.6	-171.4	0	0	0	0	0	114.6	I461 Y497	I461-G463 PolarHBondContact O-N 3.19Å; G463-Y497 WeakPolarHBondContact O-CB 3.23Å; G463-Y497 PolarHBondContact O-N 2.97Å
464	K	92.4	Very high	95	Very high	31 Å²	31	24.7 Å²	24.7	14%	0.135	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	144.4	174.1	-58.1	-169	-178	-163.3	0	110	I461 D462 S494 K496 E523	I461-K464 PolarHBondContact N-O 2.72Å; I461-K464 VanDerWaalsContact N-O 3.11Å; I461-K464 WeakPolarHBondContact O-CA 3.42Å; I461-K464 PolarHBondContact O-N 3.4Å; D462-K464 PolarHBondContact O-N 2.91Å; K464-S494 WeakPolarHBondContact CE-O 3.3Å; K464-S494 PolarHBondContact NZ-O 3.47Å; K464-K496 HydrophobicContact CG-CG 4.19Å; K464-E523 IonicContact NZ-OE1 3.08Å; K464-E523 PolarHBondContact NZ-OE1 2.86Å; K464-E523 IonicContact NZ-OE2 2.75Å; K464-E523 PolarHBondContact NZ-OE2 3.1Å
465	K	94.6	Very high	95.2	Very high	14 Å²	14	24.1 Å²	24.1	6%	0.061	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	146.6	175.1	175.2	-175.8	176.8	-177.2	0	109.7	Y454 P458 L460 A493 Y497 H510 T512 I593	Y454-K465 PolarHBondContact OH-NZ 3.16Å; Y454-K465 VanDerWaalsContact OH-NZ 3.11Å; P458-K465 HydrophobicContact CB-CG 4.25Å; P458-K465 HydrophobicContact CG-CD 4.3Å; P458-K465 HydrophobicContact CG-CG 4.17Å; L460-K465 HydrophobicContact CD2-CB 4.15Å; K465-A493 HydrophobicContact CB-CB 4.18Å; K465-A493 WeakPolarHBondContact O-CB 3.35Å; K465-A493 PolarHBondContact O-N 3.38Å; K465-Y497 HydrophobicContact CB-CD2 3.9Å; K465-Y497 HydrophobicContact CB-CG 4.41Å; K465-Y497 HydrophobicContact CD-CD2 3.97Å; K465-Y497 HydrophobicContact CD-CE2 3.99Å; K465-Y497 HydrophobicContact CG-CD2 4.43Å; K465-H510 PolarHBondContact NZ-O 2.83Å; K465-T512 HydrophobicContact CD-CG2 4.37Å; K465-T512 HydrophobicContact CG-CG2 4.06Å; K465-I593 HydrophobicContact CD-CD1 4.5Å; K465-I593 HydrophobicContact CG-CD1 4.38Å
466	F	95.7	Very high	95.3	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.009	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	172	171.9	66.2	-82.8	0	0	0	113	Y459 I461 I468 V490 R491 F492 L537 I593 L594	Y459-F466 AromaticContact CD1-CE1 3.76Å; Y459-F466 HydrophobicContact CD1-CE1 3.76Å; Y459-F466 AromaticContact CD1-CZ 3.86Å; Y459-F466 HydrophobicContact CD1-CZ 3.86Å; I461-F466 HydrophobicContact CD1-CD1 4Å; I461-F466 HydrophobicContact CD1-CE1 3.64Å; I461-F466 HydrophobicContact CD1-CZ 4.1Å; I461-F466 HydrophobicContact CG1-CD1 4.14Å; I461-F466 HydrophobicContact CG1-CE1 3.77Å; F466-I468 HydrophobicContact CD2-CG1 4.26Å; F466-I468 HydrophobicContact CE2-CD1 4.33Å; F466-I468 HydrophobicContact CE2-CG1 4.04Å; F466-V490 HydrophobicContact CB-CG1 4.14Å; F466-V490 HydrophobicContact CD2-CG1 3.58Å; F466-V490 HydrophobicContact CE2-CG1 4.3Å; F466-V490 HydrophobicContact CG-CG1 4.05Å; F466-R491 CarbonylContact C-O 3.55Å; F466-R491 WeakPolarHBondContact CA-O 3.31Å; F466-R491 WeakPolarHBondContact CB-O 3.32Å; F466-F492 HydrophobicContact CB-CD1 3.97Å; F466-F492 HydrophobicContact CB-CE1 4.16Å; F466-F492 HydrophobicContact CB-CG 4.2Å; F466-F492 HydrophobicContact CD1-CE1 4.5Å; F466-L537 HydrophobicContact CE2-CD1 4.32Å; F466-L537 HydrophobicContact CE2-CD2 3.92Å; F466-L537 HydrophobicContact CZ-CD1 4.25Å; F466-I593 WeakPolarHBondContact O-CD1 3.23Å; F466-I593 WeakPolarHBondContact O-CG1 3.49Å; F466-L594 HydrophobicContact CZ-CD1 4.32Å
467	D	96.6	Very high	95.4	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.011	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	163.9	162.8	83.3	-112.8	0	0	0	110.5	V490 R491 T512	D467-V490 CarbonylContact O-C 3.49Å; D467-V490 WeakPolarHBondContact O-CA 3.43Å; D467-R491 PolarHBondContact N-O 3.46Å; D467-R491 PolarHBondContact O-N 3.44Å; D467-R491 IonicContact OD1-CZ 2.65Å; D467-R491 VanDerWaalsContact OD1-CZ 3.25Å; D467-R491 IonicContact OD1-NE 3.15Å; D467-R491 PolarHBondContact OD1-NE 2.66Å; D467-R491 VanDerWaalsContact OD1-NE 3.12Å; D467-R491 IonicContact OD1-NH2 3.21Å; D467-R491 PolarHBondContact OD1-NH2 2.9Å; D467-R491 VanDerWaalsContact OD1-NH2 3.15Å; D467-R491 IonicContact OD2-CZ 3.96Å; D467-R491 IonicContact OD2-NE 3.73Å; D467-R491 PolarHBondContact OD2-NE 2.9Å; D467-R491 IonicContact OD2-NH2 2.63Å; D467-R491 PolarHBondContact OD2-NH2 2.88Å; D467-T512 WeakPolarHBondContact OD1-CB 3.11Å; D467-T512 PolarHBondContact OD1-OG1 3.37Å
468	I	97.8	Very high	95.1	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	118.2	-179.6	-53.7	172.6	0	0	0	109.2	F466 L470 L534 L537 W538 I592 L594	F466-I468 HydrophobicContact CD2-CG1 4.26Å; F466-I468 HydrophobicContact CE2-CD1 4.33Å; F466-I468 HydrophobicContact CE2-CG1 4.04Å; I468-L470 HydrophobicContact CG2-CD2 3.63Å; I468-L470 HydrophobicContact CG2-CG 4Å; I468-L534 HydrophobicContact CG2-CD1 3.53Å; I468-L537 HydrophobicContact CD1-CD2 3.66Å; I468-L537 HydrophobicContact CG1-CD2 3.92Å; I468-W538 HydrophobicContact CD1-CH2 4.4Å; I468-I592 HydrophobicContact CB-CB 4.36Å; I468-I592 PolarHBondContact N-O 3.26Å; I468-I592 PolarHBondContact O-N 3.16Å; I468-L594 HydrophobicContact CD1-CD1 4.34Å; I468-L594 HydrophobicContact CD1-CD2 4.31Å; I468-L594 HydrophobicContact CD1-CG 4.14Å
469	R	97.8	Very high	94.9	Very high	18 Å²	18	17.4 Å²	17.4	7%	0.068	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	117.7	167.2	166.6	59.8	55.5	61.8	2.5	109.6	Y471 G488 L489 F590 D591 N606	R469-Y471 HydrophobicContact CG-CE2 4.34Å; R469-G488 WeakPolarHBondContact O-CA 3.48Å; R469-L489 HydrophobicContact CB-CB 4.19Å; R469-L489 WeakPolarHBondContact CB-O 3.36Å; R469-L489 PolarHBondContact N-O 3.49Å; R469-L489 PolarHBondContact O-N 2.97Å; R469-F590 WeakPolarHBondContact CA-O 3.44Å; R469-D591 IonicContact CZ-OD1 3.64Å; R469-D591 IonicContact CZ-OD2 3.15Å; R469-D591 IonicContact NE-OD1 2.56Å; R469-D591 PolarHBondContact NE-OD1 2.85Å; R469-D591 IonicContact NH2-OD1 3.66Å; R469-D591 PolarHBondContact NH2-OD1 3.4Å; R469-D591 IonicContact NH2-OD2 3.96Å; R469-D591 PolarHBondContact NH2-OD2 3.13Å; R469-N606 PolarHBondContact NH2-ND2 3.39Å
470	L	98.2	Very high	94.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	146.2	172.1	-54.9	174.8	0	0	0	110.3	I468 L534 W552 I555 I559 G589 F590 I592	I468-L470 HydrophobicContact CG2-CD2 3.63Å; I468-L470 HydrophobicContact CG2-CG 4Å; L470-L534 HydrophobicContact CD2-CD1 4.23Å; L470-L534 HydrophobicContact CD2-CD2 3.5Å; L470-L534 VanDerWaalsContact CD2-CD2 3.5Å; L470-W552 HydrophobicContact CD1-CZ3 4.32Å; L470-W552 HydrophobicContact CD2-CH2 4.32Å; L470-W552 HydrophobicContact CD2-CZ3 3.97Å; L470-I555 HydrophobicContact CD1-CG2 3.33Å; L470-I559 HydrophobicContact CD1-CD1 4.09Å; L470-G589 CarbonylContact O-C 3.36Å; L470-G589 WeakPolarHBondContact O-CA 3.2Å; L470-F590 HydrophobicContact CB-CB 4.28Å; L470-F590 PolarHBondContact N-O 3.48Å; L470-F590 PolarHBondContact O-N 2.94Å; L470-I592 HydrophobicContact CD1-CG1 4.01Å
471	Y	98.5	Very high	94.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	118.8	175.3	-64	-79	0	0	0	109.7	R469 Y485 L489 L587 P609 L611 V621 K622 V625	R469-Y471 HydrophobicContact CG-CE2 4.34Å; Y471-Y485 PolarHBondContact O-N 3.21Å; Y471-L489 HydrophobicContact CE2-CG 4.45Å; Y471-L489 WeakPolarHBondContact OH-CD1 3.22Å; Y471-L587 HydrophobicContact CD1-CD2 4.39Å; Y471-P609 HydrophobicContact CE1-CB 4.27Å; Y471-L611 HydrophobicContact CE1-CD2 4.32Å; Y471-V621 HydrophobicContact CE2-CG1 3.96Å; Y471-K622 VanDerWaalsContact OH-CE 3.22Å; Y471-K622 WeakPolarHBondContact OH-CE 3.42Å; Y471-V625 HydrophobicContact CD1-CG1 4.17Å; Y471-V625 HydrophobicContact CD2-CG2 3.82Å; Y471-V625 HydrophobicContact CE2-CG2 4.33Å; Y471-V625 HydrophobicContact CG-CG1 4.08Å; Y471-V625 HydrophobicContact CG-CG2 4.05Å
472	V	98.6	Very high	94.9	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	113.6	-176.5	176.7	0	0	0	0	109.2	V474 Y483 V484 I559 L563 F588 F590 I891	V472-V474 HydrophobicContact CG1-CG2 4.35Å; V472-Y483 CarbonylContact C-O 3.52Å; V472-Y483 WeakPolarHBondContact CA-O 3.3Å; V472-V484 HydrophobicContact CG2-CG2 4.24Å; V472-I559 HydrophobicContact CB-CG2 4.41Å; V472-I559 HydrophobicContact CG1-CG2 3.74Å; V472-I559 HydrophobicContact CG2-CD1 3.89Å; V472-I559 HydrophobicContact CG2-CG1 4.26Å; V472-I559 HydrophobicContact CG2-CG2 3.81Å; V472-L563 HydrophobicContact CG1-CD1 4.23Å; V472-F588 HydrophobicContact CB-CB 4.47Å; V472-F588 PolarHBondContact N-O 3.38Å; V472-F588 PolarHBondContact O-N 3.42Å; V472-F590 HydrophobicContact CB-CD2 3.73Å; V472-F590 HydrophobicContact CB-CE2 3.78Å; V472-F590 HydrophobicContact CG1-CD2 4.41Å; V472-F590 HydrophobicContact CG1-CE2 3.99Å; V472-F590 HydrophobicContact CG2-CB 4.47Å; V472-F590 HydrophobicContact CG2-CD2 3.47Å; V472-F590 VanDerWaalsContact CG2-CD2 3.47Å; V472-F590 HydrophobicContact CG2-CE2 3.87Å; V472-F590 HydrophobicContact CG2-CG 4.07Å; V472-I891 HydrophobicContact CG1-CD1 3.98Å
473	F	98.3	Very high	95.3	Very high	1 Å²	1	7.9 Å²	7.9	0%	0.004	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	131.3	177.2	174.1	-109.2	0	0	0	110.3	A475 A482 Y483 Y585 E586 L587 M629 I632 F888	F473-A475 HydrophobicContact CD1-CB 4.49Å; F473-A475 HydrophobicContact CE1-CB 3.68Å; F473-A475 HydrophobicContact CZ-CB 4.09Å; F473-A482 WeakPolarHBondContact O-CA 3.38Å; F473-Y483 AromaticContact CD1-CD2 3.89Å; F473-Y483 HydrophobicContact CD1-CD2 3.89Å; F473-Y483 HydrophobicContact CE1-CD2 4.43Å; F473-Y483 PolarHBondContact N-O 2.77Å; F473-Y483 PolarHBondContact O-N 2.84Å; F473-Y585 AromaticContact CE2-CD2 3.76Å; F473-Y585 HydrophobicContact CE2-CD2 3.76Å; F473-Y585 HydrophobicContact CE2-CG 4.19Å; F473-E586 WeakPolarHBondContact CA-O 3.46Å; F473-L587 HydrophobicContact CB-CD1 4.13Å; F473-M629 HydrophobicContact CD2-CG 3.67Å; F473-M629 HydrophobicContact CD2-SD 4.46Å; F473-M629 HydrophobicContact CE2-CG 3.77Å; F473-I632 HydrophobicContact CD1-CG2 4.12Å; F473-I632 HydrophobicContact CE1-CB 3.95Å; F473-I632 HydrophobicContact CE1-CG2 3.47Å; F473-I632 VanDerWaalsContact CE1-CG2 3.47Å; F473-I632 HydrophobicContact CZ-CB 4.48Å; F473-I632 HydrophobicContact CZ-CG2 4.29Å; F473-F888 HydrophobicContact CB-CD1 4.09Å; F473-F888 HydrophobicContact CB-CE1 3.46Å; F473-F888 VanDerWaalsContact CB-CE1 3.46Å; F473-F888 HydrophobicContact CB-CZ 3.82Å
474	V	98.1	Very high	95.5	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	117.4	176.1	-179	0	0	0	0	109.1	F350 V472 G476 F477 A482 L563 E586 F588	F350-V474 HydrophobicContact CE2-CB 4.02Å; F350-V474 HydrophobicContact CE2-CG1 3.88Å; F350-V474 WeakPolarHBondContact CE2-O 3.4Å; F350-V474 HydrophobicContact CZ-CB 4.49Å; F350-V474 HydrophobicContact CZ-CG1 4.03Å; F350-V474 WeakPolarHBondContact CZ-O 3.09Å; V472-V474 HydrophobicContact CG1-CG2 4.35Å; V474-G476 WeakPolarHBondContact CG1-O 3.27Å; V474-F477 HydrophobicContact CG1-CD2 3.99Å; V474-F477 HydrophobicContact CG1-CE2 3.67Å; V474-F477 HydrophobicContact CG1-CZ 4Å; V474-A482 HydrophobicContact CG2-CB 4.22Å; V474-L563 HydrophobicContact CG2-CD1 3.93Å; V474-L563 HydrophobicContact CG2-CD2 3.91Å; V474-E586 PolarHBondContact N-O 3.39Å; V474-E586 PolarHBondContact O-N 3.03Å; V474-F588 HydrophobicContact CB-CE2 4.13Å; V474-F588 HydrophobicContact CG2-CD2 3.91Å; V474-F588 HydrophobicContact CG2-CE2 3.82Å
475	A	95.7	Very high	95.8	Very high	7 Å²	7	5.2 Å²	5.2	6%	0.058	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-2	-178.2	0	0	0	0	0	113.1	F473 R481 Y483 E879	F473-A475 HydrophobicContact CD1-CB 4.49Å; F473-A475 HydrophobicContact CE1-CB 3.68Å; F473-A475 HydrophobicContact CZ-CB 4.09Å; A475-R481 HydrophobicContact CB-CB 4.17Å; A475-R481 PolarHBondContact N-O 3.09Å; A475-R481 PolarHBondContact O-NH2 2.98Å; A475-Y483 HydrophobicContact CB-CE2 4.35Å; A475-E879 WeakPolarHBondContact CB-OE1 3.48Å
476	G	93.6	Very high	95.7	Very high	9 Å²	9	6.9 Å²	6.9	9%	0.093	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.8	157.7	175.6	0	0	0	0	0	113.1	V474 P479 L480 R481	V474-G476 WeakPolarHBondContact CG1-O 3.27Å; G476-P479 CarbonylContact C-O 3.6Å; G476-L480 WeakPolarHBondContact O-CA 3.35Å; G476-R481 PolarHBondContact O-N 2.76Å
477	F	91.9	Very high	95.7	Very high	4 Å²	4	8.4 Å²	8.4	2%	0.018	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	3.3	171	-78.1	-83	0	0	0	113	F350 V474 P479 L480 L563 V566 V567 I570 A571	F350-F477 HydrophobicContact CD1-CD2 4.22Å; F350-F477 HydrophobicContact CD2-CD2 4.04Å; F350-F477 AromaticContact CD2-CE2 3.74Å; F350-F477 HydrophobicContact CD2-CE2 3.74Å; F350-F477 HydrophobicContact CE1-CD2 4.18Å; F350-F477 AromaticContact CE2-CD2 4Å; F350-F477 HydrophobicContact CE2-CD2 4Å; F350-F477 AromaticContact CE2-CE2 3.8Å; F350-F477 HydrophobicContact CE2-CE2 3.8Å; F350-F477 HydrophobicContact CG-CD2 4.17Å; F350-F477 HydrophobicContact CG-CE2 4.24Å; F350-F477 HydrophobicContact CZ-CD2 4.07Å; F350-F477 HydrophobicContact CZ-CE2 4.33Å; V474-F477 HydrophobicContact CG1-CD2 3.99Å; V474-F477 HydrophobicContact CG1-CE2 3.67Å; V474-F477 HydrophobicContact CG1-CZ 4Å; F477-P479 CarbonylContact C-O 3.6Å; F477-L480 HydrophobicContact CD1-CD1 3.87Å; F477-L480 HydrophobicContact CE1-CD1 4.14Å; F477-L563 HydrophobicContact CE1-CB 4.49Å; F477-L563 HydrophobicContact CE1-CD2 4.43Å; F477-L563 HydrophobicContact CZ-CD2 4.16Å; F477-V566 HydrophobicContact CE1-CG2 4.04Å; F477-V566 HydrophobicContact CZ-CG2 4.29Å; F477-V567 HydrophobicContact CD1-CB 4.38Å; F477-V567 HydrophobicContact CD1-CG2 4.23Å; F477-I570 HydrophobicContact CB-CB 4.46Å; F477-I570 HydrophobicContact CB-CG2 4.31Å; F477-I570 HydrophobicContact CD2-CB 4Å; F477-I570 HydrophobicContact CD2-CD1 4.35Å; F477-I570 HydrophobicContact CD2-CG2 3.44Å; F477-I570 VanDerWaalsContact CD2-CG2 3.44Å; F477-I570 HydrophobicContact CE1-CD1 4.3Å; F477-I570 HydrophobicContact CE2-CB 4.32Å; F477-I570 HydrophobicContact CE2-CD1 3.78Å; F477-I570 HydrophobicContact CE2-CG2 3.86Å; F477-I570 HydrophobicContact CG-CB 4.1Å; F477-I570 HydrophobicContact CG-CG2 3.97Å; F477-I570 HydrophobicContact CZ-CD1 3.75Å; F477-A571 HydrophobicContact CB-CB 4.39Å
478	S	83.8	Confident	95.7	Very high	10 Å²	10	8.3 Å²	8.3	7%	0.07	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-156.3	104.8	163.4	-177.9	0	0	0	0	111.6	R581 F926	S478-R581 WeakPolarHBondContact O-CD 3.14Å; S478-R581 PolarHBondContact O-NH1 3.15Å; S478-R581 PolarHBondContact OG-NH1 3.27Å; S478-F926 WeakPolarHBondContact OG-CD1 3.32Å; S478-F926 PolarHBondContact OG-O 2.67Å
479	P	90.9	Very high	95.6	Very high	14 Å²	14	8.6 Å²	8.6	9%	0.091	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	cis	-59	158.1	-12.4	25.6	-32.7	0	0	0	111.8	G476 F477 R481 T872 D930	G476-P479 CarbonylContact C-O 3.6Å; F477-P479 CarbonylContact C-O 3.6Å; P479-R481 HydrophobicContact CG-CG 4.32Å; P479-R481 PolarHBondContact O-N 3.3Å; P479-T872 HydrophobicContact CG-CG2 4.33Å; P479-D930 WeakPolarHBondContact CA-OD1 3.46Å; P479-D930 VanDerWaalsContact CB-OD1 3.23Å; P479-D930 WeakPolarHBondContact CB-OD1 3.38Å
480	L	94.7	Very high	95.5	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	122.9	171.1	176	61.9	0	0	0	108.7	G476 F477 F560 F892 L906 D930	G476-L480 WeakPolarHBondContact O-CA 3.35Å; F477-L480 HydrophobicContact CD1-CD1 3.87Å; F477-L480 HydrophobicContact CE1-CD1 4.14Å; L480-F560 HydrophobicContact CD2-CD2 4.39Å; L480-F560 HydrophobicContact CD2-CE2 3.9Å; L480-F892 HydrophobicContact CB-CD1 3.91Å; L480-F892 HydrophobicContact CB-CE1 4.04Å; L480-F892 HydrophobicContact CD2-CD1 3.95Å; L480-F892 HydrophobicContact CD2-CE1 4.48Å; L480-F892 HydrophobicContact CD2-CG 4.45Å; L480-F892 HydrophobicContact CG-CD1 3.86Å; L480-F892 HydrophobicContact CG-CE1 4.45Å; L480-F892 VanDerWaalsContact O-CD1 3.28Å; L480-F892 WeakPolarHBondContact O-CD1 3.39Å; L480-L906 HydrophobicContact CB-CD2 4.24Å; L480-L906 HydrophobicContact CD2-CD1 3.7Å; L480-L906 HydrophobicContact CD2-CD2 4.21Å; L480-D930 PolarHBondContact N-OD1 2.98Å
481	R	95.8	Very high	95.3	Very high	23 Å²	23	8.9 Å²	8.9	9%	0.087	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	110.9	177.7	-61.3	-176.1	-56.8	139.9	25.7	109.1	A475 G476 P479 N875 E879 F892	A475-R481 HydrophobicContact CB-CB 4.17Å; A475-R481 PolarHBondContact N-O 3.09Å; A475-R481 PolarHBondContact O-NH2 2.98Å; G476-R481 PolarHBondContact O-N 2.76Å; P479-R481 HydrophobicContact CG-CG 4.32Å; P479-R481 PolarHBondContact O-N 3.3Å; R481-N875 PolarHBondContact NH1-O 3.4Å; R481-E879 IonicContact CZ-OE1 2.68Å; R481-E879 IonicContact CZ-OE2 3.87Å; R481-E879 IonicContact NE-OE1 3.63Å; R481-E879 IonicContact NH1-OE1 3.23Å; R481-E879 PolarHBondContact NH1-OE1 2.81Å; R481-E879 IonicContact NH1-OE2 3.38Å; R481-E879 PolarHBondContact NH1-OE2 3.48Å; R481-E879 IonicContact NH2-OE1 2.69Å; R481-E879 PolarHBondContact NH2-OE1 3.38Å; R481-E879 IonicContact NH2-OE2 3.23Å; R481-E879 PolarHBondContact NH2-OE2 3.47Å; R481-F892 WeakPolarHBondContact CA-O 3.31Å
482	A	97.7	Very high	95	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.008	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	142	-168.3	0	0	0	0	0	111.8	F473 V474 L563 I891 F892	F473-A482 WeakPolarHBondContact O-CA 3.38Å; V474-A482 HydrophobicContact CG2-CB 4.22Å; A482-L563 HydrophobicContact CB-CD1 3.63Å; A482-I891 HydrophobicContact CB-CB 4.31Å; A482-I891 HydrophobicContact CB-CD1 4.15Å; A482-I891 WeakPolarHBondContact O-CB 3.32Å; A482-I891 PolarHBondContact O-N 2.75Å; A482-F892 PolarHBondContact N-O 2.92Å; A482-F892 PolarHBondContact O-N 3.22Å
483	Y	98.1	Very high	94.7	Very high	1 Å²	1	9.3 Å²	9.3	0%	0.004	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	144.9	-174	-56.2	-99.3	0	0	0	110.3	V472 F473 A475 E879 A883 Q889 C890	V472-Y483 CarbonylContact C-O 3.52Å; V472-Y483 WeakPolarHBondContact CA-O 3.3Å; F473-Y483 AromaticContact CD1-CD2 3.89Å; F473-Y483 HydrophobicContact CD1-CD2 3.89Å; F473-Y483 HydrophobicContact CE1-CD2 4.43Å; F473-Y483 PolarHBondContact N-O 2.77Å; F473-Y483 PolarHBondContact O-N 2.84Å; A475-Y483 HydrophobicContact CB-CE2 4.35Å; Y483-E879 HydrophobicContact CE2-CG 4.42Å; Y483-E879 PolarHBondContact OH-OE1 3.18Å; Y483-A883 HydrophobicContact CD1-CB 3.91Å; Y483-A883 HydrophobicContact CE1-CB 3.67Å; Y483-Q889 CarbonylContact C-O 3.35Å; Y483-Q889 WeakPolarHBondContact CA-O 3.49Å; Y483-Q889 WeakPolarHBondContact CB-O 3.46Å; Y483-C890 HydrophobicContact CD1-CB 4.05Å; Y483-C890 HydrophobicContact CE1-CB 3.97Å
484	V	97.8	Very high	94	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	137.6	172.2	62.1	0	0	0	0	109.3	V472 W552 V556 I559 Q889 I891	V472-V484 HydrophobicContact CG2-CG2 4.24Å; V484-W552 HydrophobicContact CG1-CH2 4.29Å; V484-W552 HydrophobicContact CG1-CZ2 3.75Å; V484-W552 HydrophobicContact CG2-CH2 3.77Å; V484-W552 HydrophobicContact CG2-CZ2 4.1Å; V484-V556 HydrophobicContact CG1-CG2 4.4Å; V484-I559 HydrophobicContact CB-CD1 4.49Å; V484-I559 HydrophobicContact CG2-CD1 4.07Å; V484-Q889 HydrophobicContact CG1-CB 4.04Å; V484-Q889 HydrophobicContact CG1-CG 4.33Å; V484-Q889 PolarHBondContact N-O 3.02Å; V484-Q889 PolarHBondContact O-N 2.63Å; V484-I891 HydrophobicContact CB-CD1 4.02Å; V484-I891 HydrophobicContact CB-CG1 4.11Å; V484-I891 HydrophobicContact CG1-CG1 4.06Å
485	Y	97.6	Very high	93.4	Very high	3 Å²	3	11.5 Å²	11.5	1%	0.012	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	133.5	171.5	-149.1	-113.9	0	0	0	109.4	Y471 E487 A624 V625 D628 N887 F888	Y471-Y485 PolarHBondContact O-N 3.21Å; Y485-E487 HydrophobicContact CD1-CB 3.93Å; Y485-E487 WeakPolarHBondContact CD1-O 3.48Å; Y485-E487 HydrophobicContact CE1-CB 4.11Å; Y485-E487 PolarHBondContact O-N 3.38Å; Y485-E487 VanDerWaalsContact O-N 3.16Å; Y485-A624 VanDerWaalsContact OH-C 3.3Å; Y485-A624 WeakPolarHBondContact OH-CB 3.45Å; Y485-V625 HydrophobicContact CD1-CG2 3.33Å; Y485-V625 HydrophobicContact CD2-CG2 4.2Å; Y485-V625 HydrophobicContact CE1-CB 4.49Å; Y485-V625 HydrophobicContact CE1-CG2 3.5Å; Y485-V625 VanDerWaalsContact CE1-CG2 3.5Å; Y485-V625 HydrophobicContact CE2-CG2 4.33Å; Y485-V625 HydrophobicContact CG-CG2 3.71Å; Y485-D628 HydrophobicContact CE2-CB 3.97Å; Y485-D628 VanDerWaalsContact CE2-OD2 3.23Å; Y485-D628 WeakPolarHBondContact CE2-OD2 3.44Å; Y485-D628 PolarHBondContact OH-OD2 2.78Å; Y485-N887 HydrophobicContact CD2-CB 4.32Å; Y485-N887 HydrophobicContact CE1-CB 4.09Å; Y485-N887 HydrophobicContact CE2-CB 3.74Å; Y485-N887 PolarHBondContact OH-ND2 3.24Å; Y485-F888 AromaticContact CD2-CD1 3.86Å; Y485-F888 HydrophobicContact CD2-CD1 3.86Å; Y485-F888 AromaticContact CD2-CD2 3.48Å; Y485-F888 HydrophobicContact CD2-CD2 3.48Å; Y485-F888 VanDerWaalsContact CD2-CD2 3.48Å; Y485-F888 AromaticContact CD2-CE1 3.77Å; Y485-F888 HydrophobicContact CD2-CE1 3.77Å; Y485-F888 AromaticContact CD2-CE2 3.4Å; Y485-F888 HydrophobicContact CD2-CE2 3.4Å; Y485-F888 AromaticContact CD2-CG 3.73Å; Y485-F888 HydrophobicContact CD2-CG 3.73Å; Y485-F888 AromaticContact CD2-CZ 3.55Å; Y485-F888 HydrophobicContact CD2-CZ 3.55Å; Y485-F888 AromaticContact CE2-CD2 3.7Å; Y485-F888 HydrophobicContact CE2-CD2 3.7Å; Y485-F888 AromaticContact CE2-CE2 3.67Å; Y485-F888 HydrophobicContact CE2-CE2 3.67Å; Y485-F888 HydrophobicContact CE2-CG 4.31Å; Y485-F888 HydrophobicContact CE2-CZ 4.25Å; Y485-F888 HydrophobicContact CG-CE1 4.36Å; Y485-F888 HydrophobicContact CG-CZ 4.33Å
486	R	93.3	Very high	93.1	Very high	50 Å²	50	18.1 Å²	18.1	19%	0.189	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	-18.5	179.5	-69	177.8	179	-131.1	-6.5	113.3	N887 Q889 C951 D952	R486-N887 WeakPolarHBondContact CG-O 3.4Å; R486-N887 PolarHBondContact N-O 3.36Å; R486-Q889 HydrophobicContact CG-CB 4.34Å; R486-C951 PolarHBondContact NH2-O 3.16Å; R486-D952 VanDerWaalsContact CZ-O 3.24Å; R486-D952 PolarHBondContact NH1-O 2.92Å; R486-D952 PolarHBondContact NH2-O 3.13Å
487	E	94.9	Very high	92.9	Very high	33 Å²	33	19.3 Å²	19.3	15%	0.154	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	154.9	-178.8	-171.4	48	-96.6	0	0	110.7	Y485 K533 L534 S535 V621	Y485-E487 HydrophobicContact CD1-CB 3.93Å; Y485-E487 WeakPolarHBondContact CD1-O 3.48Å; Y485-E487 HydrophobicContact CE1-CB 4.11Å; Y485-E487 PolarHBondContact O-N 3.38Å; Y485-E487 VanDerWaalsContact O-N 3.16Å; E487-K533 WeakPolarHBondContact OE1-CA 3.24Å; E487-K533 WeakPolarHBondContact OE1-CB 3.48Å; E487-L534 WeakPolarHBondContact OE1-CA 2.98Å; E487-L534 VanDerWaalsContact OE1-CB 3.23Å; E487-L534 WeakPolarHBondContact OE1-CB 3.33Å; E487-L534 PolarHBondContact OE1-N 3.14Å; E487-S535 VanDerWaalsContact OE2-CB 3.27Å; E487-S535 WeakPolarHBondContact OE2-CB 3.41Å; E487-S535 PolarHBondContact OE2-N 2.93Å; E487-S535 PolarHBondContact OE2-OG 2.89Å; E487-V621 HydrophobicContact CG-CG1 4.29Å; E487-V621 HydrophobicContact CG-CG2 4Å
488	G	96	Very high	92.6	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	-156.3	-172.4	0	0	0	0	0	112	R469	R469-G488 WeakPolarHBondContact O-CA 3.48Å
489	L	95.9	Very high	92.2	Very high	7 Å²	7	22.3 Å²	22.3	4%	0.037	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	124.5	175.5	-60	172.5	0	0	0	110.3	R469 Y471 L617 D618 V621	R469-L489 HydrophobicContact CB-CB 4.19Å; R469-L489 WeakPolarHBondContact CB-O 3.36Å; R469-L489 PolarHBondContact N-O 3.49Å; R469-L489 PolarHBondContact O-N 2.97Å; Y471-L489 HydrophobicContact CE2-CG 4.45Å; Y471-L489 WeakPolarHBondContact OH-CD1 3.22Å; L489-L617 HydrophobicContact CD2-CD2 3.34Å; L489-D618 WeakPolarHBondContact CD1-OD1 3.21Å; L489-V621 HydrophobicContact CD2-CB 4.3Å; L489-V621 HydrophobicContact CD2-CG1 4.41Å; L489-V621 HydrophobicContact CD2-CG2 4.24Å
490	V	96.2	Very high	91.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	118.6	172.3	-175.3	0	0	0	0	107.6	F466 D467 F492 K531 W532 L534 L537	F466-V490 HydrophobicContact CB-CG1 4.14Å; F466-V490 HydrophobicContact CD2-CG1 3.58Å; F466-V490 HydrophobicContact CE2-CG1 4.3Å; F466-V490 HydrophobicContact CG-CG1 4.05Å; D467-V490 CarbonylContact O-C 3.49Å; D467-V490 WeakPolarHBondContact O-CA 3.43Å; V490-F492 HydrophobicContact CB-CE2 4.33Å; V490-F492 HydrophobicContact CG1-CD2 4.49Å; V490-F492 HydrophobicContact CG1-CE2 3.78Å; V490-F492 HydrophobicContact CG1-CZ 4.06Å; V490-K531 VanDerWaalsContact O-CA 3.29Å; V490-K531 WeakPolarHBondContact O-CA 3.37Å; V490-W532 HydrophobicContact CB-CB 4.16Å; V490-W532 PolarHBondContact N-O 2.88Å; V490-W532 PolarHBondContact O-N 3.29Å; V490-L534 HydrophobicContact CG2-CD1 4.29Å; V490-L537 HydrophobicContact CG1-CD2 4.22Å; V490-L537 HydrophobicContact CG2-CB 3.87Å; V490-L537 HydrophobicContact CG2-CD2 3.79Å; V490-L537 HydrophobicContact CG2-CG 4.46Å
491	R	93.7	Very high	90.4	Very high	24 Å²	24	26 Å²	26	9%	0.091	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	117	-169.3	-60.3	-176.1	-70	171.2	-7.5	110.5	F466 D467 N513 D591	F466-R491 CarbonylContact C-O 3.55Å; F466-R491 WeakPolarHBondContact CA-O 3.31Å; F466-R491 WeakPolarHBondContact CB-O 3.32Å; D467-R491 PolarHBondContact N-O 3.46Å; D467-R491 PolarHBondContact O-N 3.44Å; D467-R491 IonicContact OD1-CZ 2.65Å; D467-R491 VanDerWaalsContact OD1-CZ 3.25Å; D467-R491 IonicContact OD1-NE 3.15Å; D467-R491 PolarHBondContact OD1-NE 2.66Å; D467-R491 VanDerWaalsContact OD1-NE 3.12Å; D467-R491 IonicContact OD1-NH2 3.21Å; D467-R491 PolarHBondContact OD1-NH2 2.9Å; D467-R491 VanDerWaalsContact OD1-NH2 3.15Å; D467-R491 IonicContact OD2-CZ 3.96Å; D467-R491 IonicContact OD2-NE 3.73Å; D467-R491 PolarHBondContact OD2-NE 2.9Å; D467-R491 IonicContact OD2-NH2 2.63Å; D467-R491 PolarHBondContact OD2-NH2 2.88Å; R491-N513 PolarHBondContact NH1-OD1 3.15Å; R491-D591 IonicContact CZ-OD2 3.96Å; R491-D591 IonicContact NH1-OD2 2.68Å; R491-D591 VanDerWaalsContact NH2-CG 3.34Å; R491-D591 IonicContact NH2-OD1 2.94Å; R491-D591 IonicContact NH2-OD2 3.03Å; R491-D591 PolarHBondContact NH2-OD2 2.78Å
492	F	93.3	Very high	89.2	Confident	9 Å²	9	32.8 Å²	32.8	4%	0.039	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	145.5	-177.7	-66.5	-101.5	0	0	0	112	I461 F466 V490 H530 W532	I461-F492 HydrophobicContact CB-CE1 3.96Å; I461-F492 HydrophobicContact CD1-CE1 4.41Å; I461-F492 HydrophobicContact CD1-CZ 4.49Å; I461-F492 HydrophobicContact CG2-CE1 3.9Å; I461-F492 HydrophobicContact CG2-CZ 4.44Å; F466-F492 HydrophobicContact CB-CD1 3.97Å; F466-F492 HydrophobicContact CB-CE1 4.16Å; F466-F492 HydrophobicContact CB-CG 4.2Å; F466-F492 HydrophobicContact CD1-CE1 4.5Å; V490-F492 HydrophobicContact CB-CE2 4.33Å; V490-F492 HydrophobicContact CG1-CD2 4.49Å; V490-F492 HydrophobicContact CG1-CE2 3.78Å; V490-F492 HydrophobicContact CG1-CZ 4.06Å; F492-H530 PolarHBondContact N-O 3.13Å; F492-H530 VanDerWaalsContact N-O 3.08Å; F492-W532 HydrophobicContact CE2-CB 4.21Å; F492-W532 AromaticContact CE2-CD1 3.95Å; F492-W532 AromaticContact CE2-CD2 3.72Å; F492-W532 HydrophobicContact CE2-CD2 3.72Å; F492-W532 AromaticContact CE2-CE2 4Å; F492-W532 HydrophobicContact CE2-CE3 4.25Å; F492-W532 AromaticContact CE2-CG 3.69Å; F492-W532 HydrophobicContact CE2-CG 3.69Å; F492-W532 AromaticContact CZ-CD2 3.56Å; F492-W532 HydrophobicContact CZ-CD2 3.56Å; F492-W532 AromaticContact CZ-CE2 3.68Å; F492-W532 AromaticContact CZ-CE3 3.77Å; F492-W532 HydrophobicContact CZ-CE3 3.77Å; F492-W532 HydrophobicContact CZ-CG 4.07Å; F492-W532 HydrophobicContact CZ-CH2 4.18Å; F492-W532 AromaticContact CZ-CZ2 3.99Å; F492-W532 HydrophobicContact CZ-CZ2 3.99Å; F492-W532 HydrophobicContact CZ-CZ3 4.08Å
493	A	90.7	Very high	88.2	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	137.2	158.1	0	0	0	0	0	108.2	K465 Q495 F508 T512	K465-A493 HydrophobicContact CB-CB 4.18Å; K465-A493 WeakPolarHBondContact O-CB 3.35Å; K465-A493 PolarHBondContact O-N 3.38Å; A493-Q495 VanDerWaalsContact C-N 3.29Å; A493-Q495 PolarHBondContact O-N 3.31Å; A493-F508 WeakPolarHBondContact CB-O 3.39Å; A493-T512 HydrophobicContact CB-CG2 4.18Å
494	S	84.4	Confident	86.9	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	-26	-176.4	51.8	0	0	0	0	112.8	K464 F508 N517 N520	K464-S494 WeakPolarHBondContact CE-O 3.3Å; K464-S494 PolarHBondContact NZ-O 3.47Å; S494-F508 PolarHBondContact N-O 3.25Å; S494-N517 WeakPolarHBondContact CB-OD1 3.21Å; S494-N517 PolarHBondContact N-OD1 2.8Å; S494-N517 PolarHBondContact OG-OD1 3.11Å; S494-N520 PolarHBondContact OG-ND2 3.48Å
495	Q	86.5	Confident	85.8	Confident	46 Å²	46	46.9 Å²	46.9	22%	0.215	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	154.1	-178.9	-61.1	-175	6.4	0	0	112.4	A493 N506 F508 V509 N520	A493-Q495 VanDerWaalsContact C-N 3.29Å; A493-Q495 PolarHBondContact O-N 3.31Å; Q495-N506 PolarHBondContact OE1-ND2 3Å; Q495-F508 HydrophobicContact CB-CB 4.5Å; Q495-F508 HydrophobicContact CG-CB 4.01Å; Q495-F508 PolarHBondContact N-O 3.34Å; Q495-V509 HydrophobicContact CB-CG2 3.83Å; Q495-N520 PolarHBondContact NE2-ND2 3.29Å; Q495-N520 PolarHBondContact NE2-OD1 3.34Å
496	K	89.4	Confident	84.8	Confident	147 Å²	147	48.3 Å²	48.3	64%	0.639	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-61.2	142	177.9	-71.2	-171.6	178.7	-174.3	0	111.2	D462 K464	D462-K496 VanDerWaalsContact O-CE 3.28Å; D462-K496 WeakPolarHBondContact O-CE 3.46Å; K464-K496 HydrophobicContact CG-CG 4.19Å
497	Y	89	Confident	84.2	Confident	34 Å²	34	52.3 Å²	52.3	13%	0.133	24%	0.24	C	C	.	.			trans	-69.7	132.6	-175.9	-172.9	-105.2	0	0	0	111.6	Y454 N456 P458 L460 G463 K465 T499 V509 H510	Y454-Y497 WeakPolarHBondContact CE1-OH 3.5Å; N456-Y497 VanDerWaalsContact C-OH 3.29Å; N456-Y497 WeakPolarHBondContact CA-OH 3.09Å; N456-Y497 WeakPolarHBondContact O-CE1 3.24Å; N456-Y497 PolarHBondContact O-OH 3.29Å; P458-Y497 HydrophobicContact CG-CD1 4.17Å; P458-Y497 HydrophobicContact CG-CD2 4.22Å; P458-Y497 HydrophobicContact CG-CE1 3.86Å; P458-Y497 HydrophobicContact CG-CE2 3.92Å; P458-Y497 HydrophobicContact CG-CG 4.33Å; L460-Y497 HydrophobicContact CD1-CD1 4.12Å; L460-Y497 HydrophobicContact CD1-CG 4.48Å; L460-Y497 HydrophobicContact CD2-CD1 4.08Å; L460-Y497 HydrophobicContact CD2-CG 3.84Å; G463-Y497 WeakPolarHBondContact O-CB 3.23Å; G463-Y497 PolarHBondContact O-N 2.97Å; K465-Y497 HydrophobicContact CB-CD2 3.9Å; K465-Y497 HydrophobicContact CB-CG 4.41Å; K465-Y497 HydrophobicContact CD-CD2 3.97Å; K465-Y497 HydrophobicContact CD-CE2 3.99Å; K465-Y497 HydrophobicContact CG-CD2 4.43Å; Y497-T499 HydrophobicContact CE1-CG2 3.88Å; Y497-V509 HydrophobicContact CD2-CG1 4.39Å; Y497-H510 AromaticContact CE2-ND1 3.78Å
498	S	84.8	Confident	83.4	Confident	39 Å²	39	52.7 Å²	52.7	27%	0.273	24%	0.241	S	C	.	.			trans	-148.4	136.9	176.6	-174.1	0	0	0	0	109.7	S500 H510	S498-S500 VanDerWaalsContact C-N 3.34Å; S498-S500 VanDerWaalsContact OG-CB 3.32Å; S498-S500 WeakPolarHBondContact OG-CB 3.38Å; S498-S500 PolarHBondContact OG-N 3.45Å; S498-S500 PolarHBondContact OG-OG 2.86Å; S498-H510 PolarHBondContact O-CE1 3.39Å; S498-H510 PolarHBondContact O-NE2 2.88Å
499	T	76.6	Confident	82.5	Confident	37 Å²	37	52.8 Å²	52.8	23%	0.227	24%	0.242	C	C	.	.			trans	-94.5	7.1	170.3	65.9	0	0	0	0	112.8	F417 Y497 L504	F417-T499 WeakPolarHBondContact O-CB 3.39Å; F417-T499 PolarHBondContact O-OG1 3.03Å; Y497-T499 HydrophobicContact CE1-CG2 3.88Å; T499-L504 WeakPolarHBondContact O-CD2 2.98Å
500	S	75.4	Confident	81.7	Confident	27 Å²	27	52.8 Å²	52.8	19%	0.189	24%	0.242	C	C	.	.			trans	-56.9	140.4	180	62.1	0	0	0	0	112.4	S498 Q502 Q503 L504	S498-S500 VanDerWaalsContact C-N 3.34Å; S498-S500 VanDerWaalsContact OG-CB 3.32Å; S498-S500 WeakPolarHBondContact OG-CB 3.38Å; S498-S500 PolarHBondContact OG-N 3.45Å; S498-S500 PolarHBondContact OG-OG 2.86Å; S500-Q502 PolarHBondContact O-N 2.85Å; S500-Q503 PolarHBondContact O-N 3.5Å; S500-Q503 WeakPolarHBondContact OG-CB 3.42Å; S500-Q503 VanDerWaalsContact OG-CG 3.26Å; S500-Q503 WeakPolarHBondContact OG-CG 3.24Å; S500-L504 WeakPolarHBondContact O-CG 3.2Å; S500-L504 PolarHBondContact O-N 2.61Å
501	V	70.9	Confident	81	Confident	66 Å²	66	53.8 Å²	53.8	40%	0.4	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-31.9	-174.6	159.2	0	0	0	0	113.8	F417 R438	F417-V501 HydrophobicContact CD1-CG2 4.47Å; F417-V501 HydrophobicContact CE1-CG2 4.38Å; R438-V501 PolarHBondContact NH2-O 2.82Å
502	Q	70.7	Confident	80.4	Confident	165 Å²	165	53.3 Å²	53.3	77%	0.771	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-46.3	176.9	-65.5	153.2	-14.3	0	0	111.6	S500 L504	S500-Q502 PolarHBondContact O-N 2.85Å; Q502-L504 VanDerWaalsContact C-N 3.34Å; Q502-L504 PolarHBondContact O-N 3.34Å
503	Q	76.4	Confident	79.7	Confident	65 Å²	65	54.2 Å²	54.2	30%	0.304	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-75.2	-15.8	-175.9	-62.2	-62	-13.9	0	0	114.2	S500 R505 N506 H510	S500-Q503 PolarHBondContact O-N 3.5Å; S500-Q503 WeakPolarHBondContact OG-CB 3.42Å; S500-Q503 VanDerWaalsContact OG-CG 3.26Å; S500-Q503 WeakPolarHBondContact OG-CG 3.24Å; Q503-R505 PolarHBondContact O-N 2.96Å; Q503-N506 WeakPolarHBondContact O-CA 3.39Å; Q503-N506 WeakPolarHBondContact O-CB 3.41Å; Q503-N506 PolarHBondContact O-N 3.16Å; Q503-N506 PolarHBondContact OE1-ND2 3.28Å; Q503-H510 PolarHBondContact O-CD2 2.71Å; Q503-H510 PolarHBondContact O-NE2 2.72Å
504	L	71.4	Confident	79	Confident	12 Å²	12	58.4 Å²	58.4	6%	0.063	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-62.8	-11.6	179	-62.3	-173.2	0	0	0	115.6	P419 L436 T499 S500 Q502 H510	P419-L504 HydrophobicContact CB-CD1 3.94Å; P419-L504 HydrophobicContact CB-CD2 3.92Å; P419-L504 HydrophobicContact CB-CG 4.5Å; P419-L504 HydrophobicContact CG-CD1 4.27Å; P419-L504 HydrophobicContact CG-CD2 3.56Å; L436-L504 HydrophobicContact CD1-CD2 4.14Å; T499-L504 WeakPolarHBondContact O-CD2 2.98Å; S500-L504 WeakPolarHBondContact O-CG 3.2Å; S500-L504 PolarHBondContact O-N 2.61Å; Q502-L504 VanDerWaalsContact C-N 3.34Å; Q502-L504 PolarHBondContact O-N 3.34Å; L504-H510 WeakPolarHBondContact CD2-NE2 3.09Å
505	R	74	Confident	78.3	Confident	221 Å²	221	60 Å²	60	83%	0.834	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-94	-14.9	168.8	-69.6	-176	177.2	178.3	0.7	113.1	Q503 R507	Q503-R505 PolarHBondContact O-N 2.96Å; R505-R507 PolarHBondContact O-N 3.31Å
506	N	78.4	Confident	77.5	Confident	32 Å²	32	58 Å²	58	17%	0.171	27%	0.271	C	S	.	.			trans	-76.3	110.1	-176.7	-172.5	-12.5	0	0	0	110.9	Q495 Q503 F508 V509 H510	Q495-N506 PolarHBondContact OE1-ND2 3Å; Q503-N506 WeakPolarHBondContact O-CA 3.39Å; Q503-N506 WeakPolarHBondContact O-CB 3.41Å; Q503-N506 PolarHBondContact O-N 3.16Å; Q503-N506 PolarHBondContact OE1-ND2 3.28Å; N506-F508 VanDerWaalsContact C-N 3.28Å; N506-F508 PolarHBondContact O-N 2.9Å; N506-F508 WeakPolarHBondContact OD1-CB 3.19Å; N506-F508 VanDerWaalsContact OD1-CD2 3.26Å; N506-F508 WeakPolarHBondContact OD1-CD2 3.36Å; N506-F508 PolarHBondContact OD1-N 3.04Å; N506-V509 HydrophobicContact CB-CB 4.4Å; N506-V509 HydrophobicContact CB-CG2 4.08Å; N506-V509 WeakPolarHBondContact ND2-CG2 3.42Å; N506-V509 PolarHBondContact O-N 3.41Å; N506-H510 PolarHBondContact O-CD2 2.93Å
507	R	79.3	Confident	76.9	Confident	134 Å²	134	51.1 Å²	51.1	51%	0.506	24%	0.241	S	C	.	.	H	α-helix	trans	-67.6	-28.7	-179.3	-59.7	-171.9	-60.4	177	1.4	112.5	R505 V509 H510 L511 V516	R505-R507 PolarHBondContact O-N 3.31Å; R507-V509 PolarHBondContact O-N 3Å; R507-H510 PolarHBondContact O-N 3.07Å; R507-L511 HydrophobicContact CB-CD1 4.19Å; R507-L511 HydrophobicContact CG-CD1 4.4Å; R507-L511 WeakPolarHBondContact O-CB 3.42Å; R507-L511 PolarHBondContact O-N 3.33Å; R507-V516 HydrophobicContact CB-CG1 3.72Å
508	F	78.1	Confident	76.1	Confident	41 Å²	41	53 Å²	53	18%	0.18	25%	0.25	C	C	.	.	H	α-helix	trans	-73.2	-14.2	-177.8	-51.6	-61.3	0	0	0	113.8	A493 S494 Q495 N506 V516 N520	A493-F508 WeakPolarHBondContact CB-O 3.39Å; S494-F508 PolarHBondContact N-O 3.25Å; Q495-F508 HydrophobicContact CB-CB 4.5Å; Q495-F508 HydrophobicContact CG-CB 4.01Å; Q495-F508 PolarHBondContact N-O 3.34Å; N506-F508 VanDerWaalsContact C-N 3.28Å; N506-F508 PolarHBondContact O-N 2.9Å; N506-F508 WeakPolarHBondContact OD1-CB 3.19Å; N506-F508 VanDerWaalsContact OD1-CD2 3.26Å; N506-F508 WeakPolarHBondContact OD1-CD2 3.36Å; N506-F508 PolarHBondContact OD1-N 3.04Å; F508-V516 HydrophobicContact CD1-CG1 4.36Å; F508-V516 WeakPolarHBondContact CE1-O 3.42Å; F508-N520 HydrophobicContact CD1-CB 3.71Å; F508-N520 HydrophobicContact CD2-CB 4.38Å; F508-N520 HydrophobicContact CE1-CB 3.75Å; F508-N520 HydrophobicContact CE2-CB 4.43Å; F508-N520 HydrophobicContact CG-CB 4.03Å; F508-N520 HydrophobicContact CZ-CB 4.12Å
509	V	76.6	Confident	75.3	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.012	26%	0.258	C	S	.	.	H	α-helix	trans	-93	-40.9	174.6	173.1	0	0	0	0	111.3	Q495 Y497 N506 R507	Q495-V509 HydrophobicContact CB-CG2 3.83Å; Y497-V509 HydrophobicContact CD2-CG1 4.39Å; N506-V509 HydrophobicContact CB-CB 4.4Å; N506-V509 HydrophobicContact CB-CG2 4.08Å; N506-V509 WeakPolarHBondContact ND2-CG2 3.42Å; N506-V509 PolarHBondContact O-N 3.41Å; R507-V509 PolarHBondContact O-N 3Å
510	H	80.5	Confident	74.8	Confident	7 Å²	7	55.2 Å²	55.2	3%	0.032	25%	0.249	C	C	.	.	H	α-helix	trans	-102.4	-21.7	-167.5	-67.3	-66	0	0	0	115.3	L436 Y454 K465 Y497 S498 Q503 L504 N506 R507	L436-H510 HydrophobicContact CD1-CB 4.13Å; Y454-H510 AromaticContact CZ-ND1 3.83Å; Y454-H510 PolarHBondContact OH-ND1 3.41Å; K465-H510 PolarHBondContact NZ-O 2.83Å; Y497-H510 AromaticContact CE2-ND1 3.78Å; S498-H510 PolarHBondContact O-CE1 3.39Å; S498-H510 PolarHBondContact O-NE2 2.88Å; Q503-H510 PolarHBondContact O-CD2 2.71Å; Q503-H510 PolarHBondContact O-NE2 2.72Å; L504-H510 WeakPolarHBondContact CD2-NE2 3.09Å; N506-H510 PolarHBondContact O-CD2 2.93Å; R507-H510 PolarHBondContact O-N 3.07Å
511	L	81.9	Confident	74	Confident	22 Å²	22	63.4 Å²	63.4	12%	0.115	28%	0.282	C	S	.	.			trans	-111.6	129.4	177.5	-52.9	-177.8	0	0	0	110.1	V434 R507 V516 N517	V434-L511 HydrophobicContact CG1-CD2 3.98Å; R507-L511 HydrophobicContact CB-CD1 4.19Å; R507-L511 HydrophobicContact CG-CD1 4.4Å; R507-L511 WeakPolarHBondContact O-CB 3.42Å; R507-L511 PolarHBondContact O-N 3.33Å; L511-V516 HydrophobicContact CB-CG1 4.41Å; L511-V516 HydrophobicContact CB-CG2 4.48Å; L511-V516 HydrophobicContact CD1-CG1 4.46Å; L511-V516 HydrophobicContact CD1-CG2 4.09Å; L511-N517 PolarHBondContact O-ND2 3.31Å
512	T	79.8	Confident	73.3	Confident	13 Å²	13	65 Å²	65	8%	0.08	29%	0.292	C	S	.	.			trans	-95.6	-3.6	-178	44.9	0	0	0	0	112.9	K465 D467 A493 Y514	K465-T512 HydrophobicContact CD-CG2 4.37Å; K465-T512 HydrophobicContact CG-CG2 4.06Å; D467-T512 WeakPolarHBondContact OD1-CB 3.11Å; D467-T512 PolarHBondContact OD1-OG1 3.37Å; A493-T512 HydrophobicContact CB-CG2 4.18Å; T512-Y514 PolarHBondContact O-N 3.48Å
513	N	79.5	Confident	72.4	Confident	28 Å²	28	59.8 Å²	59.8	15%	0.15	27%	0.268	C	S	.	.			trans	-60.7	126.6	179.8	-82.2	-36.6	0	0	0	111.5	G431 R491 S515 V516 N517	G431-N513 PolarHBondContact N-ND2 2.9Å; R491-N513 PolarHBondContact NH1-OD1 3.15Å; N513-S515 PolarHBondContact O-N 3.47Å; N513-V516 HydrophobicContact CB-CB 4.43Å; N513-V516 HydrophobicContact CB-CG2 4.06Å; N513-V516 WeakPolarHBondContact O-CB 3.45Å; N513-V516 PolarHBondContact O-N 3.34Å; N513-N517 PolarHBondContact O-N 2.86Å; N513-N517 PolarHBondContact O-ND2 3.37Å
514	Y	74.7	Confident	70.9	Confident	88 Å²	88	66.3 Å²	66.3	35%	0.345	30%	0.298	S	S	.	.	H	α-helix	trans	-54.4	-38.1	174.1	177.7	-106.2	0	0	0	112.6	T512 V516 N517 K518 K531	T512-Y514 PolarHBondContact O-N 3.48Å; Y514-V516 PolarHBondContact O-N 3.09Å; Y514-N517 PolarHBondContact O-N 2.93Å; Y514-K518 HydrophobicContact CE2-CB 4.44Å; Y514-K518 WeakPolarHBondContact O-CB 3.22Å; Y514-K518 PolarHBondContact O-N 2.91Å; Y514-K531 VanDerWaalsContact CD2-CE 3.46Å
515	S	70	Confident	69.9	Low	33 Å²	33	69.5 Å²	69.5	23%	0.231	32%	0.318	C	S	.	.	H	α-helix	trans	-65.3	-16.8	175.7	59.4	0	0	0	0	114.9	R430 N513 Y519	R430-S515 WeakPolarHBondContact CA-OG 3.37Å; R430-S515 PolarHBondContact O-OG 3.1Å; R430-S515 VanDerWaalsContact O-OG 3.05Å; N513-S515 PolarHBondContact O-N 3.47Å; S515-Y519 WeakPolarHBondContact O-CE2 3.23Å
516	V	69.4	Low	68.7	Low	5 Å²	5	60.6 Å²	60.6	3%	0.03	29%	0.285	C	S	.	.	H	α-helix	trans	-92.7	-49.2	170.8	176.9	0	0	0	0	108.9	R430 R507 F508 L511 N513 Y514 K518	R430-V516 WeakPolarHBondContact O-CG2 3.32Å; R507-V516 HydrophobicContact CB-CG1 3.72Å; F508-V516 HydrophobicContact CD1-CG1 4.36Å; F508-V516 WeakPolarHBondContact CE1-O 3.42Å; L511-V516 HydrophobicContact CB-CG1 4.41Å; L511-V516 HydrophobicContact CB-CG2 4.48Å; L511-V516 HydrophobicContact CD1-CG1 4.46Å; L511-V516 HydrophobicContact CD1-CG2 4.09Å; N513-V516 HydrophobicContact CB-CB 4.43Å; N513-V516 HydrophobicContact CB-CG2 4.06Å; N513-V516 WeakPolarHBondContact O-CB 3.45Å; N513-V516 PolarHBondContact O-N 3.34Å; Y514-V516 PolarHBondContact O-N 3.09Å; V516-K518 PolarHBondContact O-N 3.5Å
517	N	77.5	Confident	67.3	Low	3 Å²	3	62.7 Å²	62.7	2%	0.016	31%	0.307	C	S	.	.	H	α-helix	trans	-67.5	-34.2	-172.6	-76.4	-76.3	0	0	0	112.9	S494 L511 N513 Y514 Y519 N520 F526	S494-N517 WeakPolarHBondContact CB-OD1 3.21Å; S494-N517 PolarHBondContact N-OD1 2.8Å; S494-N517 PolarHBondContact OG-OD1 3.11Å; L511-N517 PolarHBondContact O-ND2 3.31Å; N513-N517 PolarHBondContact O-N 2.86Å; N513-N517 PolarHBondContact O-ND2 3.37Å; Y514-N517 PolarHBondContact O-N 2.93Å; N517-Y519 PolarHBondContact O-N 3.36Å; N517-N520 PolarHBondContact O-N 2.99Å; N517-F526 HydrophobicContact CB-CE1 4.24Å; N517-F526 HydrophobicContact CB-CZ 3.92Å; N517-F526 WeakPolarHBondContact O-CE1 3.41Å; N517-F526 WeakPolarHBondContact O-CZ 3.26Å
518	K	71.5	Confident	66	Low	74 Å²	74	59.9 Å²	59.9	32%	0.322	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-15.2	-179.2	74.2	149.1	177.9	151.3	0	115.8	D217 Y514 V516	D217-K518 IonicContact OD2-NZ 2.77Å; D217-K518 PolarHBondContact OD2-NZ 2.94Å; Y514-K518 HydrophobicContact CE2-CB 4.44Å; Y514-K518 WeakPolarHBondContact O-CB 3.22Å; Y514-K518 PolarHBondContact O-N 2.91Å; V516-K518 PolarHBondContact O-N 3.5Å
519	Y	68.1	Low	65.3	Low	111 Å²	111	62.2 Å²	62.2	44%	0.435	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-0.4	179.4	-60.8	-65.8	0	0	0	114.6	S515 N517 K521	S515-Y519 WeakPolarHBondContact O-CE2 3.23Å; N517-Y519 PolarHBondContact O-N 3.36Å; Y519-K521 PolarHBondContact O-N 3.34Å
520	N	66.7	Low	65.4	Low	10 Å²	10	62.6 Å²	62.6	5%	0.053	32%	0.324	C	S	.	.			trans	-83	92	176.5	-174.5	36.8	0	0	0	111.2	S494 Q495 F508 N517 T522 F526	S494-N520 PolarHBondContact OG-ND2 3.48Å; Q495-N520 PolarHBondContact NE2-ND2 3.29Å; Q495-N520 PolarHBondContact NE2-OD1 3.34Å; F508-N520 HydrophobicContact CD1-CB 3.71Å; F508-N520 HydrophobicContact CD2-CB 4.38Å; F508-N520 HydrophobicContact CE1-CB 3.75Å; F508-N520 HydrophobicContact CE2-CB 4.43Å; F508-N520 HydrophobicContact CG-CB 4.03Å; F508-N520 HydrophobicContact CZ-CB 4.12Å; N517-N520 PolarHBondContact O-N 2.99Å; N520-T522 PolarHBondContact ND2-OG1 3.35Å; N520-T522 PolarHBondContact O-N 2.79Å; N520-T522 PolarHBondContact OD1-OG1 3.45Å; N520-F526 HydrophobicContact CB-CE2 4.03Å; N520-F526 HydrophobicContact CB-CZ 4.4Å; N520-F526 WeakPolarHBondContact O-CE2 3.47Å
521	K	58.2	Low	65.8	Low	200 Å²	200	63.1 Å²	63.1	87%	0.87	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	2.9	-175.5	-62.6	-172	175.6	-171.9	0	116.1	Y519	Y519-K521 PolarHBondContact O-N 3.34Å
522	T	56.2	Low	66.4	Low	100 Å²	100	64.7 Å²	64.7	61%	0.613	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-4.8	-169.1	68	0	0	0	0	115.7	N520	N520-T522 PolarHBondContact ND2-OG1 3.35Å; N520-T522 PolarHBondContact O-N 2.79Å; N520-T522 PolarHBondContact OD1-OG1 3.45Å
523	E	52	Low	67.1	Low	55 Å²	55	67 Å²	67	26%	0.257	34%	0.34	S	S	.	.			trans	-129.5	101.9	173.3	-69.9	-175.4	-162.6	0	0	108.1	K464 T525 F526 H530	K464-E523 IonicContact NZ-OE1 3.08Å; K464-E523 PolarHBondContact NZ-OE1 2.86Å; K464-E523 IonicContact NZ-OE2 2.75Å; K464-E523 PolarHBondContact NZ-OE2 3.1Å; E523-T525 PolarHBondContact O-N 2.83Å; E523-T525 VanDerWaalsContact O-N 3.17Å; E523-F526 HydrophobicContact CB-CD2 4.42Å; E523-F526 WeakPolarHBondContact O-CB 3.37Å; E523-F526 WeakPolarHBondContact O-CD2 3.34Å; E523-F526 PolarHBondContact O-N 3.2Å; E523-H530 IonicContact OE2-CE1 3.19Å; E523-H530 PolarHBondContact OE2-CE1 2.86Å; E523-H530 IonicContact OE2-NE2 3.67Å
524	E	45.6	Very low	67.9	Low	201 Å²	201	65.7 Å²	65.7	94%	0.939	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.9	-177.9	-64.9	-176.8	135.9	0	0	112.8	F526	E524-F526 PolarHBondContact O-N 3.02Å; E524-F526 VanDerWaalsContact O-N 3.15Å
525	T	50.3	Low	68.9	Low	79 Å²	79	63.9 Å²	63.9	49%	0.485	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	25.1	173.2	49	0	0	0	0	113.9	E523 A527 S528	E523-T525 PolarHBondContact O-N 2.83Å; E523-T525 VanDerWaalsContact O-N 3.17Å; T525-A527 PolarHBondContact O-N 2.98Å; T525-S528 PolarHBondContact O-N 3.18Å; T525-S528 PolarHBondContact O-OG 3.32Å
526	F	49	Very low	70.1	Confident	34 Å²	34	65.3 Å²	65.3	15%	0.149	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-25.8	-169.1	-145.6	-89.1	0	0	0	115.9	N517 N520 E523 E524 H530	N517-F526 HydrophobicContact CB-CE1 4.24Å; N517-F526 HydrophobicContact CB-CZ 3.92Å; N517-F526 WeakPolarHBondContact O-CE1 3.41Å; N517-F526 WeakPolarHBondContact O-CZ 3.26Å; N520-F526 HydrophobicContact CB-CE2 4.03Å; N520-F526 HydrophobicContact CB-CZ 4.4Å; N520-F526 WeakPolarHBondContact O-CE2 3.47Å; E523-F526 HydrophobicContact CB-CD2 4.42Å; E523-F526 WeakPolarHBondContact O-CB 3.37Å; E523-F526 WeakPolarHBondContact O-CD2 3.34Å; E523-F526 PolarHBondContact O-N 3.2Å; E524-F526 PolarHBondContact O-N 3.02Å; E524-F526 VanDerWaalsContact O-N 3.15Å; F526-H530 AromaticContact CD1-CD2 3.76Å; F526-H530 AromaticContact CD2-CD2 3.76Å; F526-H530 AromaticContact CD2-NE2 3.59Å; F526-H530 AromaticContact CE1-CD2 3.51Å; F526-H530 AromaticContact CE2-CD2 3.51Å; F526-H530 AromaticContact CE2-NE2 3.3Å; F526-H530 VanDerWaalsContact CE2-NE2 3.3Å; F526-H530 WeakPolarHBondContact CE2-NE2 3.26Å; F526-H530 AromaticContact CG-CD2 3.85Å; F526-H530 AromaticContact CZ-CD2 3.34Å; F526-H530 WeakPolarHBondContact CZ-CD2 3.46Å; F526-H530 AromaticContact CZ-NE2 3.6Å
527	A	47.9	Very low	71.4	Confident	76 Å²	76	65.1 Å²	65.1	63%	0.628	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-35.9	-173.5	0	0	0	0	0	113.9	T525	T525-A527 PolarHBondContact O-N 2.98Å
528	S	52	Low	72.3	Confident	75 Å²	75	66.7 Å²	66.7	52%	0.524	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-43	-173.5	56	0	0	0	0	113.1	T525 H530	T525-S528 PolarHBondContact O-N 3.18Å; T525-S528 PolarHBondContact O-OG 3.32Å; S528-H530 VanDerWaalsContact C-N 3.32Å; S528-H530 PolarHBondContact O-N 2.99Å
529	N	63.7	Low	73.5	Confident	90 Å²	90	66.3 Å²	66.3	48%	0.481	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	12.3	-160.9	-63.8	-2.1	0	0	0	114.4
530	H	79.4	Confident	74.9	Confident	10 Å²	10	62.4 Å²	62.4	5%	0.046	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.2	2.3	-171.8	-67.2	-18.8	0	0	0	115.4	F492 E523 F526 S528	F492-H530 PolarHBondContact N-O 3.13Å; F492-H530 VanDerWaalsContact N-O 3.08Å; E523-H530 IonicContact OE2-CE1 3.19Å; E523-H530 PolarHBondContact OE2-CE1 2.86Å; E523-H530 IonicContact OE2-NE2 3.67Å; F526-H530 AromaticContact CD1-CD2 3.76Å; F526-H530 AromaticContact CD2-CD2 3.76Å; F526-H530 AromaticContact CD2-NE2 3.59Å; F526-H530 AromaticContact CE1-CD2 3.51Å; F526-H530 AromaticContact CE2-CD2 3.51Å; F526-H530 AromaticContact CE2-NE2 3.3Å; F526-H530 VanDerWaalsContact CE2-NE2 3.3Å; F526-H530 WeakPolarHBondContact CE2-NE2 3.26Å; F526-H530 AromaticContact CG-CD2 3.85Å; F526-H530 AromaticContact CZ-CD2 3.34Å; F526-H530 WeakPolarHBondContact CZ-CD2 3.46Å; F526-H530 AromaticContact CZ-NE2 3.6Å; S528-H530 VanDerWaalsContact C-N 3.32Å; S528-H530 PolarHBondContact O-N 2.99Å
531	K	89.3	Confident	76.3	Confident	18 Å²	18	62 Å²	62	8%	0.078	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	131.2	172.7	-64.2	173.3	-169.6	161.6	0	109.6	V490 Y514 L617 D618	V490-K531 VanDerWaalsContact O-CA 3.29Å; V490-K531 WeakPolarHBondContact O-CA 3.37Å; Y514-K531 VanDerWaalsContact CD2-CE 3.46Å; K531-L617 HydrophobicContact CB-CD2 4.18Å; K531-D618 IonicContact NZ-OD2 3.58Å; K531-D618 PolarHBondContact NZ-OD2 2.95Å
532	W	93.9	Very high	78.1	Confident	55 Å²	55	56.6 Å²	56.6	21%	0.208	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	162	164.6	-62.7	-12.3	0	0	0	110.7	I461 V490 F492 T536 L537 Y540	I461-W532 HydrophobicContact CD1-CH2 4.28Å; I461-W532 HydrophobicContact CD1-CZ3 3.92Å; I461-W532 HydrophobicContact CG2-CH2 3.56Å; I461-W532 HydrophobicContact CG2-CZ2 4.13Å; I461-W532 HydrophobicContact CG2-CZ3 4.26Å; V490-W532 HydrophobicContact CB-CB 4.16Å; V490-W532 PolarHBondContact N-O 2.88Å; V490-W532 PolarHBondContact O-N 3.29Å; F492-W532 HydrophobicContact CE2-CB 4.21Å; F492-W532 AromaticContact CE2-CD1 3.95Å; F492-W532 AromaticContact CE2-CD2 3.72Å; F492-W532 HydrophobicContact CE2-CD2 3.72Å; F492-W532 AromaticContact CE2-CE2 4Å; F492-W532 HydrophobicContact CE2-CE3 4.25Å; F492-W532 AromaticContact CE2-CG 3.69Å; F492-W532 HydrophobicContact CE2-CG 3.69Å; F492-W532 AromaticContact CZ-CD2 3.56Å; F492-W532 HydrophobicContact CZ-CD2 3.56Å; F492-W532 AromaticContact CZ-CE2 3.68Å; F492-W532 AromaticContact CZ-CE3 3.77Å; F492-W532 HydrophobicContact CZ-CE3 3.77Å; F492-W532 HydrophobicContact CZ-CG 4.07Å; F492-W532 HydrophobicContact CZ-CH2 4.18Å; F492-W532 AromaticContact CZ-CZ2 3.99Å; F492-W532 HydrophobicContact CZ-CZ2 3.99Å; F492-W532 HydrophobicContact CZ-CZ3 4.08Å; W532-T536 HydrophobicContact CB-CG2 4.34Å; W532-T536 HydrophobicContact CD2-CG2 4.01Å; W532-T536 HydrophobicContact CE3-CG2 4Å; W532-T536 HydrophobicContact CG-CG2 4.18Å; W532-L537 HydrophobicContact CE3-CB 4.45Å; W532-Y540 AromaticContact CH2-CD2 3.58Å; W532-Y540 HydrophobicContact CH2-CD2 3.58Å; W532-Y540 AromaticContact CH2-CE2 3.95Å; W532-Y540 HydrophobicContact CH2-CE2 3.95Å; W532-Y540 HydrophobicContact CH2-CG 4.14Å; W532-Y540 AromaticContact CZ3-CD2 3.84Å; W532-Y540 HydrophobicContact CZ3-CD2 3.84Å; W532-Y540 HydrophobicContact CZ3-CE2 4.48Å; W532-Y540 AromaticContact CZ3-CG 3.9Å; W532-Y540 HydrophobicContact CZ3-CG 3.9Å
533	K	94.7	Very high	80	Confident	62 Å²	62	58.5 Å²	58.5	27%	0.27	32%	0.32	S	S	.	.			trans	-69.2	152.6	158.3	-71.9	178.6	-176.5	172.6	0	109.4	E487 S535 T536 L537 L617 E620 V621	E487-K533 WeakPolarHBondContact OE1-CA 3.24Å; E487-K533 WeakPolarHBondContact OE1-CB 3.48Å; K533-S535 VanDerWaalsContact C-N 3.29Å; K533-S535 WeakPolarHBondContact CB-OG 3.43Å; K533-T536 WeakPolarHBondContact O-CB 3.45Å; K533-T536 PolarHBondContact O-N 3.12Å; K533-L537 PolarHBondContact O-N 2.9Å; K533-L617 HydrophobicContact CG-CD1 4.23Å; K533-L617 HydrophobicContact CG-CG 4.2Å; K533-E620 WeakPolarHBondContact CE-OE2 3.26Å; K533-E620 IonicContact NZ-OE2 2.68Å; K533-E620 PolarHBondContact NZ-OE2 2.99Å; K533-V621 HydrophobicContact CG-CG2 4.26Å
534	L	96.2	Very high	82.1	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-61.3	-39.8	173.8	-172	63.4	0	0	0	111.2	I468 L470 E487 V490 T536 L537 W538 W552	I468-L534 HydrophobicContact CG2-CD1 3.53Å; L470-L534 HydrophobicContact CD2-CD1 4.23Å; L470-L534 HydrophobicContact CD2-CD2 3.5Å; L470-L534 VanDerWaalsContact CD2-CD2 3.5Å; E487-L534 WeakPolarHBondContact OE1-CA 2.98Å; E487-L534 VanDerWaalsContact OE1-CB 3.23Å; E487-L534 WeakPolarHBondContact OE1-CB 3.33Å; E487-L534 PolarHBondContact OE1-N 3.14Å; V490-L534 HydrophobicContact CG2-CD1 4.29Å; L534-T536 VanDerWaalsContact C-N 3.29Å; L534-T536 PolarHBondContact O-N 3.42Å; L534-L537 HydrophobicContact CD1-CD2 4.5Å; L534-L537 WeakPolarHBondContact O-CB 3.43Å; L534-L537 PolarHBondContact O-N 3.5Å; L534-L537 VanDerWaalsContact O-N 3.11Å; L534-W538 HydrophobicContact CD1-CD2 4.45Å; L534-W538 HydrophobicContact CD1-CH2 3.87Å; L534-W538 HydrophobicContact CD1-CZ2 3.48Å; L534-W538 VanDerWaalsContact CD1-CZ2 3.48Å; L534-W538 HydrophobicContact CD1-CZ3 4.47Å; L534-W538 HydrophobicContact CD2-CZ2 4Å; L534-W538 HydrophobicContact CG-CD2 4.4Å; L534-W538 HydrophobicContact CG-CZ2 3.72Å; L534-W538 PolarHBondContact O-N 3.34Å; L534-W552 HydrophobicContact CD2-CH2 4.23Å; L534-W552 HydrophobicContact CD2-CZ3 4Å
535	S	95.1	Very high	84.4	Confident	51 Å²	51	55.9 Å²	55.9	36%	0.357	32%	0.321	S	S	.	.	H	α-helix	trans	-54.9	-40.9	171.9	46.1	0	0	0	0	113	E487 K533 L537 W538 S539	E487-S535 VanDerWaalsContact OE2-CB 3.27Å; E487-S535 WeakPolarHBondContact OE2-CB 3.41Å; E487-S535 PolarHBondContact OE2-N 2.93Å; E487-S535 PolarHBondContact OE2-OG 2.89Å; K533-S535 VanDerWaalsContact C-N 3.29Å; K533-S535 WeakPolarHBondContact CB-OG 3.43Å; S535-L537 PolarHBondContact O-N 3.03Å; S535-W538 WeakPolarHBondContact O-CB 3.03Å; S535-W538 PolarHBondContact O-N 2.76Å; S535-S539 PolarHBondContact O-N 3.41Å; S535-S539 PolarHBondContact O-OG 2.87Å
536	T	96.2	Very high	86.5	Confident	63 Å²	63	53 Å²	53	39%	0.387	31%	0.306	S	S	.	.	H	α-helix	trans	-63	-39.9	175.6	-46.7	0	0	0	0	112.4	W532 K533 L534 W538 S539 Y540	W532-T536 HydrophobicContact CB-CG2 4.34Å; W532-T536 HydrophobicContact CD2-CG2 4.01Å; W532-T536 HydrophobicContact CE3-CG2 4Å; W532-T536 HydrophobicContact CG-CG2 4.18Å; K533-T536 WeakPolarHBondContact O-CB 3.45Å; K533-T536 PolarHBondContact O-N 3.12Å; L534-T536 VanDerWaalsContact C-N 3.29Å; L534-T536 PolarHBondContact O-N 3.42Å; T536-W538 VanDerWaalsContact C-N 3.35Å; T536-S539 PolarHBondContact O-N 2.81Å; T536-Y540 WeakPolarHBondContact O-CB 3.32Å; T536-Y540 PolarHBondContact O-N 3.48Å
537	L	96.5	Very high	88.7	Confident	0 Å²	0	56 Å²	56	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-67.1	-36	174.7	175.2	65.8	0	0	0	111.9	I461 F466 I468 V490 W532 K533 L534 S535 Y540 L541	I461-L537 HydrophobicContact CD1-CD1 3.65Å; F466-L537 HydrophobicContact CE2-CD1 4.32Å; F466-L537 HydrophobicContact CE2-CD2 3.92Å; F466-L537 HydrophobicContact CZ-CD1 4.25Å; I468-L537 HydrophobicContact CD1-CD2 3.66Å; I468-L537 HydrophobicContact CG1-CD2 3.92Å; V490-L537 HydrophobicContact CG1-CD2 4.22Å; V490-L537 HydrophobicContact CG2-CB 3.87Å; V490-L537 HydrophobicContact CG2-CD2 3.79Å; V490-L537 HydrophobicContact CG2-CG 4.46Å; W532-L537 HydrophobicContact CE3-CB 4.45Å; K533-L537 PolarHBondContact O-N 2.9Å; L534-L537 HydrophobicContact CD1-CD2 4.5Å; L534-L537 WeakPolarHBondContact O-CB 3.43Å; L534-L537 PolarHBondContact O-N 3.5Å; L534-L537 VanDerWaalsContact O-N 3.11Å; S535-L537 PolarHBondContact O-N 3.03Å; L537-Y540 PolarHBondContact O-N 3.42Å; L537-L541 HydrophobicContact CD1-CD1 3.95Å; L537-L541 HydrophobicContact CD1-CG 4.01Å; L537-L541 HydrophobicContact CG-CD1 3.99Å; L537-L541 HydrophobicContact CG-CG 4.42Å; L537-L541 WeakPolarHBondContact O-CB 3.44Å; L537-L541 VanDerWaalsContact O-CG 3.32Å; L537-L541 WeakPolarHBondContact O-CG 3.34Å; L537-L541 PolarHBondContact O-N 2.95Å
538	W	96.4	Very high	90.9	Very high	37 Å²	37	53.2 Å²	53.2	14%	0.14	30%	0.298	C	S	.	.	H	α-helix	trans	-64.8	-43.4	174.3	-64	163.5	0	0	0	112.2	I468 L534 S535 T536 L541 T542 V548 L551 W552 I555	I468-W538 HydrophobicContact CD1-CH2 4.4Å; L534-W538 HydrophobicContact CD1-CD2 4.45Å; L534-W538 HydrophobicContact CD1-CH2 3.87Å; L534-W538 HydrophobicContact CD1-CZ2 3.48Å; L534-W538 VanDerWaalsContact CD1-CZ2 3.48Å; L534-W538 HydrophobicContact CD1-CZ3 4.47Å; L534-W538 HydrophobicContact CD2-CZ2 4Å; L534-W538 HydrophobicContact CG-CD2 4.4Å; L534-W538 HydrophobicContact CG-CZ2 3.72Å; L534-W538 PolarHBondContact O-N 3.34Å; S535-W538 WeakPolarHBondContact O-CB 3.03Å; S535-W538 PolarHBondContact O-N 2.76Å; T536-W538 VanDerWaalsContact C-N 3.35Å; W538-L541 HydrophobicContact CE3-CD1 4.08Å; W538-L541 HydrophobicContact CZ3-CD1 4.05Å; W538-L541 PolarHBondContact O-N 3.36Å; W538-T542 WeakPolarHBondContact O-CB 3.45Å; W538-T542 PolarHBondContact O-N 3.11Å; W538-T542 PolarHBondContact O-OG1 3.11Å; W538-V548 HydrophobicContact CB-CG1 3.91Å; W538-V548 HydrophobicContact CD2-CG1 3.63Å; W538-V548 HydrophobicContact CE3-CG1 3.79Å; W538-V548 HydrophobicContact CG-CG1 3.7Å; W538-L551 HydrophobicContact CZ3-CD2 3.99Å; W538-W552 HydrophobicContact CH2-CE3 4.42Å; W538-W552 AromaticContact CZ2-CE3 3.57Å; W538-W552 HydrophobicContact CZ2-CE3 3.57Å; W538-W552 AromaticContact CZ2-CZ3 3.89Å; W538-W552 HydrophobicContact CZ2-CZ3 3.89Å; W538-I555 HydrophobicContact CH2-CD1 3.94Å
539	S	96.5	Very high	92.9	Very high	65 Å²	65	55.8 Å²	55.8	46%	0.455	31%	0.305	S	S	.	.	H	α-helix	trans	-58.9	-54	171	-63.9	0	0	0	0	111.5	S535 T536 L541 T542 E543	S535-S539 PolarHBondContact O-N 3.41Å; S535-S539 PolarHBondContact O-OG 2.87Å; T536-S539 PolarHBondContact O-N 2.81Å; S539-L541 VanDerWaalsContact C-N 3.26Å; S539-L541 PolarHBondContact O-N 3.45Å; S539-T542 PolarHBondContact O-N 3.16Å; S539-T542 VanDerWaalsContact O-N 3.08Å; S539-E543 WeakPolarHBondContact O-CB 3.2Å; S539-E543 VanDerWaalsContact O-CG 3.27Å; S539-E543 WeakPolarHBondContact O-CG 3.23Å; S539-E543 PolarHBondContact O-N 2.8Å
540	Y	96.6	Very high	94.4	Very high	30 Å²	30	55.5 Å²	55.5	12%	0.118	30%	0.304	C	S	.	.	H	α-helix	trans	-53.7	-39.3	179.8	175.6	-78.7	0	0	0	113.4	Y459 I461 W532 T536 L537 R544	Y459-Y540 HydrophobicContact CE1-CE1 4.13Å; I461-Y540 HydrophobicContact CD1-CD1 3.97Å; I461-Y540 HydrophobicContact CD1-CE1 3.72Å; I461-Y540 HydrophobicContact CG1-CD1 4.42Å; I461-Y540 HydrophobicContact CG1-CE1 3.67Å; I461-Y540 HydrophobicContact CG2-CE2 3.86Å; W532-Y540 AromaticContact CH2-CD2 3.58Å; W532-Y540 HydrophobicContact CH2-CD2 3.58Å; W532-Y540 AromaticContact CH2-CE2 3.95Å; W532-Y540 HydrophobicContact CH2-CE2 3.95Å; W532-Y540 HydrophobicContact CH2-CG 4.14Å; W532-Y540 AromaticContact CZ3-CD2 3.84Å; W532-Y540 HydrophobicContact CZ3-CD2 3.84Å; W532-Y540 HydrophobicContact CZ3-CE2 4.48Å; W532-Y540 AromaticContact CZ3-CG 3.9Å; W532-Y540 HydrophobicContact CZ3-CG 3.9Å; T536-Y540 WeakPolarHBondContact O-CB 3.32Å; T536-Y540 PolarHBondContact O-N 3.48Å; L537-Y540 PolarHBondContact O-N 3.42Å; Y540-R544 VanDerWaalsContact CE2-NH2 3.29Å; Y540-R544 VanDerWaalsContact CZ-NE 3.28Å; Y540-R544 WeakPolarHBondContact O-CD 3.41Å; Y540-R544 PolarHBondContact O-NH1 3.41Å; Y540-R544 PolarHBondContact OH-NE 2.65Å
541	L	96.7	Very high	95.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-77.1	-39.5	178.1	-74.6	176.6	0	0	0	112.3	Y459 L537 W538 S539 R544 G545 A546 V548 L551 L594 L598	Y459-L541 HydrophobicContact CD1-CD2 4.41Å; Y459-L541 HydrophobicContact CE1-CD2 3.61Å; L537-L541 HydrophobicContact CD1-CD1 3.95Å; L537-L541 HydrophobicContact CD1-CG 4.01Å; L537-L541 HydrophobicContact CG-CD1 3.99Å; L537-L541 HydrophobicContact CG-CG 4.42Å; L537-L541 WeakPolarHBondContact O-CB 3.44Å; L537-L541 VanDerWaalsContact O-CG 3.32Å; L537-L541 WeakPolarHBondContact O-CG 3.34Å; L537-L541 PolarHBondContact O-N 2.95Å; W538-L541 HydrophobicContact CE3-CD1 4.08Å; W538-L541 HydrophobicContact CZ3-CD1 4.05Å; W538-L541 PolarHBondContact O-N 3.36Å; S539-L541 VanDerWaalsContact C-N 3.26Å; S539-L541 PolarHBondContact O-N 3.45Å; L541-R544 CarbonylContact O-C 3.55Å; L541-R544 PolarHBondContact O-N 3.25Å; L541-R544 VanDerWaalsContact O-N 3.09Å; L541-G545 PolarHBondContact O-N 3.36Å; L541-A546 HydrophobicContact CB-CB 4.12Å; L541-A546 WeakPolarHBondContact O-CB 3.26Å; L541-A546 PolarHBondContact O-N 2.84Å; L541-V548 HydrophobicContact CB-CG2 3.82Å; L541-L551 HydrophobicContact CD1-CD2 4.02Å; L541-L594 HydrophobicContact CD1-CD1 4.22Å; L541-L598 HydrophobicContact CD2-CD2 4.07Å
542	T	96.1	Very high	95.6	Very high	87 Å²	87	55.2 Å²	55.2	53%	0.534	30%	0.302	S	S	.	.	H	α-helix	trans	-63.9	-41.6	176.6	-54.5	0	0	0	0	111.3	W538 S539 R544 G545 V548	W538-T542 WeakPolarHBondContact O-CB 3.45Å; W538-T542 PolarHBondContact O-N 3.11Å; W538-T542 PolarHBondContact O-OG1 3.11Å; S539-T542 PolarHBondContact O-N 3.16Å; S539-T542 VanDerWaalsContact O-N 3.08Å; T542-R544 PolarHBondContact O-N 2.94Å; T542-R544 VanDerWaalsContact O-N 3.14Å; T542-G545 PolarHBondContact O-N 3.03Å; T542-V548 WeakPolarHBondContact OG1-CG2 3.41Å
543	E	95.8	Very high	95.6	Very high	141 Å²	141	55 Å²	55	66%	0.659	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.5	173.2	-71.7	157.9	-157.9	0	0	113.4	S539	S539-E543 WeakPolarHBondContact O-CB 3.2Å; S539-E543 VanDerWaalsContact O-CG 3.27Å; S539-E543 WeakPolarHBondContact O-CG 3.23Å; S539-E543 PolarHBondContact O-N 2.8Å
544	R	95	Very high	95.7	Very high	129 Å²	129	56.4 Å²	56.4	49%	0.487	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	14.1	178	-71.5	165	-177.9	67	5.2	112.8	Y540 L541 T542 A546	Y540-R544 VanDerWaalsContact CE2-NH2 3.29Å; Y540-R544 VanDerWaalsContact CZ-NE 3.28Å; Y540-R544 WeakPolarHBondContact O-CD 3.41Å; Y540-R544 PolarHBondContact O-NH1 3.41Å; Y540-R544 PolarHBondContact OH-NE 2.65Å; L541-R544 CarbonylContact O-C 3.55Å; L541-R544 PolarHBondContact O-N 3.25Å; L541-R544 VanDerWaalsContact O-N 3.09Å; T542-R544 PolarHBondContact O-N 2.94Å; T542-R544 VanDerWaalsContact O-N 3.14Å; R544-A546 VanDerWaalsContact C-N 3.33Å; R544-A546 PolarHBondContact O-N 3.39Å
545	G	94.6	Very high	95.8	Very high	72 Å²	72	56.4 Å²	56.4	74%	0.742	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	14.2	175.9	0	0	0	0	0	115.2	L541 T542	L541-G545 PolarHBondContact O-N 3.36Å; T542-G545 PolarHBondContact O-N 3.03Å
546	A	94.5	Very high	95.9	Very high	19 Å²	19	54.5 Å²	54.5	16%	0.157	30%	0.299	C	S	.	.			trans	-80.5	136.8	178	0	0	0	0	0	112.1	L541 R544 V548 L598	L541-A546 HydrophobicContact CB-CB 4.12Å; L541-A546 WeakPolarHBondContact O-CB 3.26Å; L541-A546 PolarHBondContact O-N 2.84Å; R544-A546 VanDerWaalsContact C-N 3.33Å; R544-A546 PolarHBondContact O-N 3.39Å; A546-V548 PolarHBondContact O-N 2.98Å; A546-L598 HydrophobicContact CB-CD1 3.64Å
547	D	94.9	Very high	95.9	Very high	96 Å²	96	54.1 Å²	54.1	51%	0.513	30%	0.295	S	S	.	.			trans	-73.7	88	173.1	-179.1	-3.4	0	0	0	111	L549 N550 L551	D547-L549 VanDerWaalsContact C-N 3.3Å; D547-L549 PolarHBondContact O-N 3.48Å; D547-L549 PolarHBondContact OD1-N 3.07Å; D547-L549 VanDerWaalsContact OD1-N 3.15Å; D547-N550 HydrophobicContact CB-CB 4.29Å; D547-N550 WeakPolarHBondContact OD1-CB 3.32Å; D547-N550 PolarHBondContact OD1-N 3.39Å; D547-N550 WeakPolarHBondContact OD2-CB 3.39Å; D547-L551 WeakPolarHBondContact O-CB 3.45Å; D547-L551 PolarHBondContact O-N 2.81Å
548	V	95.3	Very high	96	Very high	18 Å²	18	54.4 Å²	54.4	11%	0.109	30%	0.296	C	S	.	.	H	α-helix	trans	-66.7	-29	178	175.8	0	0	0	0	112.1	W538 L541 T542 A546 L551 W552	W538-V548 HydrophobicContact CB-CG1 3.91Å; W538-V548 HydrophobicContact CD2-CG1 3.63Å; W538-V548 HydrophobicContact CE3-CG1 3.79Å; W538-V548 HydrophobicContact CG-CG1 3.7Å; L541-V548 HydrophobicContact CB-CG2 3.82Å; T542-V548 WeakPolarHBondContact OG1-CG2 3.41Å; A546-V548 PolarHBondContact O-N 2.98Å; V548-L551 PolarHBondContact O-N 3.28Å; V548-W552 VanDerWaalsContact O-CB 3.26Å; V548-W552 WeakPolarHBondContact O-CB 3.4Å; V548-W552 PolarHBondContact O-N 3.23Å
549	L	93.6	Very high	96.1	Very high	128 Å²	128	52.6 Å²	52.6	67%	0.67	29%	0.289	S	S	*	.	H	α-helix	trans	-70.3	-45.7	-178.7	-64.5	177.1	0	0	0	111.2	D547 W552 S553	D547-L549 VanDerWaalsContact C-N 3.3Å; D547-L549 PolarHBondContact O-N 3.48Å; D547-L549 PolarHBondContact OD1-N 3.07Å; D547-L549 VanDerWaalsContact OD1-N 3.15Å; L549-W552 PolarHBondContact O-N 3.43Å; L549-S553 WeakPolarHBondContact O-CB 3.42Å; L549-S553 PolarHBondContact O-N 3.35Å
550	N	95.1	Very high	96.2	Very high	85 Å²	85	49.6 Å²	49.6	46%	0.455	27%	0.268	S	S	.	.	H	α-helix	trans	-67	-41.2	173.1	-177.1	3.1	0	0	0	111.6	D547 W552 S553 R554	D547-N550 HydrophobicContact CB-CB 4.29Å; D547-N550 WeakPolarHBondContact OD1-CB 3.32Å; D547-N550 PolarHBondContact OD1-N 3.39Å; D547-N550 WeakPolarHBondContact OD2-CB 3.39Å; N550-W552 VanDerWaalsContact C-N 3.32Å; N550-W552 PolarHBondContact O-N 2.83Å; N550-S553 PolarHBondContact O-N 3.5Å; N550-R554 WeakPolarHBondContact O-CB 3.48Å; N550-R554 WeakPolarHBondContact O-CD 3.33Å; N550-R554 VanDerWaalsContact O-CG 3.24Å; N550-R554 WeakPolarHBondContact O-CG 3.43Å; N550-R554 PolarHBondContact O-N 3.3Å; N550-R554 WeakPolarHBondContact OD1-CD 3.12Å
551	L	96.9	Very high	96.2	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-57.4	-44.8	173.3	177.8	57.7	0	0	0	111.9	W538 L541 D547 V548 R554 I555 L594 P600	W538-L551 HydrophobicContact CZ3-CD2 3.99Å; L541-L551 HydrophobicContact CD1-CD2 4.02Å; D547-L551 WeakPolarHBondContact O-CB 3.45Å; D547-L551 PolarHBondContact O-N 2.81Å; V548-L551 PolarHBondContact O-N 3.28Å; L551-R554 PolarHBondContact O-N 2.89Å; L551-I555 HydrophobicContact CD1-CD1 4.24Å; L551-I555 HydrophobicContact CG-CD1 4.19Å; L551-I555 WeakPolarHBondContact O-CG1 3.46Å; L551-I555 PolarHBondContact O-N 3.45Å; L551-L594 HydrophobicContact CD1-CD2 3.93Å; L551-L594 HydrophobicContact CD2-CD1 4.02Å; L551-L594 HydrophobicContact CD2-CD2 4.49Å; L551-P600 HydrophobicContact CD1-CB 4.36Å; L551-P600 HydrophobicContact CD1-CG 4.01Å
552	W	96.6	Very high	96.3	Very high	18 Å²	18	49.5 Å²	49.5	7%	0.068	27%	0.268	C	S	.	.	H	α-helix	trans	-65.3	-44.2	175.9	-174.6	-120	0	0	0	112	L470 V484 L534 W538 V548 L549 N550 R554 I555 V556	L470-W552 HydrophobicContact CD1-CZ3 4.32Å; L470-W552 HydrophobicContact CD2-CH2 4.32Å; L470-W552 HydrophobicContact CD2-CZ3 3.97Å; V484-W552 HydrophobicContact CG1-CH2 4.29Å; V484-W552 HydrophobicContact CG1-CZ2 3.75Å; V484-W552 HydrophobicContact CG2-CH2 3.77Å; V484-W552 HydrophobicContact CG2-CZ2 4.1Å; L534-W552 HydrophobicContact CD2-CH2 4.23Å; L534-W552 HydrophobicContact CD2-CZ3 4Å; W538-W552 HydrophobicContact CH2-CE3 4.42Å; W538-W552 AromaticContact CZ2-CE3 3.57Å; W538-W552 HydrophobicContact CZ2-CE3 3.57Å; W538-W552 AromaticContact CZ2-CZ3 3.89Å; W538-W552 HydrophobicContact CZ2-CZ3 3.89Å; V548-W552 VanDerWaalsContact O-CB 3.26Å; V548-W552 WeakPolarHBondContact O-CB 3.4Å; V548-W552 PolarHBondContact O-N 3.23Å; L549-W552 PolarHBondContact O-N 3.43Å; N550-W552 VanDerWaalsContact C-N 3.32Å; N550-W552 PolarHBondContact O-N 2.83Å; W552-R554 VanDerWaalsContact C-N 3.3Å; W552-R554 PolarHBondContact O-N 2.93Å; W552-I555 HydrophobicContact CE3-CB 4.32Å; W552-I555 HydrophobicContact CE3-CD1 4.42Å; W552-I555 HydrophobicContact CE3-CG2 4.04Å; W552-I555 HydrophobicContact CZ3-CG2 4.02Å; W552-I555 CarbonylContact O-C 3.26Å; W552-I555 WeakPolarHBondContact O-CA 3.31Å; W552-I555 WeakPolarHBondContact O-CB 3.3Å; W552-I555 PolarHBondContact O-N 2.64Å; W552-V556 HydrophobicContact CD2-CG2 4.38Å; W552-V556 HydrophobicContact CZ2-CG2 4.49Å; W552-V556 WeakPolarHBondContact O-CG2 3.34Å; W552-V556 PolarHBondContact O-N 3.33Å
553	S	95.2	Very high	96.4	Very high	50 Å²	50	45.4 Å²	45.4	35%	0.35	24%	0.243	S	C	.	.	H	α-helix	trans	-58.4	-40.6	175.1	-165.2	0	0	0	0	112.2	L549 N550 V556 D557 K898	L549-S553 WeakPolarHBondContact O-CB 3.42Å; L549-S553 PolarHBondContact O-N 3.35Å; N550-S553 PolarHBondContact O-N 3.5Å; S553-V556 PolarHBondContact O-N 3.48Å; S553-D557 PolarHBondContact O-N 3.43Å; S553-K898 PolarHBondContact OG-NZ 3.21Å
554	R	96.5	Very high	96.3	Very high	91 Å²	91	38.7 Å²	38.7	34%	0.343	21%	0.212	S	C	.	.	H	α-helix	trans	-64.5	-38.3	173	-68.7	161.1	76.5	-149.7	10.1	112.1	N550 L551 W552 I558 L598 P600	N550-R554 WeakPolarHBondContact O-CB 3.48Å; N550-R554 WeakPolarHBondContact O-CD 3.33Å; N550-R554 VanDerWaalsContact O-CG 3.24Å; N550-R554 WeakPolarHBondContact O-CG 3.43Å; N550-R554 PolarHBondContact O-N 3.3Å; N550-R554 WeakPolarHBondContact OD1-CD 3.12Å; L551-R554 PolarHBondContact O-N 2.89Å; W552-R554 VanDerWaalsContact C-N 3.3Å; W552-R554 PolarHBondContact O-N 2.93Å; R554-I558 VanDerWaalsContact O-CG1 3.26Å; R554-I558 WeakPolarHBondContact O-CG1 3.28Å; R554-I558 PolarHBondContact O-N 3.05Å; R554-L598 PolarHBondContact NH1-O 3.38Å; R554-P600 HydrophobicContact CB-CG 4.06Å
555	I	98	Very high	96.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66.5	-42.2	174.9	-74.4	168.2	0	0	0	111.4	L470 W538 L551 W552 I558 I559 P600	L470-I555 HydrophobicContact CD1-CG2 3.33Å; W538-I555 HydrophobicContact CH2-CD1 3.94Å; L551-I555 HydrophobicContact CD1-CD1 4.24Å; L551-I555 HydrophobicContact CG-CD1 4.19Å; L551-I555 WeakPolarHBondContact O-CG1 3.46Å; L551-I555 PolarHBondContact O-N 3.45Å; W552-I555 HydrophobicContact CE3-CB 4.32Å; W552-I555 HydrophobicContact CE3-CD1 4.42Å; W552-I555 HydrophobicContact CE3-CG2 4.04Å; W552-I555 HydrophobicContact CZ3-CG2 4.02Å; W552-I555 CarbonylContact O-C 3.26Å; W552-I555 WeakPolarHBondContact O-CA 3.31Å; W552-I555 WeakPolarHBondContact O-CB 3.3Å; W552-I555 PolarHBondContact O-N 2.64Å; I555-I558 WeakPolarHBondContact O-CB 3.37Å; I555-I558 PolarHBondContact O-N 3.03Å; I555-I559 HydrophobicContact CG2-CD1 4.11Å; I555-I559 WeakPolarHBondContact O-CG1 3.29Å; I555-I559 PolarHBondContact O-N 3.45Å; I555-P600 HydrophobicContact CD1-CB 4.4Å; I555-P600 HydrophobicContact CG1-CB 3.73Å; I555-P600 HydrophobicContact CG1-CG 3.99Å
556	V	97.3	Very high	96.3	Very high	11 Å²	11	29.8 Å²	29.8	7%	0.067	16%	0.158	C	C	.	.	H	α-helix	trans	-64.9	-40.4	176.9	173.8	0	0	0	0	111.3	V484 W552 S553 I559 F560 I891	V484-V556 HydrophobicContact CG1-CG2 4.4Å; W552-V556 HydrophobicContact CD2-CG2 4.38Å; W552-V556 HydrophobicContact CZ2-CG2 4.49Å; W552-V556 WeakPolarHBondContact O-CG2 3.34Å; W552-V556 PolarHBondContact O-N 3.33Å; S553-V556 PolarHBondContact O-N 3.48Å; V556-I559 PolarHBondContact O-N 3.25Å; V556-F560 WeakPolarHBondContact O-CB 3.24Å; V556-F560 PolarHBondContact O-N 3.12Å; V556-I891 HydrophobicContact CG1-CB 4.5Å; V556-I891 HydrophobicContact CG1-CG1 4.41Å; V556-I891 HydrophobicContact CG1-CG2 3.97Å
557	D	96.6	Very high	96.1	Very high	56 Å²	56	28.9 Å²	28.9	30%	0.299	15%	0.15	S	C	.	.	H	α-helix	trans	-60	-43.7	172	174.9	68.3	0	0	0	112.5	S553 I559 F560 K561	S553-D557 PolarHBondContact O-N 3.43Å; D557-I559 PolarHBondContact O-N 3.37Å; D557-F560 PolarHBondContact O-N 3.31Å; D557-K561 WeakPolarHBondContact O-CB 3.11Å; D557-K561 WeakPolarHBondContact O-CG 3.28Å; D557-K561 PolarHBondContact O-N 3.49Å; D557-K561 WeakPolarHBondContact OD1-CD 3.34Å; D557-K561 WeakPolarHBondContact OD1-CE 3.49Å; D557-K561 IonicContact OD1-NZ 3.89Å; D557-K561 PolarHBondContact OD1-NZ 2.86Å; D557-K561 WeakPolarHBondContact OD2-CE 3.47Å; D557-K561 IonicContact OD2-NZ 3.92Å; D557-K561 PolarHBondContact OD2-NZ 3.25Å
558	I	98.2	Very high	95.8	Very high	5 Å²	5	24.8 Å²	24.8	3%	0.026	13%	0.129	C	C	.	.	H	α-helix	trans	-57.3	-48	174	-72.8	169.8	0	0	0	111.1	F380 R554 I555 T562 I592 P600 L602	F380-I558 HydrophobicContact CB-CD1 3.63Å; F380-I558 HydrophobicContact CB-CG1 3.61Å; F380-I558 HydrophobicContact CD1-CG1 4.05Å; F380-I558 HydrophobicContact CD2-CB 4.23Å; F380-I558 HydrophobicContact CD2-CG1 3.88Å; F380-I558 HydrophobicContact CD2-CG2 3.71Å; F380-I558 HydrophobicContact CE2-CG2 4.03Å; F380-I558 HydrophobicContact CG-CB 4.42Å; F380-I558 HydrophobicContact CG-CD1 4.19Å; F380-I558 HydrophobicContact CG-CG1 3.6Å; F380-I558 HydrophobicContact CG-CG2 4.34Å; R554-I558 VanDerWaalsContact O-CG1 3.26Å; R554-I558 WeakPolarHBondContact O-CG1 3.28Å; R554-I558 PolarHBondContact O-N 3.05Å; I555-I558 WeakPolarHBondContact O-CB 3.37Å; I555-I558 PolarHBondContact O-N 3.03Å; I558-T562 VanDerWaalsContact O-CB 3.28Å; I558-T562 WeakPolarHBondContact O-CB 3.36Å; I558-T562 PolarHBondContact O-N 2.83Å; I558-T562 PolarHBondContact O-OG1 2.71Å; I558-I592 HydrophobicContact CG2-CD1 4.12Å; I558-P600 HydrophobicContact CD1-CB 3.8Å; I558-P600 HydrophobicContact CD1-CG 3.65Å; I558-P600 WeakPolarHBondContact CD1-O 3.34Å; I558-L602 HydrophobicContact CG2-CB 4.18Å
559	I	98.5	Very high	95.5	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62	-49.8	179.5	-63.6	161	0	0	0	109.8	L470 V472 V484 I555 V556 D557 K561 T562 L563 F590 I891	L470-I559 HydrophobicContact CD1-CD1 4.09Å; V472-I559 HydrophobicContact CB-CG2 4.41Å; V472-I559 HydrophobicContact CG1-CG2 3.74Å; V472-I559 HydrophobicContact CG2-CD1 3.89Å; V472-I559 HydrophobicContact CG2-CG1 4.26Å; V472-I559 HydrophobicContact CG2-CG2 3.81Å; V484-I559 HydrophobicContact CB-CD1 4.49Å; V484-I559 HydrophobicContact CG2-CD1 4.07Å; I555-I559 HydrophobicContact CG2-CD1 4.11Å; I555-I559 WeakPolarHBondContact O-CG1 3.29Å; I555-I559 PolarHBondContact O-N 3.45Å; V556-I559 PolarHBondContact O-N 3.25Å; D557-I559 PolarHBondContact O-N 3.37Å; I559-K561 PolarHBondContact O-N 2.9Å; I559-T562 PolarHBondContact O-N 3.27Å; I559-L563 HydrophobicContact CG2-CD1 4.07Å; I559-L563 HydrophobicContact CG2-CG 4.43Å; I559-L563 WeakPolarHBondContact O-CG 3.14Å; I559-L563 PolarHBondContact O-N 2.94Å; I559-F590 HydrophobicContact CB-CE1 4.29Å; I559-F590 HydrophobicContact CG1-CD1 3.93Å; I559-F590 HydrophobicContact CG1-CE1 4.14Å; I559-F590 HydrophobicContact CG1-CG 4.33Å; I559-F590 HydrophobicContact CG2-CE1 4.1Å; I559-F590 HydrophobicContact CG2-CE2 4.26Å; I559-F590 HydrophobicContact CG2-CZ 3.93Å; I559-I891 HydrophobicContact CB-CD1 4.49Å; I559-I891 HydrophobicContact CG2-CD1 3.65Å
560	F	98	Very high	95.4	Very high	2 Å²	2	20 Å²	20	1%	0.009	11%	0.106	C	C	.	.	H	α-helix	trans	-58.4	-50.5	-179.8	173.5	-105.3	0	0	0	112.8	L480 V556 D557 T562 L563 S564 I891 F892 M902 F905 L906	L480-F560 HydrophobicContact CD2-CD2 4.39Å; L480-F560 HydrophobicContact CD2-CE2 3.9Å; V556-F560 WeakPolarHBondContact O-CB 3.24Å; V556-F560 PolarHBondContact O-N 3.12Å; D557-F560 PolarHBondContact O-N 3.31Å; F560-T562 PolarHBondContact O-N 2.99Å; F560-L563 PolarHBondContact O-N 3.25Å; F560-S564 WeakPolarHBondContact CZ-OG 3.48Å; F560-S564 WeakPolarHBondContact O-CB 3.47Å; F560-S564 PolarHBondContact O-N 3.39Å; F560-S564 PolarHBondContact O-OG 3.39Å; F560-I891 HydrophobicContact CB-CG2 3.85Å; F560-I891 HydrophobicContact CD2-CG2 4.4Å; F560-F892 HydrophobicContact CD2-CB 3.93Å; F560-F892 HydrophobicContact CD2-CD2 4.34Å; F560-F892 HydrophobicContact CD2-CG 4.23Å; F560-F892 HydrophobicContact CE2-CB 3.96Å; F560-F892 HydrophobicContact CE2-CD1 4.42Å; F560-F892 AromaticContact CE2-CD2 3.65Å; F560-F892 HydrophobicContact CE2-CD2 3.65Å; F560-F892 HydrophobicContact CE2-CE2 4.29Å; F560-F892 AromaticContact CE2-CG 3.73Å; F560-F892 HydrophobicContact CE2-CG 3.73Å; F560-F892 HydrophobicContact CZ-CD2 4.24Å; F560-M902 HydrophobicContact CB-CE 3.75Å; F560-M902 HydrophobicContact CD1-CB 4.35Å; F560-M902 HydrophobicContact CD1-CE 3.74Å; F560-M902 HydrophobicContact CD1-CG 4.1Å; F560-M902 HydrophobicContact CD2-CE 3.46Å; F560-M902 VanDerWaalsContact CD2-CE 3.46Å; F560-M902 HydrophobicContact CE1-CB 3.71Å; F560-M902 HydrophobicContact CE1-CE 4.24Å; F560-M902 HydrophobicContact CE1-CG 3.94Å; F560-M902 HydrophobicContact CE2-CB 4.25Å; F560-M902 HydrophobicContact CE2-CE 3.99Å; F560-M902 HydrophobicContact CG-CE 3.33Å; F560-M902 HydrophobicContact CZ-CB 3.67Å; F560-M902 HydrophobicContact CZ-CE 4.36Å; F560-M902 HydrophobicContact CZ-CG 4.31Å; F560-M902 VanDerWaalsContact CZ-O 3.26Å; F560-M902 WeakPolarHBondContact CZ-O 3.32Å; F560-F905 HydrophobicContact CD1-CD1 4.49Å; F560-F905 HydrophobicContact CE1-CB 4.26Å; F560-F905 AromaticContact CE1-CD1 3.79Å; F560-F905 HydrophobicContact CE1-CD1 3.79Å; F560-F905 HydrophobicContact CE1-CG 4.34Å; F560-L906 HydrophobicContact CZ-CB 4.3Å; F560-L906 HydrophobicContact CZ-CD1 4.48Å
561	K	97.5	Very high	95.2	Very high	28 Å²	28	16 Å²	16	12%	0.122	9%	0.085	C	C	.	.	H	α-helix	trans	-63.2	-32.8	178.8	-70.7	177	172.9	155.2	0	112.1	L369 S377 I378 F380 D557 I559 S565 F905	L369-K561 WeakPolarHBondContact CD2-O 3.49Å; S377-K561 PolarHBondContact O-NZ 3.49Å; I378-K561 HydrophobicContact CD1-CB 4.34Å; I378-K561 HydrophobicContact CD1-CD 4.2Å; F380-K561 HydrophobicContact CE1-CB 4.04Å; F380-K561 HydrophobicContact CE1-CD 3.83Å; F380-K561 HydrophobicContact CZ-CB 3.8Å; F380-K561 HydrophobicContact CZ-CD 4.45Å; D557-K561 WeakPolarHBondContact O-CB 3.11Å; D557-K561 WeakPolarHBondContact O-CG 3.28Å; D557-K561 PolarHBondContact O-N 3.49Å; D557-K561 WeakPolarHBondContact OD1-CD 3.34Å; D557-K561 WeakPolarHBondContact OD1-CE 3.49Å; D557-K561 IonicContact OD1-NZ 3.89Å; D557-K561 PolarHBondContact OD1-NZ 2.86Å; D557-K561 WeakPolarHBondContact OD2-CE 3.47Å; D557-K561 IonicContact OD2-NZ 3.92Å; D557-K561 PolarHBondContact OD2-NZ 3.25Å; I559-K561 PolarHBondContact O-N 2.9Å; K561-S565 PolarHBondContact O-N 3.44Å; K561-S565 VanDerWaalsContact O-N 3.17Å; K561-F905 HydrophobicContact CB-CE1 4.04Å; K561-F905 HydrophobicContact CB-CZ 4.07Å; K561-F905 HydrophobicContact CD-CE2 4.35Å; K561-F905 HydrophobicContact CD-CZ 4.18Å; K561-F905 HydrophobicContact CG-CD1 4.27Å; K561-F905 HydrophobicContact CG-CE1 3.71Å; K561-F905 HydrophobicContact CG-CE2 4.2Å; K561-F905 HydrophobicContact CG-CZ 3.67Å
562	T	97.9	Very high	94.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-71.1	-43.6	176.5	-53.6	0	0	0	0	111.8	L356 L362 L366 I558 I559 F560 S564 S565 F590 L602 V605	L356-T562 HydrophobicContact CD1-CG2 3.68Å; L362-T562 HydrophobicContact CD1-CG2 3.7Å; L366-T562 HydrophobicContact CD1-CG2 4.38Å; L366-T562 HydrophobicContact CD2-CG2 4.36Å; I558-T562 VanDerWaalsContact O-CB 3.28Å; I558-T562 WeakPolarHBondContact O-CB 3.36Å; I558-T562 PolarHBondContact O-N 2.83Å; I558-T562 PolarHBondContact O-OG1 2.71Å; I559-T562 PolarHBondContact O-N 3.27Å; F560-T562 PolarHBondContact O-N 2.99Å; T562-S564 VanDerWaalsContact C-N 3.35Å; T562-S565 WeakPolarHBondContact O-CB 3.45Å; T562-S565 PolarHBondContact O-N 2.86Å; T562-S565 PolarHBondContact O-OG 3.38Å; T562-F590 HydrophobicContact CG2-CE1 4.05Å; T562-F590 HydrophobicContact CG2-CZ 4.47Å; T562-L602 HydrophobicContact CG2-CD2 3.7Å; T562-V605 HydrophobicContact CG2-CG2 4.26Å
563	L	97.6	Very high	94.4	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-63.1	-41	173.1	-68	176	0	0	0	111.9	L356 V472 V474 F477 A482 I559 F560 S565 V566 V567 F590	L356-L563 HydrophobicContact CD2-CD2 3.93Å; V472-L563 HydrophobicContact CG1-CD1 4.23Å; V474-L563 HydrophobicContact CG2-CD1 3.93Å; V474-L563 HydrophobicContact CG2-CD2 3.91Å; F477-L563 HydrophobicContact CE1-CB 4.49Å; F477-L563 HydrophobicContact CE1-CD2 4.43Å; F477-L563 HydrophobicContact CZ-CD2 4.16Å; A482-L563 HydrophobicContact CB-CD1 3.63Å; I559-L563 HydrophobicContact CG2-CD1 4.07Å; I559-L563 HydrophobicContact CG2-CG 4.43Å; I559-L563 WeakPolarHBondContact O-CG 3.14Å; I559-L563 PolarHBondContact O-N 2.94Å; F560-L563 PolarHBondContact O-N 3.25Å; L563-S565 PolarHBondContact O-N 2.99Å; L563-V566 WeakPolarHBondContact O-CG2 3.42Å; L563-V566 PolarHBondContact O-N 2.77Å; L563-V566 VanDerWaalsContact O-N 3.16Å; L563-V567 PolarHBondContact O-N 2.71Å; L563-F590 HydrophobicContact CD2-CZ 4.27Å; L563-F590 HydrophobicContact CG-CZ 4.4Å
564	S	94.6	Very high	94.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-58	-34.2	175.8	-60.8	0	0	0	0	112.3	F560 T562 V566 V567	F560-S564 WeakPolarHBondContact CZ-OG 3.48Å; F560-S564 WeakPolarHBondContact O-CB 3.47Å; F560-S564 PolarHBondContact O-N 3.39Å; F560-S564 PolarHBondContact O-OG 3.39Å; T562-S564 VanDerWaalsContact C-N 3.35Å; S564-V566 PolarHBondContact O-N 2.77Å; S564-V567 WeakPolarHBondContact O-CG1 3.41Å; S564-V567 PolarHBondContact O-N 2.98Å
565	S	94.4	Very high	93.5	Very high	11 Å²	11	13.6 Å²	13.6	8%	0.077	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-18.8	178.8	81.4	0	0	0	0	114.8	K561 T562 L563	K561-S565 PolarHBondContact O-N 3.44Å; K561-S565 VanDerWaalsContact O-N 3.17Å; T562-S565 WeakPolarHBondContact O-CB 3.45Å; T562-S565 PolarHBondContact O-N 2.86Å; T562-S565 PolarHBondContact O-OG 3.38Å; L563-S565 PolarHBondContact O-N 2.99Å
566	V	94.1	Very high	93	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.018	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-3.5	-178.2	-66.5	0	0	0	0	114.4	Q355 L356 N365 F477 L563 S564 S568 C569 I570	Q355-V566 HydrophobicContact CB-CG1 3.96Å; L356-V566 HydrophobicContact CB-CG1 4.46Å; L356-V566 HydrophobicContact CB-CG2 4.47Å; L356-V566 HydrophobicContact CD1-CG2 4.38Å; N365-V566 HydrophobicContact CB-CG1 4.34Å; F477-V566 HydrophobicContact CE1-CG2 4.04Å; F477-V566 HydrophobicContact CZ-CG2 4.29Å; L563-V566 WeakPolarHBondContact O-CG2 3.42Å; L563-V566 PolarHBondContact O-N 2.77Å; L563-V566 VanDerWaalsContact O-N 3.16Å; S564-V566 PolarHBondContact O-N 2.77Å; V566-S568 PolarHBondContact O-N 3.4Å; V566-C569 PolarHBondContact O-N 2.82Å; V566-I570 HydrophobicContact CB-CD1 3.97Å; V566-I570 HydrophobicContact CB-CG1 4.26Å; V566-I570 HydrophobicContact CG2-CD1 3.66Å; V566-I570 HydrophobicContact CG2-CG1 4.42Å; V566-I570 PolarHBondContact O-N 2.99Å
567	V	91.7	Very high	92.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-51.3	-52.5	-169	68.3	0	0	0	0	113.3	F477 L563 S564 C569 I570 A571 L906 Y910	F477-V567 HydrophobicContact CD1-CB 4.38Å; F477-V567 HydrophobicContact CD1-CG2 4.23Å; L563-V567 PolarHBondContact O-N 2.71Å; S564-V567 WeakPolarHBondContact O-CG1 3.41Å; S564-V567 PolarHBondContact O-N 2.98Å; V567-C569 VanDerWaalsContact C-N 3.31Å; V567-C569 PolarHBondContact O-N 2.57Å; V567-I570 PolarHBondContact O-N 2.67Å; V567-A571 WeakPolarHBondContact O-CB 3.48Å; V567-A571 PolarHBondContact O-N 3.2Å; V567-L906 HydrophobicContact CB-CD1 4.27Å; V567-L906 HydrophobicContact CG1-CD1 4Å; V567-L906 HydrophobicContact CG2-CD1 4.23Å; V567-Y910 HydrophobicContact CG1-CD1 4.05Å; V567-Y910 HydrophobicContact CG1-CE1 3.94Å; V567-Y910 HydrophobicContact CG1-CE2 4.49Å; V567-Y910 HydrophobicContact CG1-CG 4.35Å; V567-Y910 HydrophobicContact CG2-CE1 3.89Å; V567-Y910 WeakPolarHBondContact CG2-OH 3.44Å
568	S	87.9	Confident	92.2	Very high	10 Å²	10	17.1 Å²	17.1	7%	0.07	9%	0.092	C	C	.	.	H	α-helix	trans	-60	-40.6	-180	-56.7	0	0	0	0	112.6	V566 T572 Y910 Q911	V566-S568 PolarHBondContact O-N 3.4Å; S568-T572 WeakPolarHBondContact O-CB 3.5Å; S568-T572 PolarHBondContact O-N 2.99Å; S568-T572 PolarHBondContact O-OG1 2.8Å; S568-Y910 VanDerWaalsContact OG-CA 3.27Å; S568-Y910 WeakPolarHBondContact OG-CA 3.5Å; S568-Y910 WeakPolarHBondContact OG-CD1 3.35Å; S568-Q911 PolarHBondContact OG-N 2.77Å
569	C	89.4	Confident	91.5	Very high	44 Å²	44	22.4 Å²	22.4	30%	0.297	11%	0.112	S	C	.	.	H	α-helix	trans	-72.5	-44.6	-173.9	-174.8	0	0	0	0	110.7	Q355 V566 V567 M573	Q355-C569 PolarHBondContact NE2-SG 2.68Å; V566-C569 PolarHBondContact O-N 2.82Å; V567-C569 VanDerWaalsContact C-N 3.31Å; V567-C569 PolarHBondContact O-N 2.57Å; C569-M573 WeakPolarHBondContact O-CB 3.42Å; C569-M573 VanDerWaalsContact O-CG 3.29Å; C569-M573 WeakPolarHBondContact O-CG 3.11Å; C569-M573 PolarHBondContact O-N 3.1Å
570	I	92	Very high	90.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-72.7	-44	178.8	-59.9	178.6	0	0	0	110.4	F350 F477 V566 V567 T572 M573 V574	F350-I570 HydrophobicContact CB-CG2 3.67Å; F350-I570 HydrophobicContact CD1-CG2 4.3Å; F350-I570 HydrophobicContact CG-CG2 4.01Å; F477-I570 HydrophobicContact CB-CB 4.46Å; F477-I570 HydrophobicContact CB-CG2 4.31Å; F477-I570 HydrophobicContact CD2-CB 4Å; F477-I570 HydrophobicContact CD2-CD1 4.35Å; F477-I570 HydrophobicContact CD2-CG2 3.44Å; F477-I570 VanDerWaalsContact CD2-CG2 3.44Å; F477-I570 HydrophobicContact CE1-CD1 4.3Å; F477-I570 HydrophobicContact CE2-CB 4.32Å; F477-I570 HydrophobicContact CE2-CD1 3.78Å; F477-I570 HydrophobicContact CE2-CG2 3.86Å; F477-I570 HydrophobicContact CG-CB 4.1Å; F477-I570 HydrophobicContact CG-CG2 3.97Å; F477-I570 HydrophobicContact CZ-CD1 3.75Å; V566-I570 HydrophobicContact CB-CD1 3.97Å; V566-I570 HydrophobicContact CB-CG1 4.26Å; V566-I570 HydrophobicContact CG2-CD1 3.66Å; V566-I570 HydrophobicContact CG2-CG1 4.42Å; V566-I570 PolarHBondContact O-N 2.99Å; V567-I570 PolarHBondContact O-N 2.67Å; I570-T572 PolarHBondContact O-N 2.66Å; I570-M573 CarbonylContact O-C 3.42Å; I570-M573 PolarHBondContact O-N 3.36Å; I570-M573 VanDerWaalsContact O-N 3.1Å; I570-V574 HydrophobicContact CG2-CG2 4.17Å; I570-V574 VanDerWaalsContact O-CG2 3.31Å; I570-V574 WeakPolarHBondContact O-CG2 3.48Å; I570-V574 PolarHBondContact O-N 3.21Å
571	A	89.5	Confident	90.1	Very high	2 Å²	2	26.9 Å²	26.9	2%	0.017	13%	0.129	C	C	.	.	H	α-helix	trans	-57	-47.1	175.8	0	0	0	0	0	112.3	F477 V567 M573 V574 D575 F926	F477-A571 HydrophobicContact CB-CB 4.39Å; V567-A571 WeakPolarHBondContact O-CB 3.48Å; V567-A571 PolarHBondContact O-N 3.2Å; A571-M573 VanDerWaalsContact C-N 3.33Å; A571-M573 PolarHBondContact O-N 3.16Å; A571-V574 PolarHBondContact O-N 3.41Å; A571-D575 PolarHBondContact O-N 3.06Å; A571-D575 VanDerWaalsContact O-N 3.09Å; A571-F926 HydrophobicContact CB-CD1 3.85Å; A571-F926 HydrophobicContact CB-CE1 3.89Å; A571-F926 HydrophobicContact CB-CG 4.36Å; A571-F926 HydrophobicContact CB-CZ 4.45Å
572	T	87.3	Confident	89.6	Confident	25 Å²	25	27.4 Å²	27.4	15%	0.153	14%	0.138	C	C	.	.	H	α-helix	trans	-60.6	-40.5	175	-60	0	0	0	0	111.9	S568 I570 Q576	S568-T572 WeakPolarHBondContact O-CB 3.5Å; S568-T572 PolarHBondContact O-N 2.99Å; S568-T572 PolarHBondContact O-OG1 2.8Å; I570-T572 PolarHBondContact O-N 2.66Å; T572-Q576 VanDerWaalsContact CG2-NE2 3.33Å; T572-Q576 WeakPolarHBondContact O-CB 3.37Å; T572-Q576 WeakPolarHBondContact O-CG 3.38Å; T572-Q576 PolarHBondContact O-N 3.03Å
573	M	89.9	Confident	89.3	Confident	44 Å²	44	27.6 Å²	27.6	22%	0.217	14%	0.139	C	C	.	.	H	α-helix	trans	-74.1	-27.9	179	-75.8	-175	64.6	0	0	113.6	P335 P351 C569 I570 A571 N577	P335-M573 HydrophobicContact CG-CE 3.9Å; P351-M573 HydrophobicContact CB-CB 4.34Å; P351-M573 HydrophobicContact CB-CE 4.48Å; P351-M573 HydrophobicContact CG-CB 4.46Å; P351-M573 WeakPolarHBondContact CG-O 3.48Å; P351-M573 WeakPolarHBondContact O-CB 3.22Å; C569-M573 WeakPolarHBondContact O-CB 3.42Å; C569-M573 VanDerWaalsContact O-CG 3.29Å; C569-M573 WeakPolarHBondContact O-CG 3.11Å; C569-M573 PolarHBondContact O-N 3.1Å; I570-M573 CarbonylContact O-C 3.42Å; I570-M573 PolarHBondContact O-N 3.36Å; I570-M573 VanDerWaalsContact O-N 3.1Å; A571-M573 VanDerWaalsContact C-N 3.33Å; A571-M573 PolarHBondContact O-N 3.16Å; M573-N577 WeakPolarHBondContact O-CB 3.45Å; M573-N577 PolarHBondContact O-N 2.77Å; M573-N577 PolarHBondContact O-ND2 2.98Å
574	V	89.6	Confident	89.2	Confident	8 Å²	8	27.7 Å²	27.7	5%	0.048	14%	0.14	C	C	.	.	H	α-helix	trans	-64.6	-56.5	171.3	169.3	0	0	0	0	109.5	F350 P351 I570 A571 Q576 N577 C578 R581 V584	F350-V574 HydrophobicContact CD1-CG2 3.88Å; P351-V574 HydrophobicContact CG-CB 4.36Å; P351-V574 HydrophobicContact CG-CG2 3.84Å; I570-V574 HydrophobicContact CG2-CG2 4.17Å; I570-V574 VanDerWaalsContact O-CG2 3.31Å; I570-V574 WeakPolarHBondContact O-CG2 3.48Å; I570-V574 PolarHBondContact O-N 3.21Å; A571-V574 PolarHBondContact O-N 3.41Å; V574-Q576 PolarHBondContact O-N 2.63Å; V574-N577 PolarHBondContact O-N 2.79Å; V574-C578 HydrophobicContact CG1-CB 4.1Å; V574-C578 WeakPolarHBondContact O-CB 3.47Å; V574-C578 PolarHBondContact O-N 2.49Å; V574-R581 HydrophobicContact CG1-CB 4.25Å; V574-R581 HydrophobicContact CG1-CG 4Å; V574-V584 HydrophobicContact CG1-CG2 4.28Å; V574-V584 HydrophobicContact CG2-CG2 4.19Å
575	D	83.8	Confident	89.3	Confident	36 Å²	36	28 Å²	28	19%	0.193	14%	0.141	C	C	.	.	H	α-helix	trans	-64.7	-26.9	-176.5	-73.6	5.4	0	0	0	113.1	A571 N577 R581 P795 F926	A571-D575 PolarHBondContact O-N 3.06Å; A571-D575 VanDerWaalsContact O-N 3.09Å; D575-N577 VanDerWaalsContact C-N 3.34Å; D575-R581 WeakPolarHBondContact OD1-CG 3.31Å; D575-R581 IonicContact OD1-CZ 3.71Å; D575-R581 IonicContact OD1-NE 2.74Å; D575-R581 PolarHBondContact OD1-NE 2.97Å; D575-R581 IonicContact OD1-NH2 2.71Å; D575-R581 IonicContact OD2-CZ 3.85Å; D575-R581 IonicContact OD2-NE 3.65Å; D575-R581 PolarHBondContact OD2-NE 3.25Å; D575-R581 IonicContact OD2-NH2 2.71Å; D575-R581 PolarHBondContact OD2-NH2 3.33Å; D575-P795 HydrophobicContact CB-CB 4.21Å; D575-P795 HydrophobicContact CB-CG 4.44Å; D575-P795 WeakPolarHBondContact O-CG 3.42Å; D575-F926 WeakPolarHBondContact OD2-CE1 3.37Å
576	Q	87	Confident	89.4	Confident	120 Å²	120	27.5 Å²	27.5	56%	0.561	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-10.8	174.4	-74.2	177.1	8.6	0	0	115	R339 T572 V574	R339-Q576 PolarHBondContact NH2-O 3.48Å; T572-Q576 VanDerWaalsContact CG2-NE2 3.33Å; T572-Q576 WeakPolarHBondContact O-CB 3.37Å; T572-Q576 WeakPolarHBondContact O-CG 3.38Å; T572-Q576 PolarHBondContact O-N 3.03Å; V574-Q576 PolarHBondContact O-N 2.63Å
577	N	89.4	Confident	89.6	Confident	12 Å²	12	27.6 Å²	27.6	6%	0.064	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143	-20.3	-168.2	-62.8	-71.8	0	0	0	116.8	P335 F338 R339 M573 V574 D575	P335-N577 WeakPolarHBondContact O-CB 3.44Å; P335-N577 PolarHBondContact O-OD1 3.39Å; F338-N577 CarbonylContact C-O 3.56Å; F338-N577 HydrophobicContact CB-CB 4.3Å; F338-N577 WeakPolarHBondContact CB-O 3.39Å; R339-N577 VanDerWaalsContact CA-O 3.31Å; R339-N577 WeakPolarHBondContact CA-O 3.47Å; R339-N577 HydrophobicContact CG-CB 4.43Å; R339-N577 VanDerWaalsContact CG-O 3.25Å; R339-N577 WeakPolarHBondContact CG-O 3.42Å; R339-N577 PolarHBondContact N-O 3.1Å; R339-N577 VanDerWaalsContact N-O 3.11Å; R339-N577 PolarHBondContact NE-OD1 3.49Å; R339-N577 PolarHBondContact NH2-OD1 2.94Å; M573-N577 WeakPolarHBondContact O-CB 3.45Å; M573-N577 PolarHBondContact O-N 2.77Å; M573-N577 PolarHBondContact O-ND2 2.98Å; V574-N577 PolarHBondContact O-N 2.79Å; D575-N577 VanDerWaalsContact C-N 3.34Å
578	C	87.5	Confident	89.9	Confident	8 Å²	8	27.6 Å²	27.6	5%	0.054	14%	0.138	C	C	.	.			trans	-102.8	143.1	179.9	-62.8	0	0	0	0	110.5	V574 P795	V574-C578 HydrophobicContact CG1-CB 4.1Å; V574-C578 WeakPolarHBondContact O-CB 3.47Å; V574-C578 PolarHBondContact O-N 2.49Å; C578-P795 WeakPolarHBondContact O-CD 3.34Å; C578-P795 WeakPolarHBondContact O-CG 3.38Å
579	R	83.6	Confident	90.4	Very high	117 Å²	117	27.1 Å²	27.1	44%	0.442	14%	0.135	S	C	.	.	S	Bend	trans	-75.8	-29.7	176.8	-65.3	-166.9	-170.7	-164.6	3.8	114.1	R339 I341 E343 T793 D794 P795	R339-R579 PolarHBondContact O-NE 3.37Å; I341-R579 VanDerWaalsContact O-CD 3.25Å; I341-R579 WeakPolarHBondContact O-CD 3.2Å; I341-R579 WeakPolarHBondContact O-CG 3.02Å; E343-R579 HydrophobicContact CG-CB 4.47Å; R579-T793 CarbonylContact O-C 3.57Å; R579-D794 WeakPolarHBondContact O-CA 3.23Å; R579-P795 VanDerWaalsContact O-CD 3.26Å; R579-P795 WeakPolarHBondContact O-CD 3.32Å
580	R	81.9	Confident	90.8	Very high	58 Å²	58	25 Å²	25	22%	0.219	12%	0.12	C	C	.	.	S	Bend	trans	-136.5	145.5	164.8	-85.2	-155.5	-94.9	126.4	-19	109	E343 A582 S583	E343-R580 HydrophobicContact CG-CG 4.25Å; E343-R580 PolarHBondContact O-NH1 3.42Å; E343-R580 IonicContact OE2-CZ 3.46Å; E343-R580 IonicContact OE2-NE 2.69Å; E343-R580 PolarHBondContact OE2-NE 3.28Å; E343-R580 IonicContact OE2-NH2 2.83Å; E343-R580 PolarHBondContact OE2-NH2 2.94Å; R580-A582 PolarHBondContact O-N 2.82Å; R580-S583 WeakPolarHBondContact O-CB 3.11Å; R580-S583 PolarHBondContact O-N 3.2Å; R580-S583 VanDerWaalsContact O-N 3.14Å; R580-S583 PolarHBondContact O-OG 2.94Å
581	R	86.3	Confident	91.1	Very high	38 Å²	38	25.2 Å²	25.2	14%	0.143	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-57.7	-37.9	175.2	-62.3	-174.6	179.1	158	3.8	112	S478 V574 D575 S583 V584 W798	S478-R581 WeakPolarHBondContact O-CD 3.14Å; S478-R581 PolarHBondContact O-NH1 3.15Å; S478-R581 PolarHBondContact OG-NH1 3.27Å; V574-R581 HydrophobicContact CG1-CB 4.25Å; V574-R581 HydrophobicContact CG1-CG 4Å; D575-R581 WeakPolarHBondContact OD1-CG 3.31Å; D575-R581 IonicContact OD1-CZ 3.71Å; D575-R581 IonicContact OD1-NE 2.74Å; D575-R581 PolarHBondContact OD1-NE 2.97Å; D575-R581 IonicContact OD1-NH2 2.71Å; D575-R581 IonicContact OD2-CZ 3.85Å; D575-R581 IonicContact OD2-NE 3.65Å; D575-R581 PolarHBondContact OD2-NE 3.25Å; D575-R581 IonicContact OD2-NH2 2.71Å; D575-R581 PolarHBondContact OD2-NH2 3.33Å; R581-S583 PolarHBondContact O-N 3.06Å; R581-V584 WeakPolarHBondContact O-CG2 3.35Å; R581-V584 PolarHBondContact O-N 3.06Å; R581-W798 HydrophobicContact CB-CH2 4.45Å; R581-W798 HydrophobicContact CG-CH2 4.04Å; R581-W798 HydrophobicContact CG-CZ3 4.41Å
582	A	86.2	Confident	91.5	Very high	39 Å²	39	25.1 Å²	25.1	32%	0.322	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-75.2	1.2	179.4	0	0	0	0	0	115.6	K346 R580 V584	K346-A582 PolarHBondContact NZ-O 3.26Å; R580-A582 PolarHBondContact O-N 2.82Å; A582-V584 VanDerWaalsContact C-N 3.29Å
583	S	91.1	Very high	92	Very high	4 Å²	4	24.1 Å²	24.1	3%	0.028	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-82.4	-4.5	173	-57	0	0	0	0	113.1	E343 Q345 K346 I347 R580 R581	E343-S583 PolarHBondContact O-OG 3.06Å; Q345-S583 WeakPolarHBondContact O-CA 3.43Å; Q345-S583 VanDerWaalsContact O-CB 3.25Å; Q345-S583 WeakPolarHBondContact O-CB 3.34Å; Q345-S583 PolarHBondContact O-OG 2.87Å; K346-S583 WeakPolarHBondContact CA-O 3.32Å; I347-S583 PolarHBondContact N-O 3.11Å; R580-S583 WeakPolarHBondContact O-CB 3.11Å; R580-S583 PolarHBondContact O-N 3.2Å; R580-S583 VanDerWaalsContact O-N 3.14Å; R580-S583 PolarHBondContact O-OG 2.94Å; R581-S583 PolarHBondContact O-N 3.06Å
584	V	95.2	Very high	92.4	Very high	3 Å²	3	22 Å²	22	2%	0.018	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-131.4	138.1	178.4	-75.1	0	0	0	0	111	F338 I347 H349 F350 V574 R581 A582	F338-V584 HydrophobicContact CD1-CG1 3.74Å; F338-V584 HydrophobicContact CE1-CG1 3.73Å; I347-V584 HydrophobicContact CB-CG1 4.42Å; I347-V584 WeakPolarHBondContact O-CA 3.45Å; H349-V584 VanDerWaalsContact O-CG1 3.32Å; H349-V584 WeakPolarHBondContact O-CG1 3.08Å; F350-V584 HydrophobicContact CD1-CB 3.86Å; F350-V584 HydrophobicContact CD1-CG2 3.52Å; F350-V584 HydrophobicContact CE1-CB 4.14Å; F350-V584 HydrophobicContact CE1-CG2 3.78Å; F350-V584 WeakPolarHBondContact CE1-O 3.49Å; V574-V584 HydrophobicContact CG1-CG2 4.28Å; V574-V584 HydrophobicContact CG2-CG2 4.19Å; R581-V584 WeakPolarHBondContact O-CG2 3.35Å; R581-V584 PolarHBondContact O-N 3.06Å; A582-V584 VanDerWaalsContact C-N 3.29Å
585	Y	96.6	Very high	92.7	Very high	6 Å²	6	22.4 Å²	22.4	2%	0.024	11%	0.106	C	C	.	.			trans	-145.7	165	176.6	66.7	-91.1	0	0	0	108.1	K346 I347 N348 H349 F473 M629 C633 F635	K346-Y585 HydrophobicContact CB-CD1 4.13Å; K346-Y585 HydrophobicContact CB-CE1 3.87Å; I347-Y585 VanDerWaalsContact O-CD1 3.32Å; I347-Y585 WeakPolarHBondContact O-CD1 3.32Å; I347-Y585 PolarHBondContact O-N 3.47Å; N348-Y585 CarbonylContact C-O 3.51Å; N348-Y585 WeakPolarHBondContact CA-O 3.34Å; N348-Y585 HydrophobicContact CB-CE2 3.8Å; H349-Y585 PolarHBondContact N-O 3.03Å; F473-Y585 AromaticContact CE2-CD2 3.76Å; F473-Y585 HydrophobicContact CE2-CD2 3.76Å; F473-Y585 HydrophobicContact CE2-CG 4.19Å; Y585-M629 HydrophobicContact CE2-SD 4.33Å; Y585-C633 WeakPolarHBondContact CD2-SG 3.35Å; Y585-C633 VanDerWaalsContact CE2-SG 3.59Å; Y585-C633 VanDerWaalsContact CG-SG 3.56Å; Y585-F635 AromaticContact CE1-CZ 3.99Å; Y585-F635 HydrophobicContact CE1-CZ 3.99Å
586	E	97.7	Very high	93.2	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	149.7	176.3	-163.4	154.7	-178.8	0	0	113.5	H349 F350 S353 F473 V474 F588	H349-E586 WeakPolarHBondContact CA-OE2 3.39Å; H349-E586 IonicContact CE1-OE1 3.16Å; H349-E586 IonicContact CG-OE1 2.75Å; H349-E586 IonicContact ND1-OE1 2.76Å; H349-E586 PolarHBondContact ND1-OE1 2.87Å; F350-E586 HydrophobicContact CD2-CB 3.6Å; F350-E586 WeakPolarHBondContact CD2-OE2 3.38Å; F350-E586 HydrophobicContact CE2-CB 3.64Å; F350-E586 PolarHBondContact N-OE2 3.1Å; S353-E586 VanDerWaalsContact CB-OE1 3.23Å; S353-E586 WeakPolarHBondContact CB-OE1 3.36Å; S353-E586 WeakPolarHBondContact CB-OE2 3.33Å; S353-E586 VanDerWaalsContact OG-CD 3.32Å; S353-E586 PolarHBondContact OG-OE1 2.97Å; S353-E586 PolarHBondContact OG-OE2 3.33Å; F473-E586 WeakPolarHBondContact CA-O 3.46Å; V474-E586 PolarHBondContact N-O 3.39Å; V474-E586 PolarHBondContact O-N 3.03Å; E586-F588 HydrophobicContact CB-CE1 4.46Å; E586-F588 HydrophobicContact CB-CE2 3.84Å; E586-F588 HydrophobicContact CB-CZ 3.79Å; E586-F588 VanDerWaalsContact CD-CE1 3.41Å; E586-F588 HydrophobicContact CG-CD1 4.27Å; E586-F588 HydrophobicContact CG-CD2 4.47Å; E586-F588 HydrophobicContact CG-CE1 3.7Å; E586-F588 HydrophobicContact CG-CE2 3.95Å; E586-F588 HydrophobicContact CG-CZ 3.53Å; E586-F588 WeakPolarHBondContact OE1-CE1 3.47Å
587	L	98.2	Very high	93.6	Very high	5 Å²	5	24 Å²	24	3%	0.026	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	108.8	175	-175.7	75.1	0	0	0	109.3	Y471 F473 P609 L611 V625 M629 F888	Y471-L587 HydrophobicContact CD1-CD2 4.39Å; F473-L587 HydrophobicContact CB-CD1 4.13Å; L587-P609 HydrophobicContact CD2-CG 4.34Å; L587-P609 HydrophobicContact CG-CG 4.4Å; L587-P609 WeakPolarHBondContact O-CD 3.41Å; L587-P609 WeakPolarHBondContact O-CG 3.41Å; L587-L611 HydrophobicContact CD2-CD2 4.39Å; L587-V625 HydrophobicContact CD1-CG1 4.2Å; L587-V625 HydrophobicContact CD2-CG1 3.78Å; L587-M629 HydrophobicContact CB-SD 3.68Å; L587-M629 HydrophobicContact CD1-SD 4.24Å; L587-M629 HydrophobicContact CD2-SD 3.88Å; L587-M629 HydrophobicContact CG-SD 4.14Å; L587-F888 HydrophobicContact CD1-CZ 4.22Å
588	F	98.3	Very high	94	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	140.3	179.1	-61.3	-73.1	0	0	0	111.5	L356 V472 V474 E586 F590 V605 N606 V607	L356-F588 HydrophobicContact CD2-CD1 3.87Å; L356-F588 HydrophobicContact CD2-CD2 4.23Å; L356-F588 HydrophobicContact CD2-CE1 3.76Å; L356-F588 HydrophobicContact CD2-CE2 4.11Å; L356-F588 HydrophobicContact CD2-CG 4.11Å; L356-F588 HydrophobicContact CD2-CZ 3.89Å; V472-F588 HydrophobicContact CB-CB 4.47Å; V472-F588 PolarHBondContact N-O 3.38Å; V472-F588 PolarHBondContact O-N 3.42Å; V474-F588 HydrophobicContact CB-CE2 4.13Å; V474-F588 HydrophobicContact CG2-CD2 3.91Å; V474-F588 HydrophobicContact CG2-CE2 3.82Å; E586-F588 HydrophobicContact CB-CE1 4.46Å; E586-F588 HydrophobicContact CB-CE2 3.84Å; E586-F588 HydrophobicContact CB-CZ 3.79Å; E586-F588 VanDerWaalsContact CD-CE1 3.41Å; E586-F588 HydrophobicContact CG-CD1 4.27Å; E586-F588 HydrophobicContact CG-CD2 4.47Å; E586-F588 HydrophobicContact CG-CE1 3.7Å; E586-F588 HydrophobicContact CG-CE2 3.95Å; E586-F588 HydrophobicContact CG-CZ 3.53Å; E586-F588 WeakPolarHBondContact OE1-CE1 3.47Å; F588-F590 HydrophobicContact CB-CD2 3.98Å; F588-F590 HydrophobicContact CB-CE2 3.78Å; F588-F590 HydrophobicContact CG-CE2 4.47Å; F588-V605 HydrophobicContact CB-CG1 3.86Å; F588-V605 HydrophobicContact CD1-CG1 4.09Å; F588-V605 HydrophobicContact CG-CG1 4.21Å; F588-N606 WeakPolarHBondContact CA-O 3.36Å; F588-V607 HydrophobicContact CD1-CG2 4.4Å; F588-V607 HydrophobicContact CE1-CG2 4.01Å
589	G	98	Very high	94.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	105.9	165.5	0	0	0	0	0	110.6	L470 N606	L470-G589 CarbonylContact O-C 3.36Å; L470-G589 WeakPolarHBondContact O-CA 3.2Å; G589-N606 PolarHBondContact N-O 2.79Å; G589-N606 WeakPolarHBondContact O-CB 3.37Å; G589-N606 PolarHBondContact O-N 3.49Å
590	F	98.2	Very high	95.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	132.9	173.5	-83.8	-113	0	0	0	109.7	R469 L470 V472 I559 T562 L563 F588 L602 V605	R469-F590 WeakPolarHBondContact CA-O 3.44Å; L470-F590 HydrophobicContact CB-CB 4.28Å; L470-F590 PolarHBondContact N-O 3.48Å; L470-F590 PolarHBondContact O-N 2.94Å; V472-F590 HydrophobicContact CB-CD2 3.73Å; V472-F590 HydrophobicContact CB-CE2 3.78Å; V472-F590 HydrophobicContact CG1-CD2 4.41Å; V472-F590 HydrophobicContact CG1-CE2 3.99Å; V472-F590 HydrophobicContact CG2-CB 4.47Å; V472-F590 HydrophobicContact CG2-CD2 3.47Å; V472-F590 VanDerWaalsContact CG2-CD2 3.47Å; V472-F590 HydrophobicContact CG2-CE2 3.87Å; V472-F590 HydrophobicContact CG2-CG 4.07Å; I559-F590 HydrophobicContact CB-CE1 4.29Å; I559-F590 HydrophobicContact CG1-CD1 3.93Å; I559-F590 HydrophobicContact CG1-CE1 4.14Å; I559-F590 HydrophobicContact CG1-CG 4.33Å; I559-F590 HydrophobicContact CG2-CE1 4.1Å; I559-F590 HydrophobicContact CG2-CE2 4.26Å; I559-F590 HydrophobicContact CG2-CZ 3.93Å; T562-F590 HydrophobicContact CG2-CE1 4.05Å; T562-F590 HydrophobicContact CG2-CZ 4.47Å; L563-F590 HydrophobicContact CD2-CZ 4.27Å; L563-F590 HydrophobicContact CG-CZ 4.4Å; F588-F590 HydrophobicContact CB-CD2 3.98Å; F588-F590 HydrophobicContact CB-CE2 3.78Å; F588-F590 HydrophobicContact CG-CE2 4.47Å; F590-L602 HydrophobicContact CD1-CD1 3.87Å; F590-L602 HydrophobicContact CE1-CD1 4.47Å; F590-V605 HydrophobicContact CD1-CG2 3.81Å; F590-V605 HydrophobicContact CD2-CG1 3.85Å; F590-V605 HydrophobicContact CD2-CG2 4.42Å; F590-V605 HydrophobicContact CE1-CG2 3.63Å; F590-V605 HydrophobicContact CE2-CG1 3.65Å; F590-V605 HydrophobicContact CE2-CG2 4.27Å; F590-V605 HydrophobicContact CG-CG1 4.37Å; F590-V605 HydrophobicContact CG-CG2 4.21Å; F590-V605 HydrophobicContact CZ-CG1 4.02Å; F590-V605 HydrophobicContact CZ-CG2 3.87Å
591	D	97.7	Very high	95.9	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.021	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	105.8	-179.4	-67.9	30.2	0	0	0	108.6	R469 R491 L603 E604 N606	R469-D591 IonicContact CZ-OD1 3.64Å; R469-D591 IonicContact CZ-OD2 3.15Å; R469-D591 IonicContact NE-OD1 2.56Å; R469-D591 PolarHBondContact NE-OD1 2.85Å; R469-D591 IonicContact NH2-OD1 3.66Å; R469-D591 PolarHBondContact NH2-OD1 3.4Å; R469-D591 IonicContact NH2-OD2 3.96Å; R469-D591 PolarHBondContact NH2-OD2 3.13Å; R491-D591 IonicContact CZ-OD2 3.96Å; R491-D591 IonicContact NH1-OD2 2.68Å; R491-D591 VanDerWaalsContact NH2-CG 3.34Å; R491-D591 IonicContact NH2-OD1 2.94Å; R491-D591 IonicContact NH2-OD2 3.03Å; R491-D591 PolarHBondContact NH2-OD2 2.78Å; D591-L603 HydrophobicContact CB-CB 4.38Å; D591-L603 WeakPolarHBondContact O-CB 3.5Å; D591-L603 PolarHBondContact O-N 3.14Å; D591-E604 HydrophobicContact CB-CG 3.89Å; D591-E604 PolarHBondContact N-O 3.07Å; D591-N606 VanDerWaalsContact CG-ND2 3.34Å; D591-N606 PolarHBondContact OD1-ND2 2.83Å; D591-N606 PolarHBondContact OD2-ND2 2.99Å
592	I	98	Very high	96.4	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	150	-178.3	-55.1	-59.7	0	0	0	109.7	I468 L470 I558 P600 W601 L602	I468-I592 HydrophobicContact CB-CB 4.36Å; I468-I592 PolarHBondContact N-O 3.26Å; I468-I592 PolarHBondContact O-N 3.16Å; L470-I592 HydrophobicContact CD1-CG1 4.01Å; I558-I592 HydrophobicContact CG2-CD1 4.12Å; I592-P600 HydrophobicContact CG2-CB 3.82Å; I592-W601 CarbonylContact C-O 3.45Å; I592-W601 WeakPolarHBondContact CA-O 3.45Å; I592-L602 HydrophobicContact CD1-CB 4.25Å; I592-L602 HydrophobicContact CD1-CD1 3.77Å
593	I	97.6	Very high	96.9	Very high	4 Å²	4	19 Å²	19	2%	0.021	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	148.4	165.6	-170.8	165.7	0	0	0	110.4	I455 P458 K465 F466 W601 L603	I455-I593 HydrophobicContact CD1-CG2 3.5Å; I455-I593 VanDerWaalsContact CD1-CG2 3.5Å; P458-I593 HydrophobicContact CB-CD1 4.06Å; K465-I593 HydrophobicContact CD-CD1 4.5Å; K465-I593 HydrophobicContact CG-CD1 4.38Å; F466-I593 WeakPolarHBondContact O-CD1 3.23Å; F466-I593 WeakPolarHBondContact O-CG1 3.49Å; I593-W601 HydrophobicContact CG2-CB 4.08Å; I593-W601 PolarHBondContact N-O 2.91Å; I593-W601 PolarHBondContact O-N 3.47Å; I593-L603 HydrophobicContact CB-CD1 3.96Å; I593-L603 HydrophobicContact CB-CG 4.31Å; I593-L603 HydrophobicContact CG2-CD1 3.91Å; I593-L603 HydrophobicContact CG2-CD2 3.73Å; I593-L603 HydrophobicContact CG2-CG 3.81Å
594	L	97.9	Very high	97	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	137.6	171.6	-51.5	-175.2	0	0	0	109.4	P458 Y459 F466 I468 L541 L551 L598 K599 P600	P458-L594 WeakPolarHBondContact CA-O 3.34Å; Y459-L594 PolarHBondContact N-O 2.88Å; F466-L594 HydrophobicContact CZ-CD1 4.32Å; I468-L594 HydrophobicContact CD1-CD1 4.34Å; I468-L594 HydrophobicContact CD1-CD2 4.31Å; I468-L594 HydrophobicContact CD1-CG 4.14Å; L541-L594 HydrophobicContact CD1-CD1 4.22Å; L551-L594 HydrophobicContact CD1-CD2 3.93Å; L551-L594 HydrophobicContact CD2-CD1 4.02Å; L551-L594 HydrophobicContact CD2-CD2 4.49Å; L594-L598 HydrophobicContact CD1-CD2 3.95Å; L594-K599 WeakPolarHBondContact CA-O 3.46Å; L594-P600 HydrophobicContact CD2-CB 3.93Å
595	D	96.1	Very high	97.1	Very high	17 Å²	17	19.9 Å²	19.9	9%	0.091	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-84.6	176.3	162.5	64.6	18.2	0	0	0	111.7	I455 Q457 Y459 D597 L598 K599 W601	I455-D595 HydrophobicContact CG2-CB 4.14Å; Q457-D595 CarbonylContact O-C 3.49Å; Q457-D595 WeakPolarHBondContact O-CA 3.4Å; Q457-D595 WeakPolarHBondContact O-CB 3.36Å; Y459-D595 WeakPolarHBondContact CB-O 3.45Å; D595-D597 PolarHBondContact O-N 2.88Å; D595-D597 VanDerWaalsContact O-N 3.16Å; D595-D597 PolarHBondContact OD1-N 3.29Å; D595-L598 WeakPolarHBondContact O-CA 3.37Å; D595-L598 PolarHBondContact O-N 3.05Å; D595-L598 PolarHBondContact OD1-N 3.04Å; D595-K599 PolarHBondContact N-O 2.93Å; D595-K599 VanDerWaalsContact N-O 3.15Å; D595-K599 WeakPolarHBondContact OD1-CA 3.41Å; D595-K599 VanDerWaalsContact OD1-CB 3.28Å; D595-K599 WeakPolarHBondContact OD1-CB 3.43Å; D595-K599 PolarHBondContact OD1-N 3.17Å; D595-W601 PolarHBondContact OD2-NE1 3.29Å
596	A	95.4	Very high	97.1	Very high	47 Å²	47	21 Å²	21	39%	0.388	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-28.5	-178.8	0	0	0	0	0	113.4	Q457 L598	Q457-A596 HydrophobicContact CB-CB 4.36Å; Q457-A596 PolarHBondContact O-N 3.4Å; A596-L598 PolarHBondContact O-N 3.21Å
597	D	95.4	Very high	96.9	Very high	141 Å²	141	21.6 Å²	21.6	75%	0.754	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	14.4	179.2	-49.1	-46.3	0	0	0	112.2	D595 K599	D595-D597 PolarHBondContact O-N 2.88Å; D595-D597 VanDerWaalsContact O-N 3.16Å; D595-D597 PolarHBondContact OD1-N 3.29Å; D597-K599 PolarHBondContact O-N 3.15Å; D597-K599 VanDerWaalsContact O-N 3.15Å
598	L	96.4	Very high	96.5	Very high	37 Å²	37	24.9 Å²	24.9	19%	0.194	14%	0.14	C	C	.	.			trans	51.5	33.6	-174.3	-61.5	174.5	0	0	0	113.1	Y459 L541 A546 R554 L594 D595 A596 P600	Y459-L598 HydrophobicContact CD1-CD2 4.16Å; Y459-L598 HydrophobicContact CD2-CD2 3.56Å; Y459-L598 HydrophobicContact CD2-CG 4.34Å; Y459-L598 HydrophobicContact CE1-CD2 4.37Å; Y459-L598 HydrophobicContact CE2-CD2 3.78Å; Y459-L598 HydrophobicContact CE2-CG 4.42Å; Y459-L598 HydrophobicContact CG-CD2 3.78Å; L541-L598 HydrophobicContact CD2-CD2 4.07Å; A546-L598 HydrophobicContact CB-CD1 3.64Å; R554-L598 PolarHBondContact NH1-O 3.38Å; L594-L598 HydrophobicContact CD1-CD2 3.95Å; D595-L598 WeakPolarHBondContact O-CA 3.37Å; D595-L598 PolarHBondContact O-N 3.05Å; D595-L598 PolarHBondContact OD1-N 3.04Å; A596-L598 PolarHBondContact O-N 3.21Å; L598-P600 WeakPolarHBondContact O-CD 3.44Å
599	K	97	Very high	96.3	Very high	46 Å²	46	25.2 Å²	25.2	20%	0.2	14%	0.142	C	C	.	.			trans	-84.3	123.9	168.7	176.7	-176.1	173.5	-176.8	0	109.7	D379 L594 D595 D597 W601	D379-K599 WeakPolarHBondContact O-CE 3.37Å; D379-K599 PolarHBondContact O-NZ 3.44Å; D379-K599 IonicContact OD2-NZ 3.1Å; D379-K599 PolarHBondContact OD2-NZ 3.03Å; L594-K599 WeakPolarHBondContact CA-O 3.46Å; D595-K599 PolarHBondContact N-O 2.93Å; D595-K599 VanDerWaalsContact N-O 3.15Å; D595-K599 WeakPolarHBondContact OD1-CA 3.41Å; D595-K599 VanDerWaalsContact OD1-CB 3.28Å; D595-K599 WeakPolarHBondContact OD1-CB 3.43Å; D595-K599 PolarHBondContact OD1-N 3.17Å; D597-K599 PolarHBondContact O-N 3.15Å; D597-K599 VanDerWaalsContact O-N 3.15Å; K599-W601 HydrophobicContact CD-CZ2 3.77Å
600	P	98.1	Very high	96	Very high	4 Å²	4	28.1 Å²	28.1	3%	0.026	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	134.2	174.6	28.3	-31.3	0	0	0	111.6	L551 R554 I555 I558 I592 L594 L598	L551-P600 HydrophobicContact CD1-CB 4.36Å; L551-P600 HydrophobicContact CD1-CG 4.01Å; R554-P600 HydrophobicContact CB-CG 4.06Å; I555-P600 HydrophobicContact CD1-CB 4.4Å; I555-P600 HydrophobicContact CG1-CB 3.73Å; I555-P600 HydrophobicContact CG1-CG 3.99Å; I558-P600 HydrophobicContact CD1-CB 3.8Å; I558-P600 HydrophobicContact CD1-CG 3.65Å; I558-P600 WeakPolarHBondContact CD1-O 3.34Å; I592-P600 HydrophobicContact CG2-CB 3.82Å; L594-P600 HydrophobicContact CD2-CB 3.93Å; L598-P600 WeakPolarHBondContact O-CD 3.44Å
601	W	98.1	Very high	95.8	Very high	39 Å²	39	28.3 Å²	28.3	15%	0.148	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	133.3	176.5	-64.5	88.1	0	0	0	111.4	D379 F380 P382 I455 I592 I593 D595 K599	D379-W601 WeakPolarHBondContact O-CZ3 3.2Å; F380-W601 CarbonylContact O-C 3.31Å; F380-W601 WeakPolarHBondContact O-CA 3.23Å; P382-W601 HydrophobicContact CG-CD2 4.49Å; P382-W601 HydrophobicContact CG-CE3 3.92Å; I455-W601 HydrophobicContact CD1-CB 3.57Å; I455-W601 HydrophobicContact CD1-CD2 4.08Å; I455-W601 HydrophobicContact CD1-CG 3.53Å; I592-W601 CarbonylContact C-O 3.45Å; I592-W601 WeakPolarHBondContact CA-O 3.45Å; I593-W601 HydrophobicContact CG2-CB 4.08Å; I593-W601 PolarHBondContact N-O 2.91Å; I593-W601 PolarHBondContact O-N 3.47Å; D595-W601 PolarHBondContact OD2-NE1 3.29Å; K599-W601 HydrophobicContact CD-CZ2 3.77Å
602	L	98.1	Very high	95.4	Very high	2 Å²	2	34 Å²	34	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	123.1	173.4	-179.4	65.1	0	0	0	111.1	L362 L366 F380 V381 P382 I558 T562 F590 I592 V605	L362-L602 HydrophobicContact CD1-CD2 4.41Å; L362-L602 HydrophobicContact CD2-CD2 4.47Å; L366-L602 HydrophobicContact CD1-CD2 4.21Å; F380-L602 HydrophobicContact CD2-CB 4.33Å; F380-L602 PolarHBondContact O-N 3.07Å; V381-L602 HydrophobicContact CG2-CB 4.07Å; V381-L602 HydrophobicContact CG2-CD2 4.21Å; P382-L602 WeakPolarHBondContact CD-O 3.45Å; I558-L602 HydrophobicContact CG2-CB 4.18Å; T562-L602 HydrophobicContact CG2-CD2 3.7Å; F590-L602 HydrophobicContact CD1-CD1 3.87Å; F590-L602 HydrophobicContact CE1-CD1 4.47Å; I592-L602 HydrophobicContact CD1-CB 4.25Å; I592-L602 HydrophobicContact CD1-CD1 3.77Å; L602-V605 HydrophobicContact CD1-CG2 4.09Å; L602-V605 HydrophobicContact CD2-CG2 4.39Å
603	L	94.8	Very high	95.1	Very high	41 Å²	41	35.8 Å²	35.8	22%	0.215	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-45.4	177.2	-65	-178.4	0	0	0	113.1	K424 I455 D591 I593	K424-L603 PolarHBondContact NZ-O 3Å; I455-L603 HydrophobicContact CD1-CD2 4.43Å; D591-L603 HydrophobicContact CB-CB 4.38Å; D591-L603 WeakPolarHBondContact O-CB 3.5Å; D591-L603 PolarHBondContact O-N 3.14Å; I593-L603 HydrophobicContact CB-CD1 3.96Å; I593-L603 HydrophobicContact CB-CG 4.31Å; I593-L603 HydrophobicContact CG2-CD1 3.91Å; I593-L603 HydrophobicContact CG2-CD2 3.73Å; I593-L603 HydrophobicContact CG2-CG 3.81Å
604	E	95.1	Very high	94.5	Very high	23 Å²	23	41 Å²	41	11%	0.107	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	167.2	176.8	54.8	-170.9	-136.3	0	0	111.7	K359 D591	K359-E604 WeakPolarHBondContact CE-OE2 3.47Å; K359-E604 IonicContact NZ-OE1 3.4Å; K359-E604 IonicContact NZ-OE2 2.79Å; K359-E604 PolarHBondContact NZ-OE2 2.99Å; D591-E604 HydrophobicContact CB-CG 3.89Å; D591-E604 PolarHBondContact N-O 3.07Å
605	V	97.2	Very high	94.1	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	131.8	168.6	-174.2	0	0	0	0	108.3	L356 G357 L362 T562 F588 F590 L602	L356-V605 HydrophobicContact CD1-CG2 4.26Å; L356-V605 HydrophobicContact CD2-CG1 3.94Å; L356-V605 HydrophobicContact CG-CB 4.1Å; L356-V605 HydrophobicContact CG-CG1 3.89Å; L356-V605 HydrophobicContact CG-CG2 4.34Å; G357-V605 WeakPolarHBondContact CA-O 3.46Å; L362-V605 HydrophobicContact CD1-CG2 4.29Å; L362-V605 HydrophobicContact CD2-CG2 4.29Å; T562-V605 HydrophobicContact CG2-CG2 4.26Å; F588-V605 HydrophobicContact CB-CG1 3.86Å; F588-V605 HydrophobicContact CD1-CG1 4.09Å; F588-V605 HydrophobicContact CG-CG1 4.21Å; F590-V605 HydrophobicContact CD1-CG2 3.81Å; F590-V605 HydrophobicContact CD2-CG1 3.85Å; F590-V605 HydrophobicContact CD2-CG2 4.42Å; F590-V605 HydrophobicContact CE1-CG2 3.63Å; F590-V605 HydrophobicContact CE2-CG1 3.65Å; F590-V605 HydrophobicContact CE2-CG2 4.27Å; F590-V605 HydrophobicContact CG-CG1 4.37Å; F590-V605 HydrophobicContact CG-CG2 4.21Å; F590-V605 HydrophobicContact CZ-CG1 4.02Å; F590-V605 HydrophobicContact CZ-CG2 3.87Å; L602-V605 HydrophobicContact CD1-CG2 4.09Å; L602-V605 HydrophobicContact CD2-CG2 4.39Å
606	N	95.8	Very high	93.8	Very high	29 Å²	29	48.7 Å²	48.7	16%	0.155	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	115.4	-178	-72.9	-79.4	0	0	0	110.2	R469 F588 G589 D591 S608	R469-N606 PolarHBondContact NH2-ND2 3.39Å; F588-N606 WeakPolarHBondContact CA-O 3.36Å; G589-N606 PolarHBondContact N-O 2.79Å; G589-N606 WeakPolarHBondContact O-CB 3.37Å; G589-N606 PolarHBondContact O-N 3.49Å; D591-N606 VanDerWaalsContact CG-ND2 3.34Å; D591-N606 PolarHBondContact OD1-ND2 2.83Å; D591-N606 PolarHBondContact OD2-ND2 2.99Å; N606-S608 VanDerWaalsContact C-N 3.28Å; N606-S608 PolarHBondContact O-N 2.8Å
607	V	93.7	Very high	93.6	Very high	13 Å²	13	48.3 Å²	48.3	8%	0.079	26%	0.257	C	S	.	.	S	Bend	trans	-64.4	-29.8	175.3	150	0	0	0	0	112.9	H349 S353 F354 F588	H349-V607 PolarHBondContact CE1-O 3.32Å; S353-V607 WeakPolarHBondContact O-CG2 3.41Å; F354-V607 HydrophobicContact CE1-CG1 4.27Å; F588-V607 HydrophobicContact CD1-CG2 4.4Å; F588-V607 HydrophobicContact CE1-CG2 4.01Å
608	S	90.5	Very high	93.5	Very high	73 Å²	73	42 Å²	42	51%	0.51	22%	0.223	S	C	.	.	S	Bend	trans	-130.6	84.4	175	-56.2	0	0	0	0	108.1	H349 N606	H349-S608 PolarHBondContact CE1-OG 2.9Å; N606-S608 VanDerWaalsContact C-N 3.28Å; N606-S608 PolarHBondContact O-N 2.8Å
609	P	93.8	Very high	93.4	Very high	8 Å²	8	42.4 Å²	42.4	5%	0.052	23%	0.225	C	C	.	.			trans	-61.9	142.8	175.5	25.7	-32.7	0	0	0	110.4	Y471 L587 L611	Y471-P609 HydrophobicContact CE1-CB 4.27Å; L587-P609 HydrophobicContact CD2-CG 4.34Å; L587-P609 HydrophobicContact CG-CG 4.4Å; L587-P609 WeakPolarHBondContact O-CD 3.41Å; L587-P609 WeakPolarHBondContact O-CG 3.41Å; P609-L611 PolarHBondContact O-N 3.37Å; P609-L611 VanDerWaalsContact O-N 3.11Å
610	S	90.7	Very high	93.2	Very high	61 Å²	61	44 Å²	44	43%	0.427	23%	0.234	S	C	.	.			trans	-65.3	114.5	176.4	173.1	0	0	0	0	110.6	H612 K622	S610-H612 PolarHBondContact OG-CD2 2.82Å; S610-K622 WeakPolarHBondContact O-CE 3.28Å; S610-K622 PolarHBondContact O-NZ 2.64Å
611	L	93.5	Very high	93.1	Very high	3 Å²	3	44 Å²	44	2%	0.016	23%	0.234	C	C	.	.			trans	-101	21.3	173.9	-65.2	178.6	0	0	0	112.4	P304 V306 Y329 Y471 L587 P609 K622 V626	P304-L611 HydrophobicContact CB-CB 3.94Å; P304-L611 HydrophobicContact CG-CB 3.91Å; P304-L611 HydrophobicContact CG-CD1 4.29Å; V306-L611 HydrophobicContact CG1-CB 3.96Å; V306-L611 VanDerWaalsContact CG1-O 3.28Å; V306-L611 WeakPolarHBondContact CG1-O 3.27Å; Y329-L611 HydrophobicContact CE1-CD1 4.33Å; Y329-L611 VanDerWaalsContact OH-CD1 3.24Å; Y329-L611 WeakPolarHBondContact OH-CD1 3.46Å; Y471-L611 HydrophobicContact CE1-CD2 4.32Å; L587-L611 HydrophobicContact CD2-CD2 4.39Å; P609-L611 PolarHBondContact O-N 3.37Å; P609-L611 VanDerWaalsContact O-N 3.11Å; L611-K622 HydrophobicContact CD2-CB 4.34Å; L611-K622 HydrophobicContact CD2-CG 4.16Å; L611-V626 HydrophobicContact CD1-CG2 3.71Å; L611-V626 HydrophobicContact CD2-CG2 4.09Å; L611-V626 HydrophobicContact CG-CG2 4.47Å
612	H	91.2	Very high	93	Very high	124 Å²	124	42.6 Å²	42.6	57%	0.574	23%	0.229	S	C	*	.			trans	-72.1	142.4	171.3	-67.4	-101.2	0	0	0	110.9	S610 N614 K622	S610-H612 PolarHBondContact OG-CD2 2.82Å; H612-N614 WeakPolarHBondContact CB-OD1 3.48Å; H612-K622 WeakPolarHBondContact O-CD 3.41Å; H612-K622 PolarHBondContact O-NZ 2.82Å
613	T	90.1	Very high	93	Very high	37 Å²	37	43.2 Å²	43.2	23%	0.227	23%	0.233	C	C	.	.			trans	-116.3	46.1	-167.4	52.4	0	0	0	0	112.4	V306 T615 D619 K622	V306-T613 HydrophobicContact CB-CG2 4.05Å; V306-T613 HydrophobicContact CG1-CG2 4.43Å; T613-T615 PolarHBondContact O-N 2.67Å; T613-T615 VanDerWaalsContact O-N 3.16Å; T613-D619 WeakPolarHBondContact CB-OD1 3.24Å; T613-D619 HydrophobicContact CG2-CB 4.34Å; T613-D619 VanDerWaalsContact CG2-OD1 3.23Å; T613-D619 WeakPolarHBondContact CG2-OD1 3.33Å; T613-D619 PolarHBondContact OG1-OD1 3.09Å; T613-K622 HydrophobicContact CG2-CB 4.18Å; T613-K622 HydrophobicContact CG2-CD 4.25Å
614	N	86.5	Confident	93	Very high	113 Å²	113	42.4 Å²	42.4	60%	0.604	23%	0.232	S	C	*	.			trans	-70.1	-4.9	-172.7	-61.8	46.6	0	0	0	115.1	H612	H612-N614 WeakPolarHBondContact CB-OD1 3.48Å
615	T	88	Confident	93.1	Very high	29 Å²	29	41.3 Å²	41.3	18%	0.178	23%	0.226	C	C	.	.	S	Bend	trans	-138.5	157.1	170.7	73.6	0	0	0	0	109	T613 L617 D618 D619	T613-T615 PolarHBondContact O-N 2.67Å; T613-T615 VanDerWaalsContact O-N 3.16Å; T615-L617 PolarHBondContact O-N 2.8Å; T615-D618 WeakPolarHBondContact O-CA 3.35Å; T615-D618 WeakPolarHBondContact O-CB 3.27Å; T615-D618 PolarHBondContact O-N 3.43Å; T615-D618 PolarHBondContact OG1-N 3.13Å; T615-D618 PolarHBondContact OG1-OD2 3.12Å; T615-D619 PolarHBondContact O-N 2.9Å
616	Q	90.6	Very high	93.1	Very high	150 Å²	150	41.2 Å²	41.2	70%	0.701	23%	0.226	S	C	*	.	H	α-helix	trans	-54.3	-41.1	175.9	-178.8	-177.7	-24	0	0	112.1	D618 D619 E620	Q616-D618 PolarHBondContact O-N 3.33Å; Q616-D619 PolarHBondContact O-N 3.42Å; Q616-D619 VanDerWaalsContact O-N 3.11Å; Q616-E620 HydrophobicContact CG-CG 4.33Å; Q616-E620 WeakPolarHBondContact CG-OE1 2.94Å; Q616-E620 PolarHBondContact NE2-OE1 3.32Å; Q616-E620 WeakPolarHBondContact O-CG 3.47Å; Q616-E620 PolarHBondContact O-N 3.21Å
617	L	91.6	Very high	93.2	Very high	40 Å²	40	41 Å²	41	21%	0.209	22%	0.224	C	C	.	.	H	α-helix	trans	-63.9	-39.5	176.9	-172.4	155.1	0	0	0	112.2	L489 K531 K533 T615 V621	L489-L617 HydrophobicContact CD2-CD2 3.34Å; K531-L617 HydrophobicContact CB-CD2 4.18Å; K533-L617 HydrophobicContact CG-CD1 4.23Å; K533-L617 HydrophobicContact CG-CG 4.2Å; T615-L617 PolarHBondContact O-N 2.8Å; L617-V621 WeakPolarHBondContact O-CG2 3.37Å; L617-V621 PolarHBondContact O-N 2.82Å
618	D	92.9	Very high	93.3	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.037	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-42	170.5	-81.9	-58.5	0	0	0	111.2	L489 K531 T615 Q616 K622	L489-D618 WeakPolarHBondContact CD1-OD1 3.21Å; K531-D618 IonicContact NZ-OD2 3.58Å; K531-D618 PolarHBondContact NZ-OD2 2.95Å; T615-D618 WeakPolarHBondContact O-CA 3.35Å; T615-D618 WeakPolarHBondContact O-CB 3.27Å; T615-D618 PolarHBondContact O-N 3.43Å; T615-D618 PolarHBondContact OG1-N 3.13Å; T615-D618 PolarHBondContact OG1-OD2 3.12Å; Q616-D618 PolarHBondContact O-N 3.33Å; D618-K622 HydrophobicContact CB-CD 4.16Å; D618-K622 WeakPolarHBondContact O-CB 3.5Å; D618-K622 VanDerWaalsContact O-CD 3.3Å; D618-K622 WeakPolarHBondContact O-CD 3.48Å; D618-K622 VanDerWaalsContact O-CG 3.26Å; D618-K622 WeakPolarHBondContact O-CG 3.26Å; D618-K622 PolarHBondContact O-N 3.28Å; D618-K622 WeakPolarHBondContact OD1-CE 3.44Å; D618-K622 IonicContact OD1-NZ 2.84Å; D618-K622 PolarHBondContact OD1-NZ 2.89Å
619	D	93.9	Very high	93.6	Very high	46 Å²	46	37.1 Å²	37.1	25%	0.246	20%	0.197	C	C	.	.	H	α-helix	trans	-65.7	-47.4	-178	-156.7	56.9	0	0	0	112.8	R309 T613 T615 Q616 T623	R309-D619 IonicContact CZ-OD1 3.58Å; R309-D619 IonicContact CZ-OD2 2.7Å; R309-D619 IonicContact NH1-OD1 3.64Å; R309-D619 PolarHBondContact NH1-OD1 2.89Å; R309-D619 IonicContact NH1-OD2 2.96Å; R309-D619 PolarHBondContact NH1-OD2 3.04Å; R309-D619 IonicContact NH2-OD1 3.28Å; R309-D619 PolarHBondContact NH2-OD1 3.1Å; R309-D619 IonicContact NH2-OD2 2.66Å; T613-D619 WeakPolarHBondContact CB-OD1 3.24Å; T613-D619 HydrophobicContact CG2-CB 4.34Å; T613-D619 VanDerWaalsContact CG2-OD1 3.23Å; T613-D619 WeakPolarHBondContact CG2-OD1 3.33Å; T613-D619 PolarHBondContact OG1-OD1 3.09Å; T615-D619 PolarHBondContact O-N 2.9Å; Q616-D619 PolarHBondContact O-N 3.42Å; Q616-D619 VanDerWaalsContact O-N 3.11Å; D619-T623 WeakPolarHBondContact O-CB 3.45Å; D619-T623 PolarHBondContact O-N 3.32Å; D619-T623 PolarHBondContact O-OG1 3.21Å
620	E	93.4	Very high	93.8	Very high	80 Å²	80	36.8 Å²	36.8	37%	0.374	19%	0.194	S	C	.	.	H	α-helix	trans	-57.8	-51.6	178.1	-74.9	176.2	-164.1	0	0	111.6	K533 Q616 A624	K533-E620 WeakPolarHBondContact CE-OE2 3.26Å; K533-E620 IonicContact NZ-OE2 2.68Å; K533-E620 PolarHBondContact NZ-OE2 2.99Å; Q616-E620 HydrophobicContact CG-CG 4.33Å; Q616-E620 WeakPolarHBondContact CG-OE1 2.94Å; Q616-E620 PolarHBondContact NE2-OE1 3.32Å; Q616-E620 WeakPolarHBondContact O-CG 3.47Å; Q616-E620 PolarHBondContact O-N 3.21Å; E620-A624 WeakPolarHBondContact O-CB 3.41Å; E620-A624 PolarHBondContact O-N 3.04Å
621	V	95.3	Very high	94	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.03	18%	0.178	C	C	.	.	H	α-helix	trans	-69	-47.7	-177.7	177.3	0	0	0	0	110.7	Y471 E487 L489 K533 L617 V625	Y471-V621 HydrophobicContact CE2-CG1 3.96Å; E487-V621 HydrophobicContact CG-CG1 4.29Å; E487-V621 HydrophobicContact CG-CG2 4Å; L489-V621 HydrophobicContact CD2-CB 4.3Å; L489-V621 HydrophobicContact CD2-CG1 4.41Å; L489-V621 HydrophobicContact CD2-CG2 4.24Å; K533-V621 HydrophobicContact CG-CG2 4.26Å; L617-V621 WeakPolarHBondContact O-CG2 3.37Å; L617-V621 PolarHBondContact O-N 2.82Å; V621-V625 HydrophobicContact CG1-CG2 4.32Å; V621-V625 WeakPolarHBondContact O-CB 3.24Å; V621-V625 WeakPolarHBondContact O-CG2 2.99Å; V621-V625 PolarHBondContact O-N 3.32Å
622	K	96.8	Very high	94.1	Very high	8 Å²	8	34.4 Å²	34.4	4%	0.035	18%	0.177	C	C	.	.	H	α-helix	trans	-74.7	-33.1	-173	-68.8	161.8	173.7	168.2	0	113.2	Y471 S610 L611 H612 T613 D618 V626	Y471-K622 VanDerWaalsContact OH-CE 3.22Å; Y471-K622 WeakPolarHBondContact OH-CE 3.42Å; S610-K622 WeakPolarHBondContact O-CE 3.28Å; S610-K622 PolarHBondContact O-NZ 2.64Å; L611-K622 HydrophobicContact CD2-CB 4.34Å; L611-K622 HydrophobicContact CD2-CG 4.16Å; H612-K622 WeakPolarHBondContact O-CD 3.41Å; H612-K622 PolarHBondContact O-NZ 2.82Å; T613-K622 HydrophobicContact CG2-CB 4.18Å; T613-K622 HydrophobicContact CG2-CD 4.25Å; D618-K622 HydrophobicContact CB-CD 4.16Å; D618-K622 WeakPolarHBondContact O-CB 3.5Å; D618-K622 VanDerWaalsContact O-CD 3.3Å; D618-K622 WeakPolarHBondContact O-CD 3.48Å; D618-K622 VanDerWaalsContact O-CG 3.26Å; D618-K622 WeakPolarHBondContact O-CG 3.26Å; D618-K622 PolarHBondContact O-N 3.28Å; D618-K622 WeakPolarHBondContact OD1-CE 3.44Å; D618-K622 IonicContact OD1-NZ 2.84Å; D618-K622 PolarHBondContact OD1-NZ 2.89Å; K622-V626 WeakPolarHBondContact O-CB 3.32Å; K622-V626 VanDerWaalsContact O-CG2 3.24Å; K622-V626 WeakPolarHBondContact O-CG2 3.31Å; K622-V626 PolarHBondContact O-N 3.45Å
623	T	97.1	Very high	94.3	Very high	16 Å²	16	28.8 Å²	28.8	10%	0.098	15%	0.151	C	C	.	.	H	α-helix	trans	-66.3	-42.7	176.5	-56	0	0	0	0	110.4	D279 V306 R309 I310 D619 V626 K627	D279-T623 HydrophobicContact CB-CG2 3.65Å; V306-T623 HydrophobicContact CG2-CG2 4.28Å; V306-T623 WeakPolarHBondContact CG2-OG1 3.25Å; R309-T623 PolarHBondContact NH2-OG1 3.26Å; R309-T623 VanDerWaalsContact NH2-OG1 3.13Å; I310-T623 HydrophobicContact CD1-CG2 4.08Å; I310-T623 HydrophobicContact CG1-CG2 4.35Å; D619-T623 WeakPolarHBondContact O-CB 3.45Å; D619-T623 PolarHBondContact O-N 3.32Å; D619-T623 PolarHBondContact O-OG1 3.21Å; T623-V626 PolarHBondContact O-N 2.93Å; T623-K627 WeakPolarHBondContact O-CB 3.32Å; T623-K627 PolarHBondContact O-N 3.48Å
624	A	95.8	Very high	94.3	Very high	23 Å²	23	27.3 Å²	27.3	19%	0.19	14%	0.144	C	C	.	.	H	α-helix	trans	-64.5	-48.4	174.9	0	0	0	0	0	112.1	Y485 E620 V626 K627 D628	Y485-A624 VanDerWaalsContact OH-C 3.3Å; Y485-A624 WeakPolarHBondContact OH-CB 3.45Å; E620-A624 WeakPolarHBondContact O-CB 3.41Å; E620-A624 PolarHBondContact O-N 3.04Å; A624-V626 VanDerWaalsContact C-N 3.31Å; A624-V626 PolarHBondContact O-N 3.02Å; A624-K627 PolarHBondContact O-N 3.48Å; A624-D628 WeakPolarHBondContact O-CB 3.44Å; A624-D628 PolarHBondContact O-N 3.23Å
625	V	97.5	Very high	94.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-52.4	-46.5	174.7	167.6	0	0	0	0	112.1	Y471 Y485 L587 V621 M629	Y471-V625 HydrophobicContact CD1-CG1 4.17Å; Y471-V625 HydrophobicContact CD2-CG2 3.82Å; Y471-V625 HydrophobicContact CE2-CG2 4.33Å; Y471-V625 HydrophobicContact CG-CG1 4.08Å; Y471-V625 HydrophobicContact CG-CG2 4.05Å; Y485-V625 HydrophobicContact CD1-CG2 3.33Å; Y485-V625 HydrophobicContact CD2-CG2 4.2Å; Y485-V625 HydrophobicContact CE1-CB 4.49Å; Y485-V625 HydrophobicContact CE1-CG2 3.5Å; Y485-V625 VanDerWaalsContact CE1-CG2 3.5Å; Y485-V625 HydrophobicContact CE2-CG2 4.33Å; Y485-V625 HydrophobicContact CG-CG2 3.71Å; L587-V625 HydrophobicContact CD1-CG1 4.2Å; L587-V625 HydrophobicContact CD2-CG1 3.78Å; V621-V625 HydrophobicContact CG1-CG2 4.32Å; V621-V625 WeakPolarHBondContact O-CB 3.24Å; V621-V625 WeakPolarHBondContact O-CG2 2.99Å; V621-V625 PolarHBondContact O-N 3.32Å; V625-M629 WeakPolarHBondContact O-CB 3.48Å; V625-M629 PolarHBondContact O-N 2.63Å
626	V	97.5	Very high	94.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-74	-38.6	-176.2	173.6	0	0	0	0	112.2	V306 V307 I310 L611 K622 T623 A624 M629 F630	V306-V626 HydrophobicContact CG1-CG2 4.29Å; V306-V626 HydrophobicContact CG2-CB 4.46Å; V306-V626 HydrophobicContact CG2-CG2 4.49Å; V307-V626 HydrophobicContact CG2-CG1 3.78Å; I310-V626 HydrophobicContact CD1-CB 3.76Å; I310-V626 HydrophobicContact CD1-CG1 3.55Å; L611-V626 HydrophobicContact CD1-CG2 3.71Å; L611-V626 HydrophobicContact CD2-CG2 4.09Å; L611-V626 HydrophobicContact CG-CG2 4.47Å; K622-V626 WeakPolarHBondContact O-CB 3.32Å; K622-V626 VanDerWaalsContact O-CG2 3.24Å; K622-V626 WeakPolarHBondContact O-CG2 3.31Å; K622-V626 PolarHBondContact O-N 3.45Å; T623-V626 PolarHBondContact O-N 2.93Å; A624-V626 VanDerWaalsContact C-N 3.31Å; A624-V626 PolarHBondContact O-N 3.02Å; V626-M629 HydrophobicContact CG1-CE 4.2Å; V626-F630 HydrophobicContact CG1-CD2 4.06Å; V626-F630 HydrophobicContact CG1-CE2 3.72Å; V626-F630 HydrophobicContact CG1-CZ 4.14Å; V626-F630 WeakPolarHBondContact O-CG 3.05Å; V626-F630 PolarHBondContact O-N 3.22Å; V626-F630 VanDerWaalsContact O-N 3.11Å
627	K	96.6	Very high	94.5	Very high	25 Å²	25	15.7 Å²	15.7	11%	0.109	8%	0.084	C	C	.	.	H	α-helix	trans	-60.2	-55.8	174.6	-178.7	-171.8	69.6	-176.9	0	110.4	F277 D279 I310 T623 A624 M629 F630 N631	F277-K627 WeakPolarHBondContact O-CG 3.31Å; D279-K627 HydrophobicContact CB-CD 4Å; D279-K627 WeakPolarHBondContact OD2-CD 3.41Å; D279-K627 VanDerWaalsContact OD2-CE 3.32Å; D279-K627 WeakPolarHBondContact OD2-CE 3.41Å; D279-K627 IonicContact OD2-NZ 3.71Å; D279-K627 PolarHBondContact OD2-NZ 3.23Å; I310-K627 HydrophobicContact CD1-CB 4.34Å; T623-K627 WeakPolarHBondContact O-CB 3.32Å; T623-K627 PolarHBondContact O-N 3.48Å; A624-K627 PolarHBondContact O-N 3.48Å; K627-M629 VanDerWaalsContact C-N 3.31Å; K627-M629 PolarHBondContact O-N 2.86Å; K627-F630 PolarHBondContact O-N 2.87Å; K627-F630 VanDerWaalsContact O-N 3.16Å; K627-N631 PolarHBondContact O-N 3.18Å; K627-N631 PolarHBondContact O-ND2 3.2Å
628	D	96.5	Very high	94.2	Very high	5 Å²	5	13.9 Å²	13.9	3%	0.027	8%	0.075	C	C	.	.	H	α-helix	trans	-63.4	-41.2	-174.5	-61.1	-1.3	0	0	0	110	Y485 A624 F630 N631 I632 G886 N887 F888	Y485-D628 HydrophobicContact CE2-CB 3.97Å; Y485-D628 VanDerWaalsContact CE2-OD2 3.23Å; Y485-D628 WeakPolarHBondContact CE2-OD2 3.44Å; Y485-D628 PolarHBondContact OH-OD2 2.78Å; A624-D628 WeakPolarHBondContact O-CB 3.44Å; A624-D628 PolarHBondContact O-N 3.23Å; D628-F630 PolarHBondContact O-N 3.29Å; D628-N631 PolarHBondContact O-N 2.9Å; D628-I632 VanDerWaalsContact O-CG1 3.28Å; D628-I632 WeakPolarHBondContact O-CG1 3.25Å; D628-I632 PolarHBondContact O-N 3.18Å; D628-G886 WeakPolarHBondContact OD2-CA 3.44Å; D628-N887 PolarHBondContact OD2-N 3.32Å; D628-F888 HydrophobicContact CB-CD2 3.8Å; D628-F888 HydrophobicContact CB-CE2 3.91Å
629	M	97.3	Very high	93.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-54.7	-51.2	172.9	174.5	-170.3	72.4	0	0	111.9	Y329 F473 Y585 L587 V625 V626 K627 N631 I632 C633 F888	Y329-M629 HydrophobicContact CD2-CE 4.35Å; Y329-M629 HydrophobicContact CE2-CE 3.87Å; F473-M629 HydrophobicContact CD2-CG 3.67Å; F473-M629 HydrophobicContact CD2-SD 4.46Å; F473-M629 HydrophobicContact CE2-CG 3.77Å; Y585-M629 HydrophobicContact CE2-SD 4.33Å; L587-M629 HydrophobicContact CB-SD 3.68Å; L587-M629 HydrophobicContact CD1-SD 4.24Å; L587-M629 HydrophobicContact CD2-SD 3.88Å; L587-M629 HydrophobicContact CG-SD 4.14Å; V625-M629 WeakPolarHBondContact O-CB 3.48Å; V625-M629 PolarHBondContact O-N 2.63Å; V626-M629 HydrophobicContact CG1-CE 4.2Å; K627-M629 VanDerWaalsContact C-N 3.31Å; K627-M629 PolarHBondContact O-N 2.86Å; M629-N631 VanDerWaalsContact C-N 3.32Å; M629-N631 PolarHBondContact O-N 3.4Å; M629-I632 PolarHBondContact O-N 3.12Å; M629-C633 PolarHBondContact O-N 2.64Å; M629-C633 PolarHBondContact O-SG 2.93Å; M629-F888 HydrophobicContact CB-CE2 4.16Å; M629-F888 HydrophobicContact CB-CZ 4.41Å
630	F	97.2	Very high	92	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-66	-33.4	-178.7	-72.6	-26.5	0	0	0	113	F277 W297 V307 I310 Y329 V626 K627 D628 C633 F635	F277-F630 HydrophobicContact CB-CB 3.99Å; F277-F630 HydrophobicContact CD1-CB 3.87Å; F277-F630 AromaticContact CD1-CD2 3.72Å; F277-F630 HydrophobicContact CD1-CD2 3.72Å; F277-F630 HydrophobicContact CD1-CG 4.14Å; F277-F630 HydrophobicContact CD2-CB 3.59Å; F277-F630 HydrophobicContact CE1-CB 4.22Å; F277-F630 HydrophobicContact CE1-CD2 4.07Å; F277-F630 HydrophobicContact CE1-CG 4.31Å; F277-F630 HydrophobicContact CE2-CB 3.99Å; F277-F630 HydrophobicContact CG-CB 3.53Å; F277-F630 HydrophobicContact CG-CD2 4.18Å; F277-F630 HydrophobicContact CG-CG 4.3Å; F277-F630 HydrophobicContact CZ-CB 4.28Å; W297-F630 AromaticContact CH2-CE1 3.99Å; W297-F630 HydrophobicContact CH2-CE1 3.99Å; W297-F630 AromaticContact CH2-CZ 3.9Å; W297-F630 HydrophobicContact CH2-CZ 3.9Å; W297-F630 HydrophobicContact CZ2-CZ 4.15Å; V307-F630 HydrophobicContact CG1-CE2 4.05Å; V307-F630 HydrophobicContact CG1-CZ 3.79Å; V307-F630 HydrophobicContact CG2-CZ 4.18Å; I310-F630 HydrophobicContact CG2-CD2 4.01Å; I310-F630 HydrophobicContact CG2-CE2 4.37Å; Y329-F630 HydrophobicContact CD2-CE1 4.1Å; Y329-F630 HydrophobicContact CD2-CZ 4.29Å; V626-F630 HydrophobicContact CG1-CD2 4.06Å; V626-F630 HydrophobicContact CG1-CE2 3.72Å; V626-F630 HydrophobicContact CG1-CZ 4.14Å; V626-F630 WeakPolarHBondContact O-CG 3.05Å; V626-F630 PolarHBondContact O-N 3.22Å; V626-F630 VanDerWaalsContact O-N 3.11Å; K627-F630 PolarHBondContact O-N 2.87Å; K627-F630 VanDerWaalsContact O-N 3.16Å; D628-F630 PolarHBondContact O-N 3.29Å; F630-C633 WeakPolarHBondContact O-CB 3.25Å; F630-C633 PolarHBondContact O-N 3.39Å; F630-F635 HydrophobicContact CB-CE2 4.13Å; F630-F635 AromaticContact CD1-CE2 3.7Å; F630-F635 HydrophobicContact CD1-CE2 3.7Å; F630-F635 HydrophobicContact CD1-CZ 4.07Å; F630-F635 HydrophobicContact CE1-CE2 4.43Å; F630-F635 HydrophobicContact CE1-CZ 4.37Å; F630-F635 HydrophobicContact CG-CE2 4.16Å; F630-F635 WeakPolarHBondContact O-CD2 3.31Å
631	N	95.7	Very high	90.7	Very high	14 Å²	14	19.4 Å²	19.4	8%	0.075	11%	0.106	C	C	.	.	H	α-helix	trans	-64.7	-44	172.2	-73.2	-36.5	0	0	0	111.4	I264 F277 K627 D628 M629 C633 G634 R882	I264-N631 HydrophobicContact CD1-CB 3.92Å; F277-N631 PolarHBondContact N-OD1 3.03Å; F277-N631 PolarHBondContact O-ND2 3.11Å; F277-N631 PolarHBondContact O-OD1 3.46Å; K627-N631 PolarHBondContact O-N 3.18Å; K627-N631 PolarHBondContact O-ND2 3.2Å; D628-N631 PolarHBondContact O-N 2.9Å; M629-N631 VanDerWaalsContact C-N 3.32Å; M629-N631 PolarHBondContact O-N 3.4Å; N631-C633 PolarHBondContact O-N 3.36Å; N631-G634 PolarHBondContact O-N 3.47Å; N631-R882 WeakPolarHBondContact O-CD 3.27Å; N631-R882 PolarHBondContact O-NE 3.47Å
632	I	95.2	Very high	88.9	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-66.3	-39	176.4	-57.4	163.9	0	0	0	111.5	F473 D628 M629 G634 E879 R882 A883 F888	F473-I632 HydrophobicContact CD1-CG2 4.12Å; F473-I632 HydrophobicContact CE1-CB 3.95Å; F473-I632 HydrophobicContact CE1-CG2 3.47Å; F473-I632 VanDerWaalsContact CE1-CG2 3.47Å; F473-I632 HydrophobicContact CZ-CB 4.48Å; F473-I632 HydrophobicContact CZ-CG2 4.29Å; D628-I632 VanDerWaalsContact O-CG1 3.28Å; D628-I632 WeakPolarHBondContact O-CG1 3.25Å; D628-I632 PolarHBondContact O-N 3.18Å; M629-I632 PolarHBondContact O-N 3.12Å; I632-G634 PolarHBondContact O-N 2.8Å; I632-E879 HydrophobicContact CG2-CG 3.57Å; I632-R882 WeakPolarHBondContact CG1-O 3.39Å; I632-R882 PolarHBondContact O-NE 3.45Å; I632-R882 PolarHBondContact O-NH2 2.85Å; I632-A883 HydrophobicContact CD1-CB 3.95Å; I632-A883 HydrophobicContact CG1-CB 4.15Å; I632-F888 HydrophobicContact CD1-CB 3.56Å; I632-F888 HydrophobicContact CD1-CD2 3.3Å; I632-F888 HydrophobicContact CD1-CE2 4.13Å; I632-F888 HydrophobicContact CD1-CG 3.57Å
633	C	94	Very high	86.4	Confident	6 Å²	6	25.3 Å²	25.3	4%	0.041	14%	0.143	C	C	.	.	H	α-helix	trans	-50.9	-26.1	177.8	-74.8	0	0	0	0	114.3	K346 Y585 M629 F630 N631 F635	K346-C633 WeakPolarHBondContact CE-O 3.3Å; K346-C633 PolarHBondContact NZ-O 2.99Å; Y585-C633 WeakPolarHBondContact CD2-SG 3.35Å; Y585-C633 VanDerWaalsContact CE2-SG 3.59Å; Y585-C633 VanDerWaalsContact CG-SG 3.56Å; M629-C633 PolarHBondContact O-N 2.64Å; M629-C633 PolarHBondContact O-SG 2.93Å; F630-C633 WeakPolarHBondContact O-CB 3.25Å; F630-C633 PolarHBondContact O-N 3.39Å; N631-C633 PolarHBondContact O-N 3.36Å; C633-F635 HydrophobicContact CB-CD2 3.76Å; C633-F635 HydrophobicContact CB-CE2 3.46Å; C633-F635 VanDerWaalsContact CB-CE2 3.46Å; C633-F635 HydrophobicContact CB-CZ 4.29Å
634	G	91.5	Very high	83.7	Confident	6 Å²	6	26.6 Å²	26.6	6%	0.062	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	49.9	174.3	0	0	0	0	0	112.9	K346 N631 I632	K346-G634 WeakPolarHBondContact CE-O 3.36Å; N631-G634 PolarHBondContact O-N 3.47Å; I632-G634 PolarHBondContact O-N 2.8Å
635	F	93.2	Very high	81.3	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.154	C	C	.	.			trans	-61.3	139.7	175.1	-68.8	-93.2	0	0	0	110.9	V274 L275 F277 W297 I326 K346 Y585 F630 C633	V274-F635 CarbonylContact C-O 3.58Å; V274-F635 VanDerWaalsContact CA-O 3.29Å; V274-F635 WeakPolarHBondContact CA-O 3.42Å; V274-F635 WeakPolarHBondContact CB-O 3.39Å; L275-F635 HydrophobicContact CB-CB 4.47Å; L275-F635 HydrophobicContact CD1-CB 4.4Å; L275-F635 PolarHBondContact N-O 3.47Å; F277-F635 HydrophobicContact CE2-CB 4.02Å; F277-F635 AromaticContact CE2-CD2 3.45Å; F277-F635 HydrophobicContact CE2-CD2 3.45Å; F277-F635 VanDerWaalsContact CE2-CD2 3.45Å; F277-F635 HydrophobicContact CE2-CE2 4.18Å; F277-F635 HydrophobicContact CE2-CG 4.01Å; F277-F635 HydrophobicContact CZ-CB 4.09Å; F277-F635 AromaticContact CZ-CD2 3.49Å; F277-F635 HydrophobicContact CZ-CD2 3.49Å; F277-F635 VanDerWaalsContact CZ-CD2 3.49Å; F277-F635 AromaticContact CZ-CE2 3.99Å; F277-F635 HydrophobicContact CZ-CE2 3.99Å; F277-F635 AromaticContact CZ-CG 3.85Å; F277-F635 HydrophobicContact CZ-CG 3.85Å; W297-F635 HydrophobicContact CH2-CE1 4.03Å; W297-F635 AromaticContact CH2-CZ 3.82Å; W297-F635 HydrophobicContact CH2-CZ 3.82Å; W297-F635 HydrophobicContact CZ3-CD1 4.45Å; W297-F635 AromaticContact CZ3-CE1 3.78Å; W297-F635 HydrophobicContact CZ3-CE1 3.78Å; W297-F635 AromaticContact CZ3-CZ 3.93Å; W297-F635 HydrophobicContact CZ3-CZ 3.93Å; I326-F635 HydrophobicContact CG2-CB 4.14Å; I326-F635 HydrophobicContact CG2-CD1 3.82Å; I326-F635 HydrophobicContact CG2-CG 4.45Å; K346-F635 HydrophobicContact CB-CD1 4Å; K346-F635 HydrophobicContact CB-CE1 3.62Å; K346-F635 HydrophobicContact CB-CZ 4.28Å; K346-F635 HydrophobicContact CD-CD1 3.81Å; K346-F635 HydrophobicContact CD-CE1 4.13Å; K346-F635 HydrophobicContact CD-CG 4.09Å; K346-F635 HydrophobicContact CG-CD1 4.35Å; K346-F635 HydrophobicContact CG-CE1 4.42Å; Y585-F635 AromaticContact CE1-CZ 3.99Å; Y585-F635 HydrophobicContact CE1-CZ 3.99Å; F630-F635 HydrophobicContact CB-CE2 4.13Å; F630-F635 AromaticContact CD1-CE2 3.7Å; F630-F635 HydrophobicContact CD1-CE2 3.7Å; F630-F635 HydrophobicContact CD1-CZ 4.07Å; F630-F635 HydrophobicContact CE1-CE2 4.43Å; F630-F635 HydrophobicContact CE1-CZ 4.37Å; F630-F635 HydrophobicContact CG-CE2 4.16Å; F630-F635 WeakPolarHBondContact O-CD2 3.31Å; C633-F635 HydrophobicContact CB-CD2 3.76Å; C633-F635 HydrophobicContact CB-CE2 3.46Å; C633-F635 VanDerWaalsContact CB-CE2 3.46Å; C633-F635 HydrophobicContact CB-CZ 4.29Å
636	Q	89.9	Confident	78.5	Confident	40 Å²	40	31.5 Å²	31.5	19%	0.187	18%	0.181	C	C	.	.			trans	-126.4	153.2	-176	-80	171.9	-27	0	0	109.5	P272 V274 I326	P272-Q636 PolarHBondContact O-NE2 3.15Å; V274-Q636 HydrophobicContact CG1-CG 4.05Å; I326-Q636 WeakPolarHBondContact CG2-O 3.23Å
637	L	86.2	Confident	75.6	Confident	8 Å²	8	36.3 Å²	36.3	4%	0.042	21%	0.21	C	C	.	.			trans	-62.7	161.3	165.5	-66.6	173.1	0	0	0	110.3	L275 Y291 Q294 L295 I326 H642 L645	L275-L637 HydrophobicContact CD1-CD2 4.45Å; L275-L637 HydrophobicContact CD2-CD2 4.11Å; L275-L637 HydrophobicContact CD2-CG 4.12Å; Y291-L637 HydrophobicContact CD1-CD1 4.25Å; Y291-L637 HydrophobicContact CG-CD1 4.47Å; Q294-L637 HydrophobicContact CB-CD2 4.25Å; L295-L637 HydrophobicContact CD2-CD2 3.95Å; I326-L637 HydrophobicContact CD1-CD2 4.06Å; L637-H642 PolarHBondContact O-CE1 3.43Å; L637-H642 PolarHBondContact O-NE2 3.21Å; L637-L645 HydrophobicContact CD1-CD1 3.61Å; L637-L645 HydrophobicContact CD1-CD2 4.47Å
638	P	84.2	Confident	72.6	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.013	22%	0.219	C	C	.	.			trans	-59.3	148.9	171.6	-21.8	33.8	0	0	0	111.5	Q294 Y344 D640 Y641	Q294-P638 HydrophobicContact CB-CG 4.41Å; Y344-P638 HydrophobicContact CD1-CB 4.17Å; Y344-P638 HydrophobicContact CD2-CG 4.31Å; Y344-P638 HydrophobicContact CE1-CB 4.07Å; Y344-P638 HydrophobicContact CE2-CB 4.47Å; Y344-P638 HydrophobicContact CE2-CG 4.12Å; Y344-P638 HydrophobicContact CG-CB 4.4Å; P638-D640 VanDerWaalsContact C-N 3.25Å; P638-D640 PolarHBondContact O-N 3.39Å; P638-D640 VanDerWaalsContact O-N 3.1Å; P638-Y641 HydrophobicContact CB-CD2 4.2Å; P638-Y641 PolarHBondContact O-N 2.82Å
639	P	72.3	Confident	69.9	Low	62 Å²	62	39.9 Å²	39.9	40%	0.403	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-51.8	-39.6	-171.3	-30.5	36.3	0	0	0	115	Y641 H642	P639-Y641 PolarHBondContact O-N 3.26Å; P639-H642 WeakPolarHBondContact O-CB 3.29Å; P639-H642 PolarHBondContact O-N 3.39Å
640	D	69.1	Low	66.8	Low	122 Å²	122	43.7 Å²	43.7	65%	0.652	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-58.4	-15	-178.8	-34.4	-30.7	0	0	0	113.5	P638	P638-D640 VanDerWaalsContact C-N 3.25Å; P638-D640 PolarHBondContact O-N 3.39Å; P638-D640 VanDerWaalsContact O-N 3.1Å
641	Y	66.3	Low	63.7	Low	66 Å²	66	50.8 Å²	50.8	26%	0.259	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-109.5	1.9	-178.7	-63.6	-94.3	0	0	0	113.5	Y291 Q294 P638 P639 L645	Y291-Y641 AromaticContact CD1-CD1 3.82Å; Y291-Y641 HydrophobicContact CD1-CD1 3.82Å; Y291-Y641 HydrophobicContact CD1-CG 4.44Å; Y291-Y641 HydrophobicContact CE1-CD1 4.16Å; Q294-Y641 HydrophobicContact CG-CD1 4.07Å; Q294-Y641 HydrophobicContact CG-CD2 3.94Å; Q294-Y641 HydrophobicContact CG-CE1 3.85Å; Q294-Y641 HydrophobicContact CG-CE2 3.75Å; Q294-Y641 HydrophobicContact CG-CG 4.12Å; Q294-Y641 VanDerWaalsContact NE2-CZ 3.28Å; Q294-Y641 PolarHBondContact NE2-OH 2.87Å; P638-Y641 HydrophobicContact CB-CD2 4.2Å; P638-Y641 PolarHBondContact O-N 2.82Å; P639-Y641 PolarHBondContact O-N 3.26Å; Y641-L645 WeakPolarHBondContact O-CD1 3.47Å
642	H	58	Low	60.7	Low	50 Å²	50	52.4 Å²	52.4	23%	0.231	30%	0.303	C	S	.	.	H	α-helix	trans	-78.7	-36.9	179.1	-73.8	-29.8	0	0	0	114	L637 P639 S644	L637-H642 PolarHBondContact O-CE1 3.43Å; L637-H642 PolarHBondContact O-NE2 3.21Å; P639-H642 WeakPolarHBondContact O-CB 3.29Å; P639-H642 PolarHBondContact O-N 3.39Å; H642-S644 VanDerWaalsContact C-N 3.29Å; H642-S644 PolarHBondContact O-N 3.05Å
643	S	44.3	Very low	57.7	Low	87 Å²	87	60.8 Å²	60.8	61%	0.608	34%	0.335	S	S	*	.	H	α-helix	trans	-64.9	-29.8	-173.8	45.8	0	0	0	0	113.6	S646	S643-S646 PolarHBondContact O-OG 3.1Å
644	S	38.9	Very low	54.6	Low	42 Å²	42	64.8 Å²	64.8	29%	0.294	36%	0.363	S	S	.	.	H	α-helix	trans	-87.1	-39.3	-175	44.9	0	0	0	0	114.2	Y291 H642 S646 V647 T648	Y291-S644 WeakPolarHBondContact CE1-OG 3.39Å; Y291-S644 VanDerWaalsContact OH-CB 3.27Å; Y291-S644 WeakPolarHBondContact OH-CB 3.44Å; Y291-S644 PolarHBondContact OH-OG 3.05Å; Y291-S644 VanDerWaalsContact OH-OG 3.07Å; H642-S644 VanDerWaalsContact C-N 3.29Å; H642-S644 PolarHBondContact O-N 3.05Å; S644-S646 VanDerWaalsContact C-N 3.34Å; S644-S646 PolarHBondContact O-N 3.4Å; S644-V647 PolarHBondContact O-N 3.18Å; S644-T648 PolarHBondContact O-N 3.27Å; S644-T648 PolarHBondContact O-OG1 3.32Å
645	L	45.7	Very low	51.7	Low	46 Å²	46	70.5 Å²	70.5	24%	0.241	39%	0.392	C	S	.	.	H	α-helix	trans	-58.7	-43.9	177.6	-85.7	97.7	0	0	0	112.2	F287 Y291 L637 Y641 V647 T648 T649	F287-L645 HydrophobicContact CE1-CD2 4.18Å; Y291-L645 HydrophobicContact CD1-CD1 3.46Å; Y291-L645 VanDerWaalsContact CD1-CD1 3.46Å; Y291-L645 HydrophobicContact CD2-CD1 4.19Å; Y291-L645 HydrophobicContact CD2-CG 4.48Å; Y291-L645 HydrophobicContact CE1-CD1 3.28Å; Y291-L645 HydrophobicContact CE1-CG 4.19Å; Y291-L645 HydrophobicContact CE2-CD1 4.04Å; Y291-L645 HydrophobicContact CE2-CG 4.14Å; Y291-L645 HydrophobicContact CG-CD1 3.91Å; L637-L645 HydrophobicContact CD1-CD1 3.61Å; L637-L645 HydrophobicContact CD1-CD2 4.47Å; Y641-L645 WeakPolarHBondContact O-CD1 3.47Å; L645-V647 PolarHBondContact O-N 3.09Å; L645-V647 VanDerWaalsContact O-N 3.14Å; L645-T648 PolarHBondContact O-N 3.48Å; L645-T649 PolarHBondContact O-N 3.01Å; L645-T649 PolarHBondContact O-OG1 3.14Å
646	S	39.4	Very low	48.6	Very low	81 Å²	81	76.4 Å²	76.4	57%	0.566	42%	0.423	S	S	*	.	H	α-helix	trans	-62.8	-21.7	-177.8	48.6	0	0	0	0	114	S643 S644	S643-S646 PolarHBondContact O-OG 3.1Å; S644-S646 VanDerWaalsContact C-N 3.34Å; S644-S646 PolarHBondContact O-N 3.4Å
647	V	36.4	Very low	45.7	Very low	100 Å²	100	81 Å²	81	61%	0.606	45%	0.45	S	S	*	.	H	α-helix	trans	-93.8	-29.4	174	-175.6	0	0	0	0	111.4	S644 L645 T649 T650	S644-V647 PolarHBondContact O-N 3.18Å; L645-V647 PolarHBondContact O-N 3.09Å; L645-V647 VanDerWaalsContact O-N 3.14Å; V647-T649 VanDerWaalsContact C-N 3.33Å; V647-T649 PolarHBondContact O-N 3.27Å; V647-T650 PolarHBondContact O-N 3.25Å; V647-T650 PolarHBondContact O-OG1 2.9Å
648	T	33.9	Very low	42.9	Very low	46 Å²	46	86.6 Å²	86.6	28%	0.282	48%	0.483	S	S	.	.	H	α-helix	trans	-73	-22.1	-178.5	-46	0	0	0	0	112.6	S644 L645 T650 Q651 S652	S644-T648 PolarHBondContact O-N 3.27Å; S644-T648 PolarHBondContact O-OG1 3.32Å; L645-T648 PolarHBondContact O-N 3.48Å; T648-T650 PolarHBondContact O-N 2.91Å; T648-T650 VanDerWaalsContact O-N 3.16Å; T648-Q651 CarbonylContact O-C 3.56Å; T648-Q651 WeakPolarHBondContact O-CA 3.35Å; T648-Q651 PolarHBondContact O-N 3.47Å; T648-S652 PolarHBondContact O-N 3.03Å
649	T	39.1	Very low	40.3	Very low	59 Å²	59	93.3 Å²	93.3	36%	0.362	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-37	173.8	-37.5	0	0	0	0	112.2	L645 V647 Q651 S652 P969	L645-T649 PolarHBondContact O-N 3.01Å; L645-T649 PolarHBondContact O-OG1 3.14Å; V647-T649 VanDerWaalsContact C-N 3.33Å; V647-T649 PolarHBondContact O-N 3.27Å; T649-Q651 PolarHBondContact O-N 2.92Å; T649-S652 PolarHBondContact O-N 2.78Å; T649-P969 HydrophobicContact CG2-CB 4.16Å
650	T	33.2	Very low	38	Very low	81 Å²	81	99.2 Å²	99.2	50%	0.497	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-23.9	175.5	-7.5	0	0	0	0	113.8	V647 T648 R653	V647-T650 PolarHBondContact O-N 3.25Å; V647-T650 PolarHBondContact O-OG1 2.9Å; T648-T650 PolarHBondContact O-N 2.91Å; T648-T650 VanDerWaalsContact O-N 3.16Å; T650-R653 WeakPolarHBondContact O-CD 3.2Å; T650-R653 WeakPolarHBondContact O-CG 3.4Å
651	Q	31.3	Very low	36	Very low	148 Å²	148	100 Å²	100	69%	0.692	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-21	176.2	-67.3	-176.4	-11.5	0	0	113	T648 T649 R653 S654	T648-Q651 CarbonylContact O-C 3.56Å; T648-Q651 WeakPolarHBondContact O-CA 3.35Å; T648-Q651 PolarHBondContact O-N 3.47Å; T649-Q651 PolarHBondContact O-N 2.92Å; Q651-R653 PolarHBondContact O-N 2.82Å; Q651-S654 PolarHBondContact O-N 3.3Å; Q651-S654 PolarHBondContact O-OG 2.75Å
652	S	32.7	Very low	34.3	Very low	48 Å²	48	102.3 Å²	102.3	34%	0.336	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-62.7	-6.5	169.1	-66.1	0	0	0	0	114.1	T648 T649 S654 L655	T648-S652 PolarHBondContact O-N 3.03Å; T649-S652 PolarHBondContact O-N 2.78Å; S652-S654 PolarHBondContact O-N 2.89Å; S652-L655 PolarHBondContact O-N 3.4Å
653	R	31.5	Very low	32.9	Very low	176 Å²	176	107.3 Å²	107.3	66%	0.664	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-55.6	-16.7	171	-72.6	-177.4	170.3	179.8	-4.3	114.1	T650 Q651	T650-R653 WeakPolarHBondContact O-CD 3.2Å; T650-R653 WeakPolarHBondContact O-CG 3.4Å; Q651-R653 PolarHBondContact O-N 2.82Å
654	S	30.1	Very low	32.3	Very low	91 Å²	91	112.9 Å²	112.9	64%	0.636	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-85.5	-21.8	172.9	58.9	0	0	0	0	114.9	Q651 S652	Q651-S654 PolarHBondContact O-N 3.3Å; Q651-S654 PolarHBondContact O-OG 2.75Å; S652-S654 PolarHBondContact O-N 2.89Å
655	L	30.5	Very low	32.2	Very low	126 Å²	126	117.2 Å²	117.2	66%	0.66	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-22.4	-174.2	-73.3	169	0	0	0	113.7	S652 N657	S652-L655 PolarHBondContact O-N 3.4Å; L655-N657 PolarHBondContact O-N 3.02Å
656	N	28.5	Very low	31.7	Very low	123 Å²	123	123.4 Å²	123.4	66%	0.658	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	1.4	178	-72.2	9.8	0	0	0	114	V658	N656-V658 VanDerWaalsContact C-N 3.26Å; N656-V658 PolarHBondContact O-N 2.85Å
657	N	28.1	Very low	31.3	Very low	138 Å²	138	126.4 Å²	126.4	74%	0.738	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	7.2	175.7	-81.4	1.2	0	0	0	114	L655 H659	L655-N657 PolarHBondContact O-N 3.02Å; N657-H659 VanDerWaalsContact C-N 3.27Å; N657-H659 PolarHBondContact O-N 3.03Å
658	V	28.5	Very low	31.1	Very low	124 Å²	124	129.9 Å²	129.9	75%	0.752	66%	0.663	S	S	*	*	S	Bend	trans	-74.4	86	166.8	-175.9	0	0	0	0	108.4	N656 Y660	N656-V658 VanDerWaalsContact C-N 3.26Å; N656-V658 PolarHBondContact O-N 2.85Å; V658-Y660 PolarHBondContact O-N 3.39Å; V658-Y660 VanDerWaalsContact O-N 3.12Å
659	H	27.6	Very low	30.9	Very low	144 Å²	144	132.9 Å²	132.9	67%	0.667	69%	0.686	S	S	*	*			trans	-69.2	104.3	-169.9	-169.6	39.7	0	0	0	111.8	N657 Q661	N657-H659 VanDerWaalsContact C-N 3.27Å; N657-H659 PolarHBondContact O-N 3.03Å; H659-Q661 VanDerWaalsContact CD2-CG 3.41Å; H659-Q661 WeakPolarHBondContact CD2-CG 3.41Å; H659-Q661 PolarHBondContact CD2-NE2 3.1Å; H659-Q661 VanDerWaalsContact CD2-NE2 3.32Å; H659-Q661 WeakPolarHBondContact NE2-CG 3.32Å; H659-Q661 PolarHBondContact NE2-NE2 2.82Å; H659-Q661 PolarHBondContact O-N 2.81Å
660	Y	25.4	Very low	30.7	Very low	186 Å²	186	133.1 Å²	133.1	73%	0.729	69%	0.694	S	S	*	*			trans	-70.6	89	169.1	-119.8	-91	0	0	0	109.4	I259 V658 P662	I259-Y660 HydrophobicContact CD1-CE2 4.28Å; V658-Y660 PolarHBondContact O-N 3.39Å; V658-Y660 VanDerWaalsContact O-N 3.12Å; Y660-P662 WeakPolarHBondContact O-CD 3.27Å
661	Q	25.9	Very low	30.7	Very low	137 Å²	137	133.2 Å²	133.2	64%	0.64	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-84.1	119.8	163.4	-67.9	-158.6	-12.1	0	0	109.1	H659 N663	H659-Q661 VanDerWaalsContact CD2-CG 3.41Å; H659-Q661 WeakPolarHBondContact CD2-CG 3.41Å; H659-Q661 PolarHBondContact CD2-NE2 3.1Å; H659-Q661 VanDerWaalsContact CD2-NE2 3.32Å; H659-Q661 WeakPolarHBondContact NE2-CG 3.32Å; H659-Q661 PolarHBondContact NE2-NE2 2.82Å; H659-Q661 PolarHBondContact O-N 2.81Å; Q661-N663 PolarHBondContact O-N 2.93Å
662	P	31.4	Very low	30.6	Very low	115 Å²	115	129.7 Å²	129.7	75%	0.747	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-71.1	121.8	169.2	29.2	-31.6	0	0	0	108.7	Y660 K664	Y660-P662 WeakPolarHBondContact O-CD 3.27Å; P662-K664 PolarHBondContact O-N 3Å; P662-K664 VanDerWaalsContact O-N 3.09Å
663	N	28	Very low	30.3	Very low	156 Å²	156	138.7 Å²	138.7	83%	0.834	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-54.1	118	175.4	-83.7	-8.9	0	0	0	110.6	Q661	Q661-N663 PolarHBondContact O-N 2.93Å
664	K	33.2	Very low	30.3	Very low	204 Å²	204	138.4 Å²	138.4	89%	0.887	74%	0.735	S	S	*	*			trans	-115.1	126.5	151.6	-79.8	-168.7	172.7	-176.4	0	107.6	P662	P662-K664 PolarHBondContact O-N 3Å; P662-K664 VanDerWaalsContact O-N 3.09Å
665	D	35.1	Very low	30.2	Very low	133 Å²	133	139.6 Å²	139.6	71%	0.711	74%	0.738	S	S	*	*			trans	-69.5	154.9	-170.7	-71.3	-67.3	0	0	0	114.3
666	K	35.7	Very low	30.5	Very low	176 Å²	176	138.8 Å²	138.8	77%	0.765	74%	0.741	S	S	*	*			trans	75.6	115.9	150	-71.4	152.4	-171.2	177.6	0	119.3
667	N	31.9	Very low	30.5	Very low	143 Å²	143	141.3 Å²	141.3	77%	0.765	75%	0.748	S	S	*	*			trans	72.7	100.8	139.8	-50.7	-6.4	0	0	0	116.2
668	L	30.6	Very low	30.6	Very low	174 Å²	174	140 Å²	140	91%	0.911	75%	0.75	S	S	*	*				-159.6	164.2	75.2	-133.5	65.6	0	0	0	114.1
669	S	31	Very low	30.6	Very low	109 Å²	109	140.5 Å²	140.5	76%	0.762	75%	0.753	S	S	*	*			trans	-96.9	175	173.2	60.9	0	0	0	0	111.2
670	A	35.1	Very low	30.7	Very low	64 Å²	64	141.9 Å²	141.9	53%	0.529	77%	0.765	S	S	.	*			cis	-157.5	163.7	13.8	0	0	0	0	0	113.7
671	T	32.2	Very low	30.7	Very low	83 Å²	83	140.7 Å²	140.7	51%	0.509	77%	0.77	S	S	.	*			trans	16.6	144.1	150	60.1	0	0	0	0	122.4
672	G	29.5	Very low	31	Very low	74 Å²	74	141.7 Å²	141.7	76%	0.763	78%	0.779	S	S	*	*			cis	-179.1	-162	12	0	0	0	0	0	115.1
673	R	26.6	Very low	31.2	Very low	236 Å²	236	144.9 Å²	144.9	89%	0.891	78%	0.781	S	S	*	*			trans	-104.2	152.9	-173.8	-61.3	175.6	178.4	162.2	-2.9	113.2
674	I	31.9	Very low	31.4	Very low	171 Å²	171	146.9 Å²	146.9	88%	0.877	78%	0.783	S	S	*	*			trans	-137.2	147.2	148.7	-61.3	-175.7	0	0	0	109.5
675	T	28.5	Very low	31.5	Very low	116 Å²	116	140.1 Å²	140.1	71%	0.712	77%	0.771	S	S	*	*			trans	-160.1	165.2	179.1	50.2	0	0	0	0	107.5
676	P	35.8	Very low	31.5	Very low	109 Å²	109	139.8 Å²	139.8	71%	0.708	77%	0.769	S	S	*	*			cis	-134.6	-155.5	-6.3	32.9	-8.5	0	0	0	113
677	E	27.7	Very low	31.5	Very low	176 Å²	176	139 Å²	139	82%	0.822	77%	0.768	S	S	*	*			trans	81.5	159.2	152.5	-76.3	-173.5	163.6	0	0	122.5
678	S	31.6	Very low	31.6	Very low	111 Å²	111	137.5 Å²	137.5	78%	0.776	77%	0.769	S	S	*	*			trans	60.7	119	-165.3	66	0	0	0	0	114.6
679	T	27	Very low	31.7	Very low	133 Å²	133	134 Å²	134	82%	0.816	76%	0.759	S	S	*	*			cis	71.5	101.3	39.6	-50.7	0	0	0	0	113.6
680	L	29.7	Very low	31.8	Very low	174 Å²	174	135.7 Å²	135.7	91%	0.911	76%	0.757	S	S	*	*			trans	-169.3	162.6	140.8	-106.7	166.8	0	0	0	112.9
681	L	26.8	Very low	31.7	Very low	161 Å²	161	136.8 Å²	136.8	84%	0.843	76%	0.76	S	S	*	*			trans	-113.6	149.4	-171.8	-70.1	160.4	0	0	0	112.7
682	L	31.7	Very low	31.8	Very low	157 Å²	157	142.4 Å²	142.4	82%	0.822	77%	0.772	S	S	*	*			trans	-172.7	142.3	165.2	-91.7	-175.4	0	0	0	105.9
683	K	34.7	Very low	31.8	Very low	183 Å²	183	149 Å²	149	80%	0.796	77%	0.774	S	S	*	*			cis	-153.6	160.5	-0.1	-79.4	168.4	-167.8	174.9	0	106.2
684	K	33.9	Very low	32.2	Very low	198 Å²	198	144 Å²	144	86%	0.861	77%	0.765	S	S	*	*			cis	-167.5	150.1	-20.6	-167.1	-147.2	-172.2	-163.8	0	107.2
685	G	33.4	Very low	32.2	Very low	62 Å²	62	141.9 Å²	141.9	64%	0.639	76%	0.756	S	S	*	*			trans	92	143.3	165	0	0	0	0	0	116.4
686	D	37	Very low	32.6	Very low	125 Å²	125	142.8 Å²	142.8	67%	0.668	76%	0.756	S	S	*	*			cis	-155.6	153.8	-11.4	-119.7	-58.6	0	0	0	113.2
687	Q	35	Very low	32.6	Very low	159 Å²	159	143.7 Å²	143.7	74%	0.743	76%	0.755	S	S	*	*			trans	36.7	107.6	157.2	-71	159.5	67.6	0	0	119.9
688	S	33	Very low	32.9	Very low	112 Å²	112	142.4 Å²	142.4	78%	0.783	75%	0.752	S	S	*	*				117.6	154.5	84.3	67.7	0	0	0	0	110.9
689	S	32.7	Very low	32.7	Very low	101 Å²	101	143.4 Å²	143.4	71%	0.706	75%	0.749	S	S	*	*			cis	-163.3	170.5	-24	62	0	0	0	0	111.2
690	M	33.2	Very low	33	Very low	145 Å²	145	147.8 Å²	147.8	71%	0.714	75%	0.752	S	S	*	*			trans	60.3	110.3	160.6	-59.5	-89.6	86.4	0	0	118.2
691	S	33.4	Very low	33.1	Very low	87 Å²	87	144.7 Å²	144.7	61%	0.608	75%	0.745	S	S	*	*				74.7	153.2	73.3	95.5	0	0	0	0	114.8
692	R	33.9	Very low	33.4	Very low	200 Å²	200	140.3 Å²	140.3	76%	0.755	74%	0.738	S	S	*	*			cis	-154.3	132.9	16.9	-118.6	146.4	-169.7	-160.6	6.1	107.5
693	R	30.7	Very low	33.3	Very low	213 Å²	213	142 Å²	142	80%	0.804	74%	0.739	S	S	*	*				78.3	147	95	-85.8	-161.7	-175.6	173.3	-0.6	117.7
694	N	34.9	Very low	33.1	Very low	132 Å²	132	140.6 Å²	140.6	71%	0.706	74%	0.74	S	S	*	*			trans	75.9	146.2	154.8	-72.3	24.8	0	0	0	118.6
695	N	32.3	Very low	32.9	Very low	126 Å²	126	135.7 Å²	135.7	67%	0.674	73%	0.73	S	S	*	*			cis	-173.2	-175.4	-26.4	-115.4	18.2	0	0	0	108.6
696	N	36.1	Very low	32.7	Very low	135 Å²	135	139.5 Å²	139.5	72%	0.722	74%	0.736	S	S	*	*			trans	75.7	140.3	163.2	-63.1	13.4	0	0	0	116.2
697	D	35	Very low	32.4	Very low	127 Å²	127	140.6 Å²	140.6	68%	0.679	74%	0.737	S	S	*	*			cis	-165.5	177.2	-11.8	-126.6	-43.9	0	0	0	115.3
698	I	34	Very low	32.4	Very low	149 Å²	149	141.2 Å²	141.2	76%	0.764	74%	0.74	S	S	*	*			trans	77.8	121.7	155.4	-69.3	152.5	0	0	0	119.4
699	N	29.4	Very low	32.3	Very low	133 Å²	133	140.6 Å²	140.6	71%	0.711	74%	0.735	S	S	*	*			trans	-90.3	161.4	163.9	-57	-81.2	0	0	0	110.7
700	Y	32.5	Very low	32.2	Very low	224 Å²	224	141 Å²	141	88%	0.878	74%	0.737	S	S	*	*				176.2	-178.4	108.5	-105.5	-76.5	0	0	0	113.3
701	S	31.5	Very low	32.1	Very low	109 Å²	109	140.1 Å²	140.1	76%	0.762	74%	0.735	S	S	*	*			trans	-107	162.2	-162.7	56.5	0	0	0	0	114.7
702	G	32.8	Very low	32.1	Very low	69 Å²	69	146.4 Å²	146.4	71%	0.711	75%	0.745	S	S	*	*			trans	124.5	99.4	136.2	0	0	0	0	0	119.9
703	K	31.1	Very low	32	Very low	194 Å²	194	141.8 Å²	141.8	84%	0.843	74%	0.744	S	S	*	*			trans	57.8	128.8	143.1	-68.9	-178.4	177.6	177.2	0	122
704	L	29.3	Very low	31.9	Very low	152 Å²	152	136.3 Å²	136.3	80%	0.796	74%	0.738	S	S	*	*			trans	70.6	89.8	138.2	-65.5	166.8	0	0	0	120.9
705	S	30.1	Very low	31.6	Very low	96 Å²	96	137.2 Å²	137.2	67%	0.671	74%	0.742	S	S	*	*			trans	49.1	108.8	130.3	61.1	0	0	0	0	121.6
706	N	29.6	Very low	31.4	Very low	141 Å²	141	135.8 Å²	135.8	75%	0.754	74%	0.742	S	S	*	*				-170.5	140.4	110.8	-108.8	-32.4	0	0	0	115.5
707	Q	30.8	Very low	31	Very low	148 Å²	148	133.3 Å²	133.3	69%	0.692	73%	0.731	S	S	*	*			trans	57.9	157.3	149.6	-57.7	-174.2	13.8	0	0	122.3
708	H	34.8	Very low	30.6	Very low	173 Å²	173	132.6 Å²	132.6	80%	0.801	74%	0.735	S	S	*	*			trans	65.1	145.8	176.1	-52.5	-77.5	0	0	0	116.7
709	S	31.5	Very low	30.3	Very low	99 Å²	99	129.8 Å²	129.8	69%	0.692	72%	0.721	S	S	*	*			cis	-161.1	165.9	-21.5	57.1	0	0	0	0	110.2
710	C	29.8	Very low	30.3	Very low	108 Å²	108	128.6 Å²	128.6	73%	0.73	72%	0.723	S	S	*	*			trans	34.4	129.5	148.8	-67.8	0	0	0	0	120.2
711	N	31.2	Very low	30.2	Very low	128 Å²	128	123 Å²	123	68%	0.684	72%	0.717	S	S	*	*			cis	-163.2	166.1	19.4	-83.9	-48.6	0	0	0	107.2
712	R	32.4	Very low	30.1	Very low	218 Å²	218	122.6 Å²	122.6	82%	0.823	72%	0.72	S	S	*	*			cis	-166.1	151.4	-13.1	-103.4	169	-177.2	-164	-2.8	104
713	S	31.8	Very low	30.2	Very low	103 Å²	103	124.5 Å²	124.5	72%	0.72	72%	0.72	S	S	*	*			cis	-168.5	143.1	-2.9	37.4	0	0	0	0	107.2
714	S	28.6	Very low	30.2	Very low	99 Å²	99	123 Å²	123	69%	0.692	72%	0.721	S	S	*	*			cis	-171.2	143.4	1.6	41	0	0	0	0	112.6
715	I	28.4	Very low	30.3	Very low	151 Å²	151	124.9 Å²	124.9	77%	0.774	72%	0.722	S	S	*	*			trans	69.5	99.1	149.6	-61.9	159.6	0	0	0	116.2
716	S	28.4	Very low	30.5	Very low	96 Å²	96	125.2 Å²	125.2	67%	0.671	72%	0.722	S	S	*	*				54.5	120.2	74.8	72.4	0	0	0	0	114.8
717	V	27.6	Very low	30.5	Very low	82 Å²	82	125.3 Å²	125.3	50%	0.497	72%	0.722	S	S	.	*				70.5	112.5	55.2	179.9	0	0	0	0	113.8	K170	K170-V717 HydrophobicContact CD-CG2 4.33Å; K170-V717 VanDerWaalsContact NZ-CG2 3.26Å
718	C	26.5	Very low	30.5	Very low	113 Å²	113	126.5 Å²	126.5	76%	0.764	73%	0.729	S	S	*	*			trans	-176.2	172	137.3	-95.9	0	0	0	0	111.9
719	N	27.8	Very low	30.2	Very low	89 Å²	89	122.3 Å²	122.3	48%	0.476	72%	0.72	S	S	.	*			trans	-111.6	175.3	-173.5	-108.9	20.4	0	0	0	113.1	K170 S171	K170-N719 PolarHBondContact O-OD1 2.77Å; S171-N719 VanDerWaalsContact CB-OD1 3.26Å; S171-N719 WeakPolarHBondContact CB-OD1 3.29Å; S171-N719 PolarHBondContact O-ND2 3.04Å; S171-N719 PolarHBondContact OG-OD1 2.95Å
720	S	29.1	Very low	30.2	Very low	108 Å²	108	127.3 Å²	127.3	76%	0.755	73%	0.729	S	S	*	*			trans	109.7	127.5	146.8	76.1	0	0	0	0	121.7
721	S	30.8	Very low	30.2	Very low	107 Å²	107	125.6 Å²	125.6	75%	0.748	73%	0.729	S	S	*	*			trans	58.7	119.3	140.7	54.4	0	0	0	0	124.7
722	A	30.5	Very low	30.2	Very low	100 Å²	100	127 Å²	127	83%	0.826	74%	0.735	S	S	*	*				85.3	158.8	127.6	0	0	0	0	0	120
723	P	34.5	Very low	30.1	Very low	109 Å²	109	121.8 Å²	121.8	71%	0.708	73%	0.732	S	S	*	*			trans	-129.8	174.2	-147.4	39.2	-21.8	0	0	0	116.4
724	L	31.2	Very low	29.9	Very low	164 Å²	164	121.3 Å²	121.3	86%	0.859	73%	0.729	S	S	*	*			trans	160	133.5	131.1	-82.5	163.7	0	0	0	114.9
725	K	30.6	Very low	30	Very low	190 Å²	190	123.1 Å²	123.1	83%	0.826	73%	0.73	S	S	*	*			trans	-43.2	179.6	162.7	-67.9	171	176.9	174	0	117.2
726	P	35.6	Very low	30	Very low	104 Å²	104	123.4 Å²	123.4	68%	0.675	73%	0.733	S	S	*	*			cis	-144.5	-150.7	-40.1	40.5	-19.2	0	0	0	113.7
727	L	29.6	Very low	30.1	Very low	142 Å²	142	122.3 Å²	122.3	74%	0.743	74%	0.737	S	S	*	*			trans	79.6	116.7	164.2	-67.8	149.9	0	0	0	116.8
728	M	29.8	Very low	30.2	Very low	173 Å²	173	126.5 Å²	126.5	85%	0.852	76%	0.755	S	S	*	*				84.5	143.1	82.1	-88.5	-164.4	164.5	0	0	114.7
729	S	29.8	Very low	30.4	Very low	85 Å²	85	126.7 Å²	126.7	59%	0.594	76%	0.755	S	S	*	*			cis	-167.3	175.7	-4.9	63.2	0	0	0	0	113.7
730	K	31.3	Very low	30.8	Very low	204 Å²	204	128.2 Å²	128.2	89%	0.887	77%	0.77	S	S	*	*			trans	76.1	119.7	153.4	-70.6	172.8	178.2	178.7	0	123
731	G	29.9	Very low	30.9	Very low	72 Å²	72	129.1 Å²	129.1	74%	0.742	77%	0.773	S	S	*	*			trans	87.4	163.6	136.4	0	0	0	0	0	119.5
732	I	30.5	Very low	30.8	Very low	158 Å²	158	128.1 Å²	128.1	81%	0.81	77%	0.766	S	S	*	*			cis	-160.8	146.2	-14.4	-109.7	159.4	0	0	0	108.5
733	S	29.8	Very low	31	Very low	108 Å²	108	129.7 Å²	129.7	76%	0.755	77%	0.768	S	S	*	*			trans	63.6	167.1	164.9	78.7	0	0	0	0	119.1
734	S	27.7	Very low	30.6	Very low	93 Å²	93	128.8 Å²	128.8	65%	0.65	76%	0.764	S	S	*	*			cis	-169.1	179.2	-40.8	63.5	0	0	0	0	111.7
735	I	30.9	Very low	30.6	Very low	138 Å²	138	129.2 Å²	129.2	71%	0.708	77%	0.765	S	S	*	*			trans	79.4	104.5	152.9	-71.5	168	0	0	0	120
736	N	28.4	Very low	30.4	Very low	157 Å²	157	125.7 Å²	125.7	84%	0.84	76%	0.755	S	S	*	*			trans	60.1	134.6	130.5	-52.4	-8.8	0	0	0	123.9
737	G	30.8	Very low	29.9	Very low	73 Å²	73	127 Å²	127	75%	0.753	76%	0.756	S	S	*	*			trans	175	118.1	164.6	0	0	0	0	0	112.4
738	L	29.2	Very low	29.7	Very low	170 Å²	170	125.7 Å²	125.7	89%	0.89	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-74.1	157.3	-164.8	-84.3	74.7	0	0	0	116.2
739	P	31.8	Very low	29.6	Very low	116 Å²	116	123.9 Å²	123.9	75%	0.753	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-98.1	149.9	172.7	37.7	-33.3	0	0	0	114.5
740	P	34.7	Very low	29.4	Very low	121 Å²	121	126.8 Å²	126.8	79%	0.786	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-84.1	165.7	167.7	33.4	-32.9	0	0	0	113.4
741	P	32.6	Very low	29.2	Very low	128 Å²	128	122.7 Å²	122.7	83%	0.831	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-96.4	172.9	-152.9	37.2	-38	0	0	0	116.2
742	S	26.9	Very low	29.1	Very low	85 Å²	85	131.2 Å²	131.2	59%	0.594	75%	0.749	S	S	*	*			trans	-114.6	133.2	170.2	29.2	0	0	0	0	111.5
743	P	34.6	Very low	28.9	Very low	134 Å²	134	127.5 Å²	127.5	87%	0.87	74%	0.737	S	S	*	*			trans	-76.1	133.4	170.3	31.1	-32.6	0	0	0	110.3
744	S	27.4	Very low	28.8	Very low	89 Å²	89	131 Å²	131	62%	0.622	75%	0.746	S	S	*	*			trans	-113.1	125.6	172.6	60.2	0	0	0	0	110.8
745	I	30.8	Very low	28.7	Very low	173 Å²	173	131.1 Å²	131.1	89%	0.887	75%	0.747	S	S	*	*			trans	-117.5	148.8	164	-64	-177.8	0	0	0	108.6
746	N	25.9	Very low	28.5	Very low	116 Å²	116	129 Å²	129	62%	0.62	75%	0.751	S	S	*	*			trans	-117.1	147.8	-156.3	-123.7	-2.9	0	0	0	111.8
747	I	26.6	Very low	28.4	Very low	132 Å²	132	127.8 Å²	127.8	68%	0.677	75%	0.749	S	S	*	*			trans	73.2	155.7	141.9	-67.5	167.2	0	0	0	118.6
748	T	24.8	Very low	28.1	Very low	115 Å²	115	129 Å²	129	71%	0.706	75%	0.745	S	S	*	*			trans	69	120.6	169.7	34.7	0	0	0	0	121.1
749	H	26.5	Very low	28	Very low	134 Å²	134	126.2 Å²	126.2	62%	0.62	74%	0.735	S	S	*	*			trans	37.4	110.3	137.3	-68.3	-129.9	0	0	0	119.5	H1420	H749-H1420 AromaticContact CE1-CD2 3.4Å; H749-H1420 PolarHBondContact CE1-CD2 3.23Å; H749-H1420 VanDerWaalsContact CE1-CD2 3.4Å; H749-H1420 AromaticContact CE1-NE2 3.31Å; H749-H1420 PolarHBondContact CE1-NE2 2.65Å; H749-H1420 VanDerWaalsContact CE1-NE2 3.31Å; H749-H1420 AromaticContact ND1-CD2 3.77Å; H749-H1420 AromaticContact ND1-NE2 3.52Å
750	T	27.4	Very low	27.6	Very low	146 Å²	146	128.9 Å²	128.9	90%	0.896	74%	0.735	S	S	*	*			trans	-162.8	155.1	131.6	8	0	0	0	0	112.3
751	K	25.2	Very low	27.3	Very low	118 Å²	118	128.4 Å²	128.4	51%	0.513	73%	0.73	S	S	.	*			trans	-70.8	126	167.8	-64.9	173.4	174.9	-179.3	0	109
752	R	27.9	Very low	26.9	Very low	251 Å²	251	127.9 Å²	127.9	95%	0.947	72%	0.724	S	S	*	*			trans	-96.8	98.7	159.4	-104.6	-179.2	173.6	157.6	0.9	110.1
753	S	26.6	Very low	26.9	Very low	80 Å²	80	133.1 Å²	133.1	56%	0.559	74%	0.737	S	S	*	*			trans	-57.4	152.5	154.9	42.1	0	0	0	0	109.7	S755	S753-S755 PolarHBondContact O-N 3.4Å
754	L	27.3	Very low	26.5	Very low	182 Å²	182	131.9 Å²	131.9	95%	0.953	73%	0.73	S	S	*	*			trans	-76.9	79.8	159.4	-72.2	171.1	0	0	0	107.5
755	S	27	Very low	26.4	Very low	96 Å²	96	137 Å²	137	67%	0.671	74%	0.741	S	S	*	*			trans	-55.4	139.8	168	52.2	0	0	0	0	109.8	S753 V757	S753-S755 PolarHBondContact O-N 3.4Å; S755-V757 PolarHBondContact O-N 3.44Å
756	A	26.8	Very low	26.3	Very low	94 Å²	94	134.9 Å²	134.9	78%	0.777	74%	0.737	S	S	*	*			trans	-52	134.6	-178.3	0	0	0	0	0	111.9	S758	A756-S758 PolarHBondContact O-N 2.79Å
757	V	25.5	Very low	26.5	Very low	131 Å²	131	136.7 Å²	136.7	79%	0.794	75%	0.746	S	S	*	*			trans	-69.7	98.1	167.2	179.1	0	0	0	0	106.8	S755 V759	S755-V757 PolarHBondContact O-N 3.44Å; V757-V759 VanDerWaalsContact C-N 3.28Å; V757-V759 HydrophobicContact CG1-CG2 4.07Å; V757-V759 PolarHBondContact O-N 2.87Å
758	S	25	Very low	26.4	Very low	97 Å²	97	138.5 Å²	138.5	68%	0.678	76%	0.757	S	S	*	*			trans	-71.1	88.1	174.4	-173.3	0	0	0	0	109	A756 K760	A756-S758 PolarHBondContact O-N 2.79Å; S758-K760 VanDerWaalsContact C-N 3.25Å; S758-K760 PolarHBondContact O-N 3.15Å
759	V	26.7	Very low	26.5	Very low	112 Å²	112	137.9 Å²	137.9	68%	0.679	76%	0.758	S	S	*	*			trans	-69.9	89.4	165.9	-176	0	0	0	0	107	V757 T761	V757-V759 VanDerWaalsContact C-N 3.28Å; V757-V759 HydrophobicContact CG1-CG2 4.07Å; V757-V759 PolarHBondContact O-N 2.87Å; V759-T761 VanDerWaalsContact C-N 3.33Å; V759-T761 HydrophobicContact CG1-CG2 4.29Å; V759-T761 PolarHBondContact O-N 3.32Å
760	K	23.9	Very low	26.7	Very low	173 Å²	173	138.7 Å²	138.7	75%	0.752	77%	0.766	S	S	*	*			trans	-65.6	94	169.1	-81.4	-173	172.7	-177.2	0	108.9	S758 T762	S758-K760 VanDerWaalsContact C-N 3.25Å; S758-K760 PolarHBondContact O-N 3.15Å; K760-T762 VanDerWaalsContact C-N 3.26Å; K760-T762 PolarHBondContact O-N 3.42Å
761	T	27	Very low	26.6	Very low	110 Å²	110	138.5 Å²	138.5	68%	0.675	76%	0.758	S	S	*	*			trans	-70.7	84.4	165.2	44.3	0	0	0	0	109.1	V759 F763	V759-T761 VanDerWaalsContact C-N 3.33Å; V759-T761 HydrophobicContact CG1-CG2 4.29Å; V759-T761 PolarHBondContact O-N 3.32Å; T761-F763 VanDerWaalsContact C-N 3.34Å; T761-F763 PolarHBondContact O-N 2.98Å
762	T	25.6	Very low	26.6	Very low	117 Å²	117	138.8 Å²	138.8	72%	0.718	77%	0.766	S	S	*	*			trans	-67	89.5	174.7	40.7	0	0	0	0	110.6	K760 C764	K760-T762 VanDerWaalsContact C-N 3.26Å; K760-T762 PolarHBondContact O-N 3.42Å; T762-C764 PolarHBondContact O-N 3.24Å
763	F	25.8	Very low	26.6	Very low	195 Å²	195	133.4 Å²	133.4	86%	0.855	76%	0.756	S	S	*	*			trans	-68.6	92.5	165.1	-99.9	-87.9	0	0	0	109.7	T761 K765	T761-F763 VanDerWaalsContact C-N 3.34Å; T761-F763 PolarHBondContact O-N 2.98Å; F763-K765 PolarHBondContact O-N 3.05Å
764	C	26.6	Very low	26.7	Very low	108 Å²	108	134.8 Å²	134.8	73%	0.73	77%	0.765	S	S	*	*			trans	-66.1	117.2	164.2	-71	0	0	0	0	109	T762	T762-C764 PolarHBondContact O-N 3.24Å
765	K	25.1	Very low	26.6	Very low	197 Å²	197	134 Å²	134	86%	0.857	76%	0.762	S	S	*	*			trans	-80	125.9	162.8	-67.8	-178.9	177.5	-177.9	0	108.2	F763	F763-K765 PolarHBondContact O-N 3.05Å
766	T	29.6	Very low	26.5	Very low	129 Å²	129	134 Å²	134	79%	0.791	76%	0.763	S	S	*	*			trans	-123.5	121.7	163.8	46.1	0	0	0	0	107.8
767	N	28.6	Very low	26.5	Very low	153 Å²	153	136 Å²	136	82%	0.818	76%	0.76	S	S	*	*			trans	-76.1	159.3	177.8	-69.9	-16.6	0	0	0	110.6
768	N	25.7	Very low	26.6	Very low	170 Å²	170	136.1 Å²	136.1	91%	0.909	76%	0.756	S	S	*	*			trans	-69.9	127.4	171.4	-66.4	-15.7	0	0	0	111
769	S	27.5	Very low	26.8	Very low	103 Å²	103	138.7 Å²	138.7	72%	0.72	76%	0.762	S	S	*	*			trans	-158.3	140.7	149.7	51.7	0	0	0	0	112
770	L	29	Very low	26.8	Very low	150 Å²	150	140.9 Å²	140.9	79%	0.785	77%	0.77	S	S	*	*			trans	61.6	93.4	152.2	-60.2	169	0	0	0	120.2
771	L	26.6	Very low	27.1	Very low	142 Å²	142	137.9 Å²	137.9	74%	0.743	77%	0.771	S	S	*	*				42.7	134.7	123.7	-75.8	98.2	0	0	0	122.9
772	N	25.7	Very low	27	Very low	124 Å²	124	140.8 Å²	140.8	66%	0.663	78%	0.783	S	S	*	*			trans	79.5	112.7	135.2	-68.6	6.3	0	0	0	123.1
773	N	26.2	Very low	27	Very low	139 Å²	139	146.1 Å²	146.1	74%	0.743	79%	0.79	S	S	*	*				84.9	150.6	126.2	-70.8	-5.2	0	0	0	122.6
774	S	29.2	Very low	27.1	Very low	109 Å²	109	143.4 Å²	143.4	76%	0.762	78%	0.782	S	S	*	*			trans	65.9	92.8	159.2	26.8	0	0	0	0	118.5
775	N	25.2	Very low	27	Very low	164 Å²	164	147.9 Å²	147.9	88%	0.877	79%	0.79	S	S	*	*			trans	2.3	128.2	132.1	-57.2	-20.2	0	0	0	116.9
776	S	25.9	Very low	27.1	Very low	98 Å²	98	146.7 Å²	146.7	69%	0.685	79%	0.785	S	S	*	*				165.5	130.1	101.8	-169.4	0	0	0	0	113.8
777	N	26.3	Very low	27	Very low	136 Å²	136	145.8 Å²	145.8	73%	0.727	78%	0.775	S	S	*	*			trans	62.9	144.6	150.8	-69.3	-15.2	0	0	0	123.3
778	N	26.9	Very low	27	Very low	133 Å²	133	143.9 Å²	143.9	71%	0.711	77%	0.771	S	S	*	*			trans	60.5	103.2	153.7	-58.3	-15.9	0	0	0	119.2
779	N	30.5	Very low	27.2	Very low	151 Å²	151	140.5 Å²	140.5	81%	0.807	76%	0.76	S	S	*	*				-171.9	166	86.2	-99.5	-61.3	0	0	0	114.1
780	N	26.5	Very low	27.2	Very low	157 Å²	157	141.4 Å²	141.4	84%	0.84	76%	0.755	S	S	*	*			trans	-62.3	140.1	179	-73.3	-55.5	0	0	0	112.4
781	S	28.8	Very low	27.4	Very low	111 Å²	111	137.1 Å²	137.1	78%	0.776	74%	0.736	S	S	*	*			trans	-153.4	125.2	168.1	-81.1	0	0	0	0	111.1	R783	S781-R783 PolarHBondContact O-N 3.03Å
782	N	25.8	Very low	27.7	Very low	171 Å²	171	135 Å²	135	91%	0.914	73%	0.725	S	S	*	*			trans	-67.5	100.6	-171.9	-67.4	-50.8	0	0	0	112.1	I784	N782-I784 PolarHBondContact O-N 3.38Å
783	R	26.6	Very low	28.3	Very low	229 Å²	229	130.4 Å²	130.4	86%	0.864	70%	0.701	S	S	*	*			trans	-84.2	107.8	165.1	-80.6	-172.4	172.7	173.1	-0.3	110.2	S781 F785	S781-R783 PolarHBondContact O-N 3.03Å; R783-F785 PolarHBondContact O-N 3.49Å
784	I	26.7	Very low	28.6	Very low	137 Å²	137	125.6 Å²	125.6	70%	0.703	68%	0.676	S	S	*	*			trans	-64.9	112.3	167.3	-62.4	170	0	0	0	107.4	N782 F786	N782-I784 PolarHBondContact O-N 3.38Å; I784-F786 HydrophobicContact CG2-CD2 4.05Å; I784-F786 HydrophobicContact CG2-CE2 3.91Å; I784-F786 PolarHBondContact O-N 2.93Å; I784-F786 VanDerWaalsContact O-N 3.1Å
785	F	25.4	Very low	28.8	Very low	203 Å²	203	121 Å²	121	89%	0.89	64%	0.643	S	S	*	*			trans	-66.7	106.7	169.4	-88.8	-99.1	0	0	0	109	R783	R783-F785 PolarHBondContact O-N 3.49Å
786	F	26.8	Very low	29.3	Very low	171 Å²	171	121.9 Å²	121.9	75%	0.75	63%	0.634	S	S	*	*			trans	-80	122.5	159.2	-85.1	-93	0	0	0	108.2	I784 P788	I784-F786 HydrophobicContact CG2-CD2 4.05Å; I784-F786 HydrophobicContact CG2-CE2 3.91Å; I784-F786 PolarHBondContact O-N 2.93Å; I784-F786 VanDerWaalsContact O-N 3.1Å; F786-P788 WeakPolarHBondContact O-CD 3.17Å
787	D	26.9	Very low	30	Very low	111 Å²	111	119.7 Å²	119.7	59%	0.594	61%	0.614	S	S	*	*			trans	-65.8	117.7	177.9	-170.2	-16.5	0	0	0	109.9	C789	D787-C789 PolarHBondContact O-N 2.98Å; D787-C789 WeakPolarHBondContact OD1-CB 3.21Å; D787-C789 PolarHBondContact OD1-N 3.34Å; D787-C789 VanDerWaalsContact OD1-N 3.16Å
788	P	28.4	Very low	31	Very low	113 Å²	113	116 Å²	116	73%	0.734	59%	0.59	S	S	*	*	S	Bend	trans	-67.2	-14.8	-178.3	-20.7	33.9	0	0	0	113.9	F786 I790	F786-P788 WeakPolarHBondContact O-CD 3.17Å; P788-I790 PolarHBondContact O-N 3.27Å
789	C	31	Very low	31.6	Very low	99 Å²	99	112.6 Å²	112.6	67%	0.669	57%	0.572	S	S	*	*			trans	-75.7	50.2	-176.3	-65.8	0	0	0	0	113.7	D787 P791	D787-C789 PolarHBondContact O-N 2.98Å; D787-C789 WeakPolarHBondContact OD1-CB 3.21Å; D787-C789 PolarHBondContact OD1-N 3.34Å; D787-C789 VanDerWaalsContact OD1-N 3.16Å; C789-P791 WeakPolarHBondContact O-CD 3.44Å
790	I	27.8	Very low	32	Very low	121 Å²	121	111.4 Å²	111.4	62%	0.621	57%	0.565	S	S	*	*			trans	-111.4	91.6	168.9	-53.6	178.9	0	0	0	109.2	P788	P788-I790 PolarHBondContact O-N 3.27Å
791	P	31.8	Very low	33.2	Very low	60 Å²	60	106.2 Å²	106.2	39%	0.39	54%	0.541	S	S	.	.			trans	-59.2	142.8	164.6	-21.4	34.4	0	0	0	110.5	C789 T793	C789-P791 WeakPolarHBondContact O-CD 3.44Å; P791-T793 HydrophobicContact CB-CG2 3.37Å; P791-T793 PolarHBondContact O-N 3.49Å; P791-T793 PolarHBondContact O-OG1 2.89Å; P791-T793 VanDerWaalsContact O-OG1 3.04Å
792	I	33.1	Very low	34.9	Very low	98 Å²	98	101.3 Å²	101.3	50%	0.503	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	72.6	176.7	-50.2	178.4	0	0	0	108.7	L797 L1009	I792-L797 HydrophobicContact CG2-CB 3.93Å; I792-L797 HydrophobicContact CG2-CD1 4.34Å; I792-L1009 HydrophobicContact CD1-CD1 4.49Å
793	T	38.1	Very low	36.9	Very low	27 Å²	27	95.7 Å²	95.7	17%	0.166	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.5	-23.8	-159.3	50.5	0	0	0	0	114.7	E343 R579 P791 W798	E343-T793 PolarHBondContact OE1-OG1 2.75Å; E343-T793 VanDerWaalsContact OE2-CB 3.26Å; E343-T793 WeakPolarHBondContact OE2-CB 3.1Å; E343-T793 VanDerWaalsContact OE2-CG2 3.24Å; E343-T793 WeakPolarHBondContact OE2-CG2 3.27Å; E343-T793 PolarHBondContact OE2-OG1 2.7Å; R579-T793 CarbonylContact O-C 3.57Å; P791-T793 HydrophobicContact CB-CG2 3.37Å; P791-T793 PolarHBondContact O-N 3.49Å; P791-T793 PolarHBondContact O-OG1 2.89Å; P791-T793 VanDerWaalsContact O-OG1 3.04Å; T793-W798 PolarHBondContact O-NE1 2.77Å
794	D	32.2	Very low	39.1	Very low	38 Å²	38	88.3 Å²	88.3	20%	0.203	47%	0.468	C	S	.	.	S	Bend	trans	-52.6	125.6	165.2	-178.5	-20.1	0	0	0	109.4	R579 R796 L797 W798	R579-D794 WeakPolarHBondContact O-CA 3.23Å; D794-R796 PolarHBondContact O-N 3.06Å; D794-R796 VanDerWaalsContact OD1-CB 3.26Å; D794-R796 WeakPolarHBondContact OD1-CB 3.44Å; D794-R796 VanDerWaalsContact OD1-CG 3.31Å; D794-R796 WeakPolarHBondContact OD1-CG 3.46Å; D794-R796 IonicContact OD1-CZ 2.88Å; D794-R796 PolarHBondContact OD1-N 3.27Å; D794-R796 IonicContact OD1-NE 2.79Å; D794-R796 PolarHBondContact OD1-NE 3.19Å; D794-R796 IonicContact OD1-NH2 2.71Å; D794-R796 IonicContact OD2-CZ 3.4Å; D794-R796 IonicContact OD2-NE 3.65Å; D794-R796 PolarHBondContact OD2-NE 3.36Å; D794-R796 IonicContact OD2-NH2 2.67Å; D794-R796 PolarHBondContact OD2-NH2 2.92Å; D794-L797 HydrophobicContact CB-CB 4.41Å; D794-L797 HydrophobicContact CB-CD1 4.05Å; D794-L797 HydrophobicContact CB-CG 4.04Å; D794-L797 WeakPolarHBondContact O-CA 3.48Å; D794-L797 VanDerWaalsContact O-CB 3.31Å; D794-L797 WeakPolarHBondContact O-CB 3.41Å; D794-L797 PolarHBondContact O-N 3.36Å; D794-W798 PolarHBondContact O-N 3.05Å
795	P	33.6	Very low	41.5	Very low	13 Å²	13	86.9 Å²	86.9	8%	0.084	46%	0.458	C	S	.	.	H	α-helix	trans	-57.6	-22.1	-179.8	21.8	-33.3	0	0	0	113.3	D575 C578 R579 L797 W798	D575-P795 HydrophobicContact CB-CB 4.21Å; D575-P795 HydrophobicContact CB-CG 4.44Å; D575-P795 WeakPolarHBondContact O-CG 3.42Å; C578-P795 WeakPolarHBondContact O-CD 3.34Å; C578-P795 WeakPolarHBondContact O-CG 3.38Å; R579-P795 VanDerWaalsContact O-CD 3.26Å; R579-P795 WeakPolarHBondContact O-CD 3.32Å; P795-L797 VanDerWaalsContact C-N 3.26Å; P795-L797 PolarHBondContact O-N 3.27Å; P795-W798 WeakPolarHBondContact O-CB 3.49Å; P795-W798 PolarHBondContact O-N 3.04Å; P795-W798 VanDerWaalsContact O-N 3.1Å
796	R	37.2	Very low	43.8	Very low	183 Å²	183	78.9 Å²	78.9	69%	0.691	42%	0.424	S	S	*	.	H	α-helix	trans	-71.9	-20.3	173	-55.7	173.7	-66	164	0.5	113.1	D794	D794-R796 PolarHBondContact O-N 3.06Å; D794-R796 VanDerWaalsContact OD1-CB 3.26Å; D794-R796 WeakPolarHBondContact OD1-CB 3.44Å; D794-R796 VanDerWaalsContact OD1-CG 3.31Å; D794-R796 WeakPolarHBondContact OD1-CG 3.46Å; D794-R796 IonicContact OD1-CZ 2.88Å; D794-R796 PolarHBondContact OD1-N 3.27Å; D794-R796 IonicContact OD1-NE 2.79Å; D794-R796 PolarHBondContact OD1-NE 3.19Å; D794-R796 IonicContact OD1-NH2 2.71Å; D794-R796 IonicContact OD2-CZ 3.4Å; D794-R796 IonicContact OD2-NE 3.65Å; D794-R796 PolarHBondContact OD2-NE 3.36Å; D794-R796 IonicContact OD2-NH2 2.67Å; D794-R796 PolarHBondContact OD2-NH2 2.92Å
797	L	39.8	Very low	46.1	Very low	51 Å²	51	72.5 Å²	72.5	27%	0.267	40%	0.397	S	S	.	.	H	α-helix	trans	-86.7	-12.9	168.1	-63	175.7	0	0	0	112.4	I792 D794 P795 I800 S801	I792-L797 HydrophobicContact CG2-CB 3.93Å; I792-L797 HydrophobicContact CG2-CD1 4.34Å; D794-L797 HydrophobicContact CB-CB 4.41Å; D794-L797 HydrophobicContact CB-CD1 4.05Å; D794-L797 HydrophobicContact CB-CG 4.04Å; D794-L797 WeakPolarHBondContact O-CA 3.48Å; D794-L797 VanDerWaalsContact O-CB 3.31Å; D794-L797 WeakPolarHBondContact O-CB 3.41Å; D794-L797 PolarHBondContact O-N 3.36Å; P795-L797 VanDerWaalsContact C-N 3.26Å; P795-L797 PolarHBondContact O-N 3.27Å; L797-I800 HydrophobicContact CD2-CD1 4.22Å; L797-I800 CarbonylContact O-C 3.6Å; L797-I800 VanDerWaalsContact O-CA 3.32Å; L797-I800 WeakPolarHBondContact O-CA 3.25Å; L797-I800 WeakPolarHBondContact O-CB 3.13Å; L797-I800 PolarHBondContact O-N 3.04Å; L797-S801 PolarHBondContact O-N 3.11Å
798	W	46.5	Very low	48.5	Very low	58 Å²	58	74.5 Å²	74.5	22%	0.22	40%	0.396	C	S	.	.	H	α-helix	trans	-71.5	-35.1	178.5	-62.7	19	0	0	0	110.9	R581 T793 D794 P795 I800 S801 L802	R581-W798 HydrophobicContact CB-CH2 4.45Å; R581-W798 HydrophobicContact CG-CH2 4.04Å; R581-W798 HydrophobicContact CG-CZ3 4.41Å; T793-W798 PolarHBondContact O-NE1 2.77Å; D794-W798 PolarHBondContact O-N 3.05Å; P795-W798 WeakPolarHBondContact O-CB 3.49Å; P795-W798 PolarHBondContact O-N 3.04Å; P795-W798 VanDerWaalsContact O-N 3.1Å; W798-I800 PolarHBondContact O-N 2.96Å; W798-I800 VanDerWaalsContact O-N 3.07Å; W798-S801 WeakPolarHBondContact CA-OG 3.11Å; W798-S801 PolarHBondContact O-N 2.88Å; W798-S801 PolarHBondContact O-OG 3.07Å; W798-L802 PolarHBondContact O-N 3.45Å
799	D	39.7	Very low	51	Low	62 Å²	62	70.3 Å²	70.3	33%	0.332	37%	0.366	S	S	.	.	H	α-helix	trans	-66.1	0	165.5	-86	-1.5	0	0	0	113.3	K807 P924	D799-K807 WeakPolarHBondContact O-CE 3.41Å; D799-K807 PolarHBondContact O-NZ 3.4Å; D799-P924 WeakPolarHBondContact OD1-CD 3.49Å
800	I	40.4	Very low	53.3	Low	126 Å²	126	65.6 Å²	65.6	65%	0.646	33%	0.334	S	S	*	.	H	α-helix	trans	-121.3	-27.8	178.6	-57.9	176.9	0	0	0	111.7	L797 W798	L797-I800 HydrophobicContact CD2-CD1 4.22Å; L797-I800 CarbonylContact O-C 3.6Å; L797-I800 VanDerWaalsContact O-CA 3.32Å; L797-I800 WeakPolarHBondContact O-CA 3.25Å; L797-I800 WeakPolarHBondContact O-CB 3.13Å; L797-I800 PolarHBondContact O-N 3.04Å; W798-I800 PolarHBondContact O-N 2.96Å; W798-I800 VanDerWaalsContact O-N 3.07Å
801	S	51.8	Low	55.7	Low	48 Å²	48	63.6 Å²	63.6	34%	0.336	32%	0.324	S	S	.	.	H	α-helix	trans	-74.4	-46.3	176.3	63.8	0	0	0	0	112.5	L797 W798 S803 D868	L797-S801 PolarHBondContact O-N 3.11Å; W798-S801 WeakPolarHBondContact CA-OG 3.11Å; W798-S801 PolarHBondContact O-N 2.88Å; W798-S801 PolarHBondContact O-OG 3.07Å; S801-S803 PolarHBondContact O-N 2.83Å; S801-D868 PolarHBondContact OG-OD2 3.12Å
802	L	63.4	Low	57.9	Low	8 Å²	8	66 Å²	66	4%	0.042	33%	0.329	C	S	.	.	S	Bend	trans	-61.2	126.9	174.5	-67.5	175.4	0	0	0	108.7	W798 D806 K807 D868 P924	W798-L802 PolarHBondContact O-N 3.45Å; L802-D806 HydrophobicContact CB-CB 4.07Å; L802-D806 HydrophobicContact CD2-CB 3.96Å; L802-K807 HydrophobicContact CB-CG 4.04Å; L802-K807 PolarHBondContact O-NZ 2.9Å; L802-D868 HydrophobicContact CD2-CB 4.15Å; L802-P924 HydrophobicContact CD1-CG 3.97Å
803	S	68.8	Low	60.1	Low	54 Å²	54	61.6 Å²	61.6	38%	0.378	31%	0.306	S	S	.	.			trans	-64.8	169.4	177.9	74.2	0	0	0	0	111.2	S801 E805 D806 K807	S801-S803 PolarHBondContact O-N 2.83Å; S803-E805 PolarHBondContact O-N 3.37Å; S803-E805 PolarHBondContact OG-N 3.01Å; S803-D806 WeakPolarHBondContact CA-OD2 3.2Å; S803-D806 WeakPolarHBondContact CB-OD2 3.4Å; S803-D806 PolarHBondContact N-OD2 2.84Å; S803-D806 PolarHBondContact O-N 2.85Å; S803-D806 VanDerWaalsContact OG-CG 3.29Å; S803-D806 PolarHBondContact OG-N 3.45Å; S803-D806 PolarHBondContact OG-OD2 3.26Å; S803-K807 WeakPolarHBondContact O-CG 3.24Å; S803-K807 PolarHBondContact O-N 2.91Å; S803-K807 VanDerWaalsContact O-N 3.09Å
804	A	72.1	Confident	61.9	Low	73 Å²	73	61 Å²	61	60%	0.603	30%	0.303	S	S	*	.	H	α-helix	trans	-59.3	-25.6	171.9	0	0	0	0	0	112.2	R808	A804-R808 WeakPolarHBondContact O-CG 3.48Å; A804-R808 PolarHBondContact O-N 3.02Å
805	E	75.8	Confident	63.8	Low	107 Å²	107	62.4 Å²	62.4	50%	0.5	32%	0.315	S	S	.	.	H	α-helix	trans	-83.5	-42.8	178.7	-149.1	56.9	-127.7	0	0	112.4	S803 K807 R808 K809	S803-E805 PolarHBondContact O-N 3.37Å; S803-E805 PolarHBondContact OG-N 3.01Å; E805-K807 PolarHBondContact O-N 2.86Å; E805-R808 CarbonylContact O-C 3.56Å; E805-R808 WeakPolarHBondContact O-CA 3.26Å; E805-R808 WeakPolarHBondContact O-CB 3.27Å; E805-R808 PolarHBondContact O-N 3.35Å; E805-R808 WeakPolarHBondContact OE1-CD 3.31Å; E805-R808 IonicContact OE1-NH1 3.22Å; E805-R808 WeakPolarHBondContact OE2-CD 3.35Å; E805-R808 IonicContact OE2-CZ 3.4Å; E805-R808 IonicContact OE2-NE 2.64Å; E805-R808 IonicContact OE2-NH1 3.81Å; E805-R808 PolarHBondContact OE2-NH1 3.45Å; E805-K809 WeakPolarHBondContact O-CB 3.45Å; E805-K809 PolarHBondContact O-N 3.46Å
806	D	75.1	Confident	65.6	Low	35 Å²	35	64.3 Å²	64.3	19%	0.187	32%	0.324	C	S	.	.	H	α-helix	trans	-56.8	-41.5	172.2	-57.1	-66.1	0	0	0	110.4	L802 S803 R808 K809 H810 S866	L802-D806 HydrophobicContact CB-CB 4.07Å; L802-D806 HydrophobicContact CD2-CB 3.96Å; S803-D806 WeakPolarHBondContact CA-OD2 3.2Å; S803-D806 WeakPolarHBondContact CB-OD2 3.4Å; S803-D806 PolarHBondContact N-OD2 2.84Å; S803-D806 PolarHBondContact O-N 2.85Å; S803-D806 VanDerWaalsContact OG-CG 3.29Å; S803-D806 PolarHBondContact OG-N 3.45Å; S803-D806 PolarHBondContact OG-OD2 3.26Å; D806-R808 VanDerWaalsContact C-N 3.34Å; D806-R808 PolarHBondContact O-N 2.93Å; D806-K809 WeakPolarHBondContact O-CB 3.28Å; D806-K809 PolarHBondContact O-N 3.35Å; D806-H810 WeakPolarHBondContact O-CB 3.37Å; D806-H810 PolarHBondContact O-CD2 3.47Å; D806-H810 PolarHBondContact O-N 3.34Å; D806-S866 WeakPolarHBondContact OD1-CB 3.5Å
807	K	73.8	Confident	66.9	Low	38 Å²	38	55.9 Å²	55.9	17%	0.165	29%	0.293	C	S	.	.	H	α-helix	trans	-62.9	-36.8	174.5	-67.4	-173.4	179.3	91.7	0	112.8	D799 L802 S803 E805 L811 P924	D799-K807 WeakPolarHBondContact O-CE 3.41Å; D799-K807 PolarHBondContact O-NZ 3.4Å; L802-K807 HydrophobicContact CB-CG 4.04Å; L802-K807 PolarHBondContact O-NZ 2.9Å; S803-K807 WeakPolarHBondContact O-CG 3.24Å; S803-K807 PolarHBondContact O-N 2.91Å; S803-K807 VanDerWaalsContact O-N 3.09Å; E805-K807 PolarHBondContact O-N 2.86Å; K807-L811 WeakPolarHBondContact O-CB 3.43Å; K807-L811 WeakPolarHBondContact O-CD1 3.26Å; K807-L811 WeakPolarHBondContact O-CG 3.45Å; K807-L811 PolarHBondContact O-N 3.48Å; K807-L811 VanDerWaalsContact O-N 3.14Å; K807-P924 HydrophobicContact CB-CG 4.47Å; K807-P924 HydrophobicContact CD-CG 4.45Å; K807-P924 HydrophobicContact CG-CG 3.88Å
808	R	77.6	Confident	68	Low	153 Å²	153	56.1 Å²	56.1	58%	0.577	30%	0.296	S	S	*	.	H	α-helix	trans	-66.4	-48.8	173.1	-75.3	163.9	170.3	169.4	-6	110.7	A804 E805 D806 H810 L811 F812	A804-R808 WeakPolarHBondContact O-CG 3.48Å; A804-R808 PolarHBondContact O-N 3.02Å; E805-R808 CarbonylContact O-C 3.56Å; E805-R808 WeakPolarHBondContact O-CA 3.26Å; E805-R808 WeakPolarHBondContact O-CB 3.27Å; E805-R808 PolarHBondContact O-N 3.35Å; E805-R808 WeakPolarHBondContact OE1-CD 3.31Å; E805-R808 IonicContact OE1-NH1 3.22Å; E805-R808 WeakPolarHBondContact OE2-CD 3.35Å; E805-R808 IonicContact OE2-CZ 3.4Å; E805-R808 IonicContact OE2-NE 2.64Å; E805-R808 IonicContact OE2-NH1 3.81Å; E805-R808 PolarHBondContact OE2-NH1 3.45Å; D806-R808 VanDerWaalsContact C-N 3.34Å; D806-R808 PolarHBondContact O-N 2.93Å; R808-H810 PolarHBondContact O-N 3.49Å; R808-L811 PolarHBondContact O-N 3.21Å; R808-F812 WeakPolarHBondContact O-CB 3.41Å; R808-F812 PolarHBondContact O-N 3.31Å
809	K	80.8	Confident	68.3	Low	24 Å²	24	57.6 Å²	57.6	10%	0.104	31%	0.308	C	S	.	.	H	α-helix	trans	-50.6	-54.1	174.2	-174.9	-162.3	173.6	-174.1	0	111.2	E805 D806 L811 F812 Y813 I861 E864 D869 Y928	E805-K809 WeakPolarHBondContact O-CB 3.45Å; E805-K809 PolarHBondContact O-N 3.46Å; D806-K809 WeakPolarHBondContact O-CB 3.28Å; D806-K809 PolarHBondContact O-N 3.35Å; K809-L811 PolarHBondContact O-N 3.45Å; K809-F812 PolarHBondContact O-N 3.49Å; K809-Y813 HydrophobicContact CD-CE2 4.45Å; K809-Y813 HydrophobicContact CG-CD2 3.8Å; K809-Y813 HydrophobicContact CG-CE2 3.6Å; K809-Y813 WeakPolarHBondContact O-CD2 3.23Å; K809-Y813 PolarHBondContact O-N 3.43Å; K809-I861 PolarHBondContact NZ-O 3.14Å; K809-E864 PolarHBondContact NZ-O 2.99Å; K809-D869 IonicContact NZ-OD2 2.9Å; K809-D869 PolarHBondContact NZ-OD2 3.06Å; K809-Y928 WeakPolarHBondContact CE-OH 3.41Å; K809-Y928 PolarHBondContact NZ-OH 3.31Å
810	H	79.9	Confident	68.6	Low	0 Å²	0	63 Å²	63	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-63.5	-42	-177.1	-67.4	-158.9	0	0	0	111.6	D806 R808 T814 D869 P924 Y928 Y929	D806-H810 WeakPolarHBondContact O-CB 3.37Å; D806-H810 PolarHBondContact O-CD2 3.47Å; D806-H810 PolarHBondContact O-N 3.34Å; R808-H810 PolarHBondContact O-N 3.49Å; H810-T814 VanDerWaalsContact O-CB 3.27Å; H810-T814 WeakPolarHBondContact O-CB 3.34Å; H810-T814 PolarHBondContact O-N 3.07Å; H810-T814 VanDerWaalsContact O-N 3.14Å; H810-T814 PolarHBondContact O-OG1 2.89Å; H810-D869 IonicContact CE1-OD1 2.63Å; H810-D869 IonicContact NE2-OD1 3.7Å; H810-D869 PolarHBondContact NE2-OD1 2.89Å; H810-P924 HydrophobicContact CB-CB 4.05Å; H810-Y928 HydrophobicContact CB-CD1 4.03Å; H810-Y928 HydrophobicContact CB-CD2 4.05Å; H810-Y928 HydrophobicContact CB-CE1 4.44Å; H810-Y928 HydrophobicContact CB-CE2 4.47Å; H810-Y928 HydrophobicContact CB-CG 3.81Å; H810-Y928 AromaticContact CD2-CD1 3.76Å; H810-Y928 AromaticContact CD2-CE1 3.34Å; H810-Y928 WeakPolarHBondContact CD2-CE1 3.29Å; H810-Y928 AromaticContact CD2-CZ 3.5Å; H810-Y928 AromaticContact CE1-CD1 3.63Å; H810-Y928 AromaticContact CE1-CE1 3.45Å; H810-Y928 VanDerWaalsContact CE1-CE1 3.45Å; H810-Y928 WeakPolarHBondContact CE1-CE1 3.13Å; H810-Y928 AromaticContact CG-CD1 3.44Å; H810-Y928 VanDerWaalsContact CG-CD1 3.44Å; H810-Y928 AromaticContact CG-CE1 3.56Å; H810-Y928 AromaticContact CG-CG 3.76Å; H810-Y928 AromaticContact CG-CZ 3.98Å; H810-Y928 AromaticContact ND1-CD1 3.34Å; H810-Y928 VanDerWaalsContact ND1-CD1 3.34Å; H810-Y928 WeakPolarHBondContact ND1-CD1 3.5Å; H810-Y928 AromaticContact ND1-CE1 3.62Å; H810-Y928 AromaticContact NE2-CD1 3.9Å; H810-Y928 AromaticContact NE2-CE1 3.3Å; H810-Y928 VanDerWaalsContact NE2-CE1 3.3Å; H810-Y928 WeakPolarHBondContact NE2-CE1 3.45Å; H810-Y928 AromaticContact NE2-CZ 3.81Å; H810-Y929 AromaticContact CE1-CZ 3.96Å
811	L	77.4	Confident	68.9	Low	79 Å²	79	61.4 Å²	61.4	41%	0.414	32%	0.319	S	S	.	.	H	α-helix	trans	-67	-39.1	175.7	-72.9	170.5	0	0	0	112.3	K807 R808 K809 S815	K807-L811 WeakPolarHBondContact O-CB 3.43Å; K807-L811 WeakPolarHBondContact O-CD1 3.26Å; K807-L811 WeakPolarHBondContact O-CG 3.45Å; K807-L811 PolarHBondContact O-N 3.48Å; K807-L811 VanDerWaalsContact O-N 3.14Å; R808-L811 PolarHBondContact O-N 3.21Å; K809-L811 PolarHBondContact O-N 3.45Å; L811-S815 WeakPolarHBondContact O-CB 3.31Å; L811-S815 PolarHBondContact O-N 2.98Å
812	F	79.4	Confident	68.8	Low	110 Å²	110	67 Å²	67	48%	0.482	34%	0.337	S	S	.	.	H	α-helix	trans	-64.1	-53.9	179	172.5	-106.9	0	0	0	112.2	R808 K809 T814 S815 L816	R808-F812 WeakPolarHBondContact O-CB 3.41Å; R808-F812 PolarHBondContact O-N 3.31Å; K809-F812 PolarHBondContact O-N 3.49Å; F812-T814 VanDerWaalsContact C-N 3.26Å; F812-T814 PolarHBondContact O-N 3.18Å; F812-S815 WeakPolarHBondContact O-CA 3.31Å; F812-S815 VanDerWaalsContact O-CB 3.29Å; F812-S815 WeakPolarHBondContact O-CB 3.26Å; F812-S815 PolarHBondContact O-N 3.06Å; F812-L816 HydrophobicContact CD1-CD1 4.2Å; F812-L816 HydrophobicContact CE1-CD1 3.65Å; F812-L816 HydrophobicContact CE1-CG 4.45Å; F812-L816 HydrophobicContact CE2-CD1 4.33Å; F812-L816 HydrophobicContact CE2-CD2 4.43Å; F812-L816 HydrophobicContact CE2-CG 4.35Å; F812-L816 HydrophobicContact CZ-CD1 3.72Å; F812-L816 HydrophobicContact CZ-CD2 4.39Å; F812-L816 HydrophobicContact CZ-CG 4.22Å; F812-L816 PolarHBondContact O-N 2.84Å
813	Y	77.7	Confident	68	Low	6 Å²	6	72.2 Å²	72.2	2%	0.024	37%	0.365	C	S	.	.	H	α-helix	trans	-66.3	-29.5	178.8	-69	-65.1	0	0	0	112.9	K809 L816 M817 I857 H860 I861 Y928	K809-Y813 HydrophobicContact CD-CE2 4.45Å; K809-Y813 HydrophobicContact CG-CD2 3.8Å; K809-Y813 HydrophobicContact CG-CE2 3.6Å; K809-Y813 WeakPolarHBondContact O-CD2 3.23Å; K809-Y813 PolarHBondContact O-N 3.43Å; Y813-L816 HydrophobicContact CD1-CD1 4.01Å; Y813-L816 HydrophobicContact CE1-CD1 4.45Å; Y813-M817 PolarHBondContact O-N 2.74Å; Y813-I857 WeakPolarHBondContact CE1-O 3.32Å; Y813-H860 WeakPolarHBondContact OH-CB 3.27Å; Y813-H860 PolarHBondContact OH-CD2 3.36Å; Y813-H860 PolarHBondContact OH-ND1 3.22Å; Y813-I861 HydrophobicContact CD1-CD1 3.66Å; Y813-I861 HydrophobicContact CD1-CG1 3.41Å; Y813-I861 VanDerWaalsContact CD1-CG1 3.41Å; Y813-I861 HydrophobicContact CD2-CD1 4.36Å; Y813-I861 HydrophobicContact CD2-CG1 3.71Å; Y813-I861 HydrophobicContact CE1-CD1 4.15Å; Y813-I861 HydrophobicContact CE1-CG1 3.43Å; Y813-I861 VanDerWaalsContact CE1-CG1 3.43Å; Y813-I861 HydrophobicContact CE2-CG1 3.73Å; Y813-I861 HydrophobicContact CG-CD1 3.79Å; Y813-I861 HydrophobicContact CG-CG1 3.56Å; Y813-Y928 HydrophobicContact CD2-CE2 4.26Å
814	T	76.6	Confident	66.9	Low	16 Å²	16	75.2 Å²	75.2	10%	0.098	37%	0.371	C	S	.	.	H	α-helix	trans	-64.5	-47.1	167	-61.9	0	0	0	0	111.1	H810 F812 L816 M817 T818 S925 Y927	H810-T814 VanDerWaalsContact O-CB 3.27Å; H810-T814 WeakPolarHBondContact O-CB 3.34Å; H810-T814 PolarHBondContact O-N 3.07Å; H810-T814 VanDerWaalsContact O-N 3.14Å; H810-T814 PolarHBondContact O-OG1 2.89Å; F812-T814 VanDerWaalsContact C-N 3.26Å; F812-T814 PolarHBondContact O-N 3.18Å; T814-L816 VanDerWaalsContact C-N 3.33Å; T814-L816 PolarHBondContact O-N 3.16Å; T814-M817 PolarHBondContact O-N 3.24Å; T814-M817 VanDerWaalsContact O-N 3.12Å; T814-T818 HydrophobicContact CG2-CG2 4.07Å; T814-T818 WeakPolarHBondContact O-CG2 3.47Å; T814-T818 PolarHBondContact O-N 3.04Å; T814-T818 PolarHBondContact O-OG1 3.02Å; T814-T818 VanDerWaalsContact O-OG1 3.1Å; T814-S925 WeakPolarHBondContact CB-OG 3.5Å; T814-S925 WeakPolarHBondContact CG2-OG 3.32Å; T814-S925 PolarHBondContact OG1-OG 3.05Å; T814-Y927 HydrophobicContact CG2-CD1 4.33Å
815	S	73.4	Confident	65.8	Low	66 Å²	66	72.8 Å²	72.8	46%	0.462	35%	0.35	S	S	.	.	H	α-helix	trans	-56.2	-46.8	-179.3	-162.7	0	0	0	0	111.5	L811 F812 M817 T818 D819	L811-S815 WeakPolarHBondContact O-CB 3.31Å; L811-S815 PolarHBondContact O-N 2.98Å; F812-S815 WeakPolarHBondContact O-CA 3.31Å; F812-S815 VanDerWaalsContact O-CB 3.29Å; F812-S815 WeakPolarHBondContact O-CB 3.26Å; F812-S815 PolarHBondContact O-N 3.06Å; S815-M817 VanDerWaalsContact C-N 3.29Å; S815-M817 PolarHBondContact O-N 2.68Å; S815-T818 VanDerWaalsContact CA-OG1 3.31Å; S815-T818 WeakPolarHBondContact CA-OG1 3.31Å; S815-T818 CarbonylContact O-C 3.55Å; S815-T818 PolarHBondContact O-N 2.99Å; S815-T818 PolarHBondContact O-OG1 3.03Å; S815-D819 PolarHBondContact O-N 3.01Å
816	L	69.8	Low	64.5	Low	54 Å²	54	71 Å²	71	28%	0.283	35%	0.346	S	S	.	.	H	α-helix	trans	-56.7	-38.7	177.1	-70.1	175.4	0	0	0	113.2	F812 Y813 T814 I857	F812-L816 HydrophobicContact CD1-CD1 4.2Å; F812-L816 HydrophobicContact CE1-CD1 3.65Å; F812-L816 HydrophobicContact CE1-CG 4.45Å; F812-L816 HydrophobicContact CE2-CD1 4.33Å; F812-L816 HydrophobicContact CE2-CD2 4.43Å; F812-L816 HydrophobicContact CE2-CG 4.35Å; F812-L816 HydrophobicContact CZ-CD1 3.72Å; F812-L816 HydrophobicContact CZ-CD2 4.39Å; F812-L816 HydrophobicContact CZ-CG 4.22Å; F812-L816 PolarHBondContact O-N 2.84Å; Y813-L816 HydrophobicContact CD1-CD1 4.01Å; Y813-L816 HydrophobicContact CE1-CD1 4.45Å; T814-L816 VanDerWaalsContact C-N 3.33Å; T814-L816 PolarHBondContact O-N 3.16Å; L816-I857 HydrophobicContact CD1-CG2 3.86Å
817	M	65.5	Low	63.4	Low	6 Å²	6	74 Å²	74	3%	0.03	36%	0.359	C	S	.	.	H	α-helix	trans	-75.7	-30.2	175.6	-71.6	-90.1	174.1	0	0	112.4	Y813 T814 S815 F829 L858 L903 Q907 Y927 I931	Y813-M817 PolarHBondContact O-N 2.74Å; T814-M817 PolarHBondContact O-N 3.24Å; T814-M817 VanDerWaalsContact O-N 3.12Å; S815-M817 VanDerWaalsContact C-N 3.29Å; S815-M817 PolarHBondContact O-N 2.68Å; M817-F829 HydrophobicContact CE-CE1 4.02Å; M817-F829 HydrophobicContact CE-CZ 3.65Å; M817-F829 HydrophobicContact SD-CE1 4.28Å; M817-F829 HydrophobicContact SD-CE2 4.23Å; M817-F829 HydrophobicContact SD-CZ 3.52Å; M817-F829 VanDerWaalsContact SD-CZ 3.52Å; M817-L858 HydrophobicContact CE-CD1 3.64Å; M817-L858 HydrophobicContact CE-CD2 3.75Å; M817-L858 HydrophobicContact CE-CG 4.38Å; M817-L903 HydrophobicContact CE-CD2 4.37Å; M817-L903 HydrophobicContact SD-CD2 4.11Å; M817-Q907 PolarHBondContact O-NE2 2.95Å; M817-Q907 PolarHBondContact O-OE1 2.96Å; M817-Y927 HydrophobicContact CB-CE1 3.98Å; M817-I931 HydrophobicContact CB-CD1 4.05Å; M817-I931 HydrophobicContact CE-CG2 4Å; M817-I931 HydrophobicContact CG-CD1 3.73Å; M817-I931 HydrophobicContact CG-CG1 4.02Å; M817-I931 HydrophobicContact CG-CG2 4.49Å; M817-I931 HydrophobicContact SD-CG1 4.44Å
818	T	62.2	Low	62.4	Low	55 Å²	55	74.2 Å²	74.2	34%	0.337	36%	0.36	S	S	.	.	H	α-helix	trans	-90	-1.5	-176.9	59.9	0	0	0	0	115.9	T814 S815 K820 Q907	T814-T818 HydrophobicContact CG2-CG2 4.07Å; T814-T818 WeakPolarHBondContact O-CG2 3.47Å; T814-T818 PolarHBondContact O-N 3.04Å; T814-T818 PolarHBondContact O-OG1 3.02Å; T814-T818 VanDerWaalsContact O-OG1 3.1Å; S815-T818 VanDerWaalsContact CA-OG1 3.31Å; S815-T818 WeakPolarHBondContact CA-OG1 3.31Å; S815-T818 CarbonylContact O-C 3.55Å; S815-T818 PolarHBondContact O-N 2.99Å; S815-T818 PolarHBondContact O-OG1 3.03Å; T818-K820 PolarHBondContact O-N 3.48Å; T818-Q907 HydrophobicContact CG2-CG 4.06Å
819	D	53.2	Low	61.3	Low	89 Å²	89	67.4 Å²	67.4	48%	0.476	34%	0.335	S	S	.	.			trans	-61.8	128.6	-167.5	-155.1	-12.2	0	0	0	112.3	S815 E821	S815-D819 PolarHBondContact O-N 3.01Å; D819-E821 VanDerWaalsContact C-N 3.27Å; D819-E821 PolarHBondContact O-N 2.8Å
820	K	46.7	Very low	59.8	Low	175 Å²	175	70.4 Å²	70.4	76%	0.761	35%	0.352	S	S	*	.	S	Bend	trans	-77.6	-14.3	-159.8	-72.4	179.7	177.6	174.1	0	113.2	T818 K822	T818-K820 PolarHBondContact O-N 3.48Å; K820-K822 VanDerWaalsContact C-N 3.26Å; K820-K822 PolarHBondContact O-N 3.2Å
821	E	46.5	Very low	58.4	Low	94 Å²	94	76.4 Å²	76.4	44%	0.439	38%	0.375	S	S	.	.			trans	-68.7	86.9	163.6	-72.6	-171.3	-121.1	0	0	109.8	D819 D823 K824 S825	D819-E821 VanDerWaalsContact C-N 3.27Å; D819-E821 PolarHBondContact O-N 2.8Å; E821-D823 PolarHBondContact O-N 3.18Å; E821-D823 VanDerWaalsContact O-N 3.09Å; E821-K824 HydrophobicContact CB-CB 3.99Å; E821-K824 HydrophobicContact CB-CD 4.2Å; E821-K824 HydrophobicContact CB-CG 4.17Å; E821-K824 PolarHBondContact O-N 3.09Å; E821-K824 IonicContact OE1-NZ 3.95Å; E821-K824 PolarHBondContact OE1-NZ 3.03Å; E821-K824 WeakPolarHBondContact OE2-CD 3.39Å; E821-K824 WeakPolarHBondContact OE2-CE 3.44Å; E821-K824 WeakPolarHBondContact OE2-CG 3.28Å; E821-K824 IonicContact OE2-NZ 2.7Å; E821-K824 PolarHBondContact OE2-NZ 2.82Å; E821-S825 PolarHBondContact O-N 2.71Å; E821-S825 PolarHBondContact O-OG 2.97Å
822	K	49.6	Very low	57.1	Low	164 Å²	164	73 Å²	73	71%	0.713	36%	0.356	S	S	*	.	H	α-helix	trans	-49.6	-34.1	174.8	-74.5	-174.8	176.6	-179.3	0	112.4	K820 S825 T826	K820-K822 VanDerWaalsContact C-N 3.26Å; K820-K822 PolarHBondContact O-N 3.2Å; K822-S825 WeakPolarHBondContact CA-OG 3.44Å; K822-S825 PolarHBondContact O-OG 3.1Å; K822-T826 WeakPolarHBondContact O-CA 3.21Å; K822-T826 WeakPolarHBondContact O-CB 3.25Å; K822-T826 PolarHBondContact O-N 3.38Å; K822-T826 PolarHBondContact O-OG1 3.17Å
823	D	46.9	Very low	55.4	Low	118 Å²	118	70.5 Å²	70.5	63%	0.631	35%	0.353	S	S	*	.	H	α-helix	trans	-75	-38.2	-178.9	-55.5	-50.8	0	0	0	111.9	E821 Q827	E821-D823 PolarHBondContact O-N 3.18Å; E821-D823 VanDerWaalsContact O-N 3.09Å; D823-Q827 WeakPolarHBondContact O-CB 3.49Å; D823-Q827 WeakPolarHBondContact O-CG 3.39Å; D823-Q827 PolarHBondContact O-N 3.41Å
824	K	45.7	Very low	53.8	Low	118 Å²	118	78.4 Å²	78.4	51%	0.513	39%	0.388	S	S	.	.	H	α-helix	trans	-67.8	-46.6	173.1	-75.6	-177.3	-176.6	147.8	0	111.7	E821 Q827 F828	E821-K824 HydrophobicContact CB-CB 3.99Å; E821-K824 HydrophobicContact CB-CD 4.2Å; E821-K824 HydrophobicContact CB-CG 4.17Å; E821-K824 PolarHBondContact O-N 3.09Å; E821-K824 IonicContact OE1-NZ 3.95Å; E821-K824 PolarHBondContact OE1-NZ 3.03Å; E821-K824 WeakPolarHBondContact OE2-CD 3.39Å; E821-K824 WeakPolarHBondContact OE2-CE 3.44Å; E821-K824 WeakPolarHBondContact OE2-CG 3.28Å; E821-K824 IonicContact OE2-NZ 2.7Å; E821-K824 PolarHBondContact OE2-NZ 2.82Å; K824-Q827 PolarHBondContact O-N 3.32Å; K824-F828 VanDerWaalsContact O-CB 3.27Å; K824-F828 WeakPolarHBondContact O-CB 3.38Å; K824-F828 PolarHBondContact O-N 3.16Å
825	S	48.2	Very low	52.3	Low	22 Å²	22	82.8 Å²	82.8	15%	0.154	41%	0.407	C	S	.	.	H	α-helix	trans	-64.9	-43.7	176.4	48.5	0	0	0	0	111.6	E821 K822 Q827 F828 F829	E821-S825 PolarHBondContact O-N 2.71Å; E821-S825 PolarHBondContact O-OG 2.97Å; K822-S825 WeakPolarHBondContact CA-OG 3.44Å; K822-S825 PolarHBondContact O-OG 3.1Å; S825-Q827 PolarHBondContact O-N 2.99Å; S825-F828 WeakPolarHBondContact O-CB 3.36Å; S825-F828 PolarHBondContact O-N 3Å; S825-F829 WeakPolarHBondContact O-CD2 3.26Å; S825-F829 PolarHBondContact O-N 2.79Å
826	T	48.9	Very low	50.7	Low	68 Å²	68	83.6 Å²	83.6	42%	0.417	41%	0.406	S	S	.	.	H	α-helix	trans	-66.3	-35.7	175.4	-56.1	0	0	0	0	111.9	K822 N830	K822-T826 WeakPolarHBondContact O-CA 3.21Å; K822-T826 WeakPolarHBondContact O-CB 3.25Å; K822-T826 PolarHBondContact O-N 3.38Å; K822-T826 PolarHBondContact O-OG1 3.17Å; T826-N830 WeakPolarHBondContact O-CB 3.44Å; T826-N830 PolarHBondContact O-N 3.4Å; T826-N830 PolarHBondContact O-ND2 3.07Å
827	Q	51.7	Low	49.2	Very low	100 Å²	100	87 Å²	87	47%	0.467	42%	0.422	S	S	.	.	H	α-helix	trans	-66.8	-42.2	172.2	-77.3	174.1	41.1	0	0	112.5	D823 K824 S825 N830 R831	D823-Q827 WeakPolarHBondContact O-CB 3.49Å; D823-Q827 WeakPolarHBondContact O-CG 3.39Å; D823-Q827 PolarHBondContact O-N 3.41Å; K824-Q827 PolarHBondContact O-N 3.32Å; S825-Q827 PolarHBondContact O-N 2.99Å; Q827-N830 PolarHBondContact O-N 3.46Å; Q827-R831 WeakPolarHBondContact O-CG 3.41Å; Q827-R831 PolarHBondContact O-N 3.29Å
828	F	53.6	Low	47.6	Very low	42 Å²	42	95.2 Å²	95.2	18%	0.184	46%	0.457	C	S	.	.	H	α-helix	trans	-56.8	-55.7	173.5	-178.1	-90.8	0	0	0	109.6	K824 S825 N830 R831 L832 P854 I857 L858	K824-F828 VanDerWaalsContact O-CB 3.27Å; K824-F828 WeakPolarHBondContact O-CB 3.38Å; K824-F828 PolarHBondContact O-N 3.16Å; S825-F828 WeakPolarHBondContact O-CB 3.36Å; S825-F828 PolarHBondContact O-N 3Å; F828-N830 VanDerWaalsContact C-N 3.34Å; F828-N830 PolarHBondContact O-N 2.72Å; F828-R831 PolarHBondContact O-N 3.07Å; F828-R831 VanDerWaalsContact O-N 3.15Å; F828-L832 HydrophobicContact CD1-CD1 4.46Å; F828-L832 HydrophobicContact CE1-CD1 4.18Å; F828-L832 PolarHBondContact O-N 3.35Å; F828-P854 HydrophobicContact CB-CG 4.44Å; F828-P854 HydrophobicContact CD1-CB 3.73Å; F828-P854 HydrophobicContact CD1-CG 4.28Å; F828-P854 HydrophobicContact CD2-CB 3.69Å; F828-P854 HydrophobicContact CD2-CG 3.65Å; F828-P854 HydrophobicContact CE1-CB 3.62Å; F828-P854 HydrophobicContact CE2-CB 3.56Å; F828-P854 HydrophobicContact CE2-CG 3.95Å; F828-P854 HydrophobicContact CG-CB 3.77Å; F828-P854 HydrophobicContact CG-CG 3.83Å; F828-P854 HydrophobicContact CZ-CB 3.53Å; F828-P854 HydrophobicContact CZ-CG 4.4Å; F828-P854 VanDerWaalsContact O-CG 3.28Å; F828-P854 WeakPolarHBondContact O-CG 3.18Å; F828-I857 HydrophobicContact CE2-CD1 4.28Å; F828-L858 HydrophobicContact CE1-CD1 4.49Å
829	F	52.5	Low	46.1	Very low	10 Å²	10	100 Å²	100	4%	0.044	48%	0.481	C	S	.	.	H	α-helix	trans	-72.4	-21.1	-179.7	-69.4	-72.4	0	0	0	114.7	M817 S825 L832 S833 L858 Y900	M817-F829 HydrophobicContact CE-CE1 4.02Å; M817-F829 HydrophobicContact CE-CZ 3.65Å; M817-F829 HydrophobicContact SD-CE1 4.28Å; M817-F829 HydrophobicContact SD-CE2 4.23Å; M817-F829 HydrophobicContact SD-CZ 3.52Å; M817-F829 VanDerWaalsContact SD-CZ 3.52Å; S825-F829 WeakPolarHBondContact O-CD2 3.26Å; S825-F829 PolarHBondContact O-N 2.79Å; F829-L832 HydrophobicContact CD1-CB 4.32Å; F829-L832 HydrophobicContact CD1-CD1 3.49Å; F829-L832 VanDerWaalsContact CD1-CD1 3.49Å; F829-L832 HydrophobicContact CD1-CG 4.45Å; F829-L832 HydrophobicContact CE1-CD1 3.51Å; F829-L832 WeakPolarHBondContact O-CB 3.45Å; F829-S833 WeakPolarHBondContact O-CB 3.44Å; F829-S833 PolarHBondContact O-N 3.03Å; F829-S833 PolarHBondContact O-OG 3.01Å; F829-L858 HydrophobicContact CE1-CD1 4.27Å; F829-Y900 HydrophobicContact CB-CD1 4.18Å; F829-Y900 HydrophobicContact CB-CE1 3.53Å; F829-Y900 HydrophobicContact CB-CE2 4.24Å; F829-Y900 HydrophobicContact CD1-CD1 4.28Å; F829-Y900 AromaticContact CD1-CD2 3.56Å; F829-Y900 HydrophobicContact CD1-CD2 3.56Å; F829-Y900 HydrophobicContact CD1-CE1 4.06Å; F829-Y900 AromaticContact CD1-CE2 3.3Å; F829-Y900 HydrophobicContact CD1-CE2 3.3Å; F829-Y900 HydrophobicContact CD1-CG 4.08Å; F829-Y900 AromaticContact CD1-CZ 3.6Å; F829-Y900 HydrophobicContact CD2-CE1 4.19Å; F829-Y900 AromaticContact CD2-CE2 3.56Å; F829-Y900 HydrophobicContact CD2-CE2 3.56Å; F829-Y900 AromaticContact CD2-CZ 3.32Å; F829-Y900 WeakPolarHBondContact CD2-OH 3.23Å; F829-Y900 AromaticContact CE1-CD2 3.68Å; F829-Y900 HydrophobicContact CE1-CD2 3.68Å; F829-Y900 AromaticContact CE1-CE2 3.41Å; F829-Y900 HydrophobicContact CE1-CE2 3.41Å; F829-Y900 VanDerWaalsContact CE1-CE2 3.41Å; F829-Y900 AromaticContact CE2-CE2 3.67Å; F829-Y900 HydrophobicContact CE2-CE2 3.67Å; F829-Y900 AromaticContact CE2-CZ 3.89Å; F829-Y900 HydrophobicContact CG-CD1 4.3Å; F829-Y900 HydrophobicContact CG-CD2 4.08Å; F829-Y900 AromaticContact CG-CE1 3.66Å; F829-Y900 HydrophobicContact CG-CE1 3.66Å; F829-Y900 AromaticContact CG-CE2 3.4Å; F829-Y900 HydrophobicContact CG-CE2 3.4Å; F829-Y900 VanDerWaalsContact CG-CE2 3.4Å; F829-Y900 AromaticContact CG-CZ 3.18Å; F829-Y900 WeakPolarHBondContact CG-OH 3.37Å; F829-Y900 HydrophobicContact CZ-CD2 4.29Å; F829-Y900 AromaticContact CZ-CE2 3.62Å; F829-Y900 HydrophobicContact CZ-CE2 3.62Å
830	N	50.4	Low	45	Very low	86 Å²	86	101 Å²	101	46%	0.46	50%	0.495	S	S	.	.	H	α-helix	trans	-75.3	-26.4	169.4	-78.7	-12.2	0	0	0	113.5	T826 Q827 F828 S833 K834	T826-N830 WeakPolarHBondContact O-CB 3.44Å; T826-N830 PolarHBondContact O-N 3.4Å; T826-N830 PolarHBondContact O-ND2 3.07Å; Q827-N830 PolarHBondContact O-N 3.46Å; F828-N830 VanDerWaalsContact C-N 3.34Å; F828-N830 PolarHBondContact O-N 2.72Å; N830-S833 WeakPolarHBondContact CA-OG 3.44Å; N830-S833 PolarHBondContact O-OG 2.85Å; N830-K834 VanDerWaalsContact O-CG 3.26Å; N830-K834 WeakPolarHBondContact O-CG 3.19Å; N830-K834 PolarHBondContact O-N 3.19Å
831	R	50.5	Low	44.1	Very low	127 Å²	127	95.7 Å²	95.7	48%	0.479	48%	0.477	S	S	.	.	H	α-helix	trans	-72.9	-45.1	168.3	-68.4	168.6	-161.9	170.5	8.6	109.5	Q827 F828 S833 K834 H835 P854	Q827-R831 WeakPolarHBondContact O-CG 3.41Å; Q827-R831 PolarHBondContact O-N 3.29Å; F828-R831 PolarHBondContact O-N 3.07Å; F828-R831 VanDerWaalsContact O-N 3.15Å; R831-S833 PolarHBondContact O-N 3.16Å; R831-K834 PolarHBondContact O-N 3.43Å; R831-H835 PolarHBondContact O-N 3.14Å; R831-H835 VanDerWaalsContact O-N 3.12Å; R831-P854 HydrophobicContact CB-CG 4.05Å
832	L	49.8	Very low	43.3	Very low	6 Å²	6	97.8 Å²	97.8	3%	0.031	49%	0.491	C	S	.	.	H	α-helix	trans	-55.7	-44.8	176.1	-138.9	162.2	0	0	0	112.1	F828 F829 H835 P854 L855 L858	F828-L832 HydrophobicContact CD1-CD1 4.46Å; F828-L832 HydrophobicContact CE1-CD1 4.18Å; F828-L832 PolarHBondContact O-N 3.35Å; F829-L832 HydrophobicContact CD1-CB 4.32Å; F829-L832 HydrophobicContact CD1-CD1 3.49Å; F829-L832 VanDerWaalsContact CD1-CD1 3.49Å; F829-L832 HydrophobicContact CD1-CG 4.45Å; F829-L832 HydrophobicContact CE1-CD1 3.51Å; F829-L832 WeakPolarHBondContact O-CB 3.45Å; L832-H835 PolarHBondContact O-N 3.27Å; L832-P854 HydrophobicContact CB-CB 4.05Å; L832-P854 HydrophobicContact CD1-CB 3.57Å; L832-P854 HydrophobicContact CG-CB 3.82Å; L832-L855 HydrophobicContact CD2-CD1 4.29Å; L832-L855 HydrophobicContact CD2-CD2 3.63Å; L832-L855 HydrophobicContact CD2-CG 3.63Å; L832-L855 HydrophobicContact CG-CD2 4.33Å; L832-L855 HydrophobicContact CG-CG 3.94Å; L832-L858 HydrophobicContact CD1-CD1 3.99Å
833	S	42.9	Very low	42.4	Very low	59 Å²	59	95.9 Å²	95.9	41%	0.413	49%	0.493	S	S	.	.	H	α-helix	trans	-71.6	-30.1	178.4	66.4	0	0	0	0	114	F829 N830 R831	F829-S833 WeakPolarHBondContact O-CB 3.44Å; F829-S833 PolarHBondContact O-N 3.03Å; F829-S833 PolarHBondContact O-OG 3.01Å; N830-S833 WeakPolarHBondContact CA-OG 3.44Å; N830-S833 PolarHBondContact O-OG 2.85Å; R831-S833 PolarHBondContact O-N 3.16Å
834	K	45.6	Very low	41.5	Very low	172 Å²	172	94.6 Å²	94.6	75%	0.748	49%	0.494	S	S	*	.	H	α-helix	trans	-74.7	-25.5	175.6	-76	178.8	177.6	-168.9	0	113.4	N830 R831	N830-K834 VanDerWaalsContact O-CG 3.26Å; N830-K834 WeakPolarHBondContact O-CG 3.19Å; N830-K834 PolarHBondContact O-N 3.19Å; R831-K834 PolarHBondContact O-N 3.43Å
835	H	43.9	Very low	40.6	Very low	108 Å²	108	95 Å²	95	50%	0.5	51%	0.506	S	S	.	.	H	α-helix	trans	-77.3	-20.4	-176.8	-120	-76.3	0	0	0	114.4	R831 L832 M837	R831-H835 PolarHBondContact O-N 3.14Å; R831-H835 VanDerWaalsContact O-N 3.12Å; L832-H835 PolarHBondContact O-N 3.27Å; H835-M837 PolarHBondContact O-N 3.18Å
836	N	41.5	Very low	39.6	Very low	82 Å²	82	99.8 Å²	99.8	44%	0.439	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	17.6	-178.6	-85.8	8.1	0	0	0	115.3
837	M	37.2	Very low	38.6	Very low	127 Å²	127	105.1 Å²	105.1	63%	0.626	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.1	-2.4	-173.5	-82.1	-80.3	100.4	0	0	115.8	H835	H835-M837 PolarHBondContact O-N 3.18Å
838	K	32.5	Very low	37.4	Very low	177 Å²	177	107.2 Å²	107.2	77%	0.77	57%	0.565	S	S	*	*			trans	-144.9	117.9	174.9	-69.3	-167	176.7	-172.5	0	112.3	S840	K838-S840 PolarHBondContact O-N 3.04Å
839	N	30.6	Very low	36.2	Very low	157 Å²	157	112.5 Å²	112.5	84%	0.84	60%	0.595	S	S	*	*			trans	-65	122.2	158	-68.8	-2.1	0	0	0	107.6
840	S	30.5	Very low	35.2	Very low	110 Å²	110	121.1 Å²	121.1	77%	0.769	63%	0.633	S	S	*	*			trans	-112.9	79.4	176.8	-175.5	0	0	0	0	109.5	K838 N842	K838-S840 PolarHBondContact O-N 3.04Å; S840-N842 PolarHBondContact O-N 3.44Å
841	T	27.3	Very low	34.7	Very low	63 Å²	63	120.1 Å²	120.1	39%	0.387	63%	0.633	S	S	.	*			trans	-60.6	124.1	172.2	59.3	0	0	0	0	110.3	D1076	T841-D1076 WeakPolarHBondContact CG2-OD1 3.48Å
842	N	30.8	Very low	34.7	Very low	138 Å²	138	122.8 Å²	122.8	74%	0.738	65%	0.648	S	S	*	*			trans	148	155.7	141.2	-75.1	-19.1	0	0	0	116.2	S840	S840-N842 PolarHBondContact O-N 3.44Å
843	T	30.5	Very low	35	Very low	123 Å²	123	123.6 Å²	123.6	76%	0.755	65%	0.652	S	S	*	*			trans	63.2	85.8	154.8	45.2	0	0	0	0	120.1
844	S	27.2	Very low	35.8	Very low	92 Å²	92	120.9 Å²	120.9	64%	0.643	63%	0.633	S	S	*	*				50.9	133.7	111.3	62.6	0	0	0	0	123
845	T	27.2	Very low	36.6	Very low	126 Å²	126	113.4 Å²	113.4	77%	0.773	60%	0.601	S	S	*	*			trans	76.3	147.8	144.1	43.4	0	0	0	0	121.6
846	T	26.3	Very low	37.7	Very low	122 Å²	122	111.2 Å²	111.2	75%	0.748	59%	0.593	S	S	*	*			trans	66.5	111.6	162.4	39.6	0	0	0	0	120.7
847	E	27.6	Very low	38.9	Very low	180 Å²	180	110.2 Å²	110.2	84%	0.841	59%	0.587	S	S	*	*			trans	83	156.9	138.5	-62.4	-175.4	174.3	0	0	121.1	N849	E847-N849 PolarHBondContact O-N 2.77Å; E847-N849 VanDerWaalsContact O-N 3.13Å
848	E	27.4	Very low	40.6	Very low	144 Å²	144	104.4 Å²	104.4	67%	0.673	56%	0.558	S	S	*	*			trans	-84.5	88.2	-158	-63.7	-179.1	142.3	0	0	112.1	Y1042	E848-Y1042 VanDerWaalsContact OE1-CE1 3.28Å; E848-Y1042 WeakPolarHBondContact OE1-CE1 3.22Å; E848-Y1042 PolarHBondContact OE1-OH 3.5Å
849	N	28.2	Very low	42.8	Very low	153 Å²	153	100.9 Å²	100.9	82%	0.818	54%	0.54	S	S	*	.			trans	-130.4	128.2	165	-83.2	-84.7	0	0	0	110.4	E847 S851	E847-N849 PolarHBondContact O-N 2.77Å; E847-N849 VanDerWaalsContact O-N 3.13Å; N849-S851 PolarHBondContact O-N 3.08Å; N849-S851 VanDerWaalsContact O-N 3.14Å
850	F	31.1	Very low	45.2	Very low	192 Å²	192	96.8 Å²	96.8	84%	0.842	52%	0.516	S	S	*	.			trans	-59.8	118.8	172.5	-99.5	-96.2	0	0	0	109.7	K852	F850-K852 PolarHBondContact O-N 3.37Å
851	S	39.9	Very low	47.8	Very low	65 Å²	65	91.6 Å²	91.6	46%	0.455	48%	0.48	S	S	.	.			trans	-49.8	134.9	174.2	174.7	0	0	0	0	110.3	N849 D853 D856	N849-S851 PolarHBondContact O-N 3.08Å; N849-S851 VanDerWaalsContact O-N 3.14Å; S851-D853 PolarHBondContact O-N 3.46Å; S851-D853 PolarHBondContact OG-N 3.34Å; S851-D856 PolarHBondContact OG-OD2 2.94Å
852	K	51	Low	50.6	Low	183 Å²	183	89.7 Å²	89.7	80%	0.796	47%	0.467	S	S	*	.			trans	-79.6	9.1	-179.5	-69.2	174.5	-178.5	165.6	0	113	F850 P854	F850-K852 PolarHBondContact O-N 3.37Å; K852-P854 VanDerWaalsContact O-CD 3.24Å; K852-P854 WeakPolarHBondContact O-CD 3.47Å
853	D	56.6	Low	53.2	Low	22 Å²	22	89.9 Å²	89.9	12%	0.118	47%	0.467	C	S	.	.			trans	-72.9	117.5	177.1	-172.1	-2.5	0	0	0	111.5	S851 L855 D856	S851-D853 PolarHBondContact O-N 3.46Å; S851-D853 PolarHBondContact OG-N 3.34Å; D853-L855 PolarHBondContact O-N 3.49Å; D853-L855 PolarHBondContact OD1-N 3.14Å; D853-D856 HydrophobicContact CB-CB 4.41Å; D853-D856 PolarHBondContact O-N 3.35Å; D853-D856 VanDerWaalsContact O-N 3.12Å
854	P	59.3	Low	55.5	Low	2 Å²	2	89.6 Å²	89.6	1%	0.013	46%	0.457	C	S	.	.	H	α-helix	trans	-55.1	-27.7	170.9	-31.7	44	0	0	0	115.5	F828 R831 L832 K852 L858	F828-P854 HydrophobicContact CB-CG 4.44Å; F828-P854 HydrophobicContact CD1-CB 3.73Å; F828-P854 HydrophobicContact CD1-CG 4.28Å; F828-P854 HydrophobicContact CD2-CB 3.69Å; F828-P854 HydrophobicContact CD2-CG 3.65Å; F828-P854 HydrophobicContact CE1-CB 3.62Å; F828-P854 HydrophobicContact CE2-CB 3.56Å; F828-P854 HydrophobicContact CE2-CG 3.95Å; F828-P854 HydrophobicContact CG-CB 3.77Å; F828-P854 HydrophobicContact CG-CG 3.83Å; F828-P854 HydrophobicContact CZ-CB 3.53Å; F828-P854 HydrophobicContact CZ-CG 4.4Å; F828-P854 VanDerWaalsContact O-CG 3.28Å; F828-P854 WeakPolarHBondContact O-CG 3.18Å; R831-P854 HydrophobicContact CB-CG 4.05Å; L832-P854 HydrophobicContact CB-CB 4.05Å; L832-P854 HydrophobicContact CD1-CB 3.57Å; L832-P854 HydrophobicContact CG-CB 3.82Å; K852-P854 VanDerWaalsContact O-CD 3.24Å; K852-P854 WeakPolarHBondContact O-CD 3.47Å; P854-L858 WeakPolarHBondContact O-CG 3.43Å; P854-L858 PolarHBondContact O-N 3.36Å
855	L	61.3	Low	58.3	Low	16 Å²	16	87.1 Å²	87.1	8%	0.084	44%	0.437	C	S	.	.	H	α-helix	trans	-67.9	-38.6	174.3	-83.5	167.3	0	0	0	112.1	L832 D853 I857 L858 R859	L832-L855 HydrophobicContact CD2-CD1 4.29Å; L832-L855 HydrophobicContact CD2-CD2 3.63Å; L832-L855 HydrophobicContact CD2-CG 3.63Å; L832-L855 HydrophobicContact CG-CD2 4.33Å; L832-L855 HydrophobicContact CG-CG 3.94Å; D853-L855 PolarHBondContact O-N 3.49Å; D853-L855 PolarHBondContact OD1-N 3.14Å; L855-I857 PolarHBondContact O-N 3.49Å; L855-L858 CarbonylContact O-C 3.6Å; L855-L858 PolarHBondContact O-N 3.35Å; L855-L858 VanDerWaalsContact O-N 3.13Å; L855-R859 WeakPolarHBondContact O-CB 3.47Å; L855-R859 VanDerWaalsContact O-CG 3.29Å; L855-R859 WeakPolarHBondContact O-CG 3.17Å; L855-R859 PolarHBondContact O-N 3.31Å
856	D	67	Low	60.9	Low	61 Å²	61	81.4 Å²	81.4	33%	0.326	40%	0.402	S	S	.	.	H	α-helix	trans	-66.8	-38.7	-177.9	-71.7	-25.2	0	0	0	112	S851 D853 L858 R859 H860	S851-D856 PolarHBondContact OG-OD2 2.94Å; D853-D856 HydrophobicContact CB-CB 4.41Å; D853-D856 PolarHBondContact O-N 3.35Å; D853-D856 VanDerWaalsContact O-N 3.12Å; D856-L858 PolarHBondContact O-N 3.41Å; D856-R859 PolarHBondContact O-N 3.39Å; D856-R859 WeakPolarHBondContact OD1-CD 3.48Å; D856-R859 IonicContact OD1-CZ 3.67Å; D856-R859 IonicContact OD1-NE 3.32Å; D856-R859 IonicContact OD1-NH1 2.65Å; D856-R859 PolarHBondContact OD1-NH1 2.65Å; D856-H860 PolarHBondContact O-N 2.58Å
857	I	67.4	Low	63.4	Low	62 Å²	62	79.3 Å²	79.3	32%	0.318	39%	0.39	S	S	.	.	H	α-helix	trans	-62.2	-32.8	173.7	-59.9	-173	0	0	0	111.4	Y813 L816 F828 L855	Y813-I857 WeakPolarHBondContact CE1-O 3.32Å; L816-I857 HydrophobicContact CD1-CG2 3.86Å; F828-I857 HydrophobicContact CE2-CD1 4.28Å; L855-I857 PolarHBondContact O-N 3.49Å
858	L	72.4	Confident	65.8	Low	4 Å²	4	71.9 Å²	71.9	2%	0.021	36%	0.356	C	S	.	.	H	α-helix	trans	-85	-31.3	176.1	-63.1	178	0	0	0	113	M817 F828 F829 L832 P854 L855 D856 H860 I861 V935	M817-L858 HydrophobicContact CE-CD1 3.64Å; M817-L858 HydrophobicContact CE-CD2 3.75Å; M817-L858 HydrophobicContact CE-CG 4.38Å; F828-L858 HydrophobicContact CE1-CD1 4.49Å; F829-L858 HydrophobicContact CE1-CD1 4.27Å; L832-L858 HydrophobicContact CD1-CD1 3.99Å; P854-L858 WeakPolarHBondContact O-CG 3.43Å; P854-L858 PolarHBondContact O-N 3.36Å; L855-L858 CarbonylContact O-C 3.6Å; L855-L858 PolarHBondContact O-N 3.35Å; L855-L858 VanDerWaalsContact O-N 3.13Å; D856-L858 PolarHBondContact O-N 3.41Å; L858-H860 PolarHBondContact O-N 3.03Å; L858-I861 HydrophobicContact CD2-CD1 4.04Å; L858-I861 VanDerWaalsContact O-CB 3.24Å; L858-I861 WeakPolarHBondContact O-CB 3.27Å; L858-I861 VanDerWaalsContact O-CG1 3.27Å; L858-I861 WeakPolarHBondContact O-CG1 3.19Å; L858-I861 PolarHBondContact O-N 3.27Å; L858-V935 HydrophobicContact CB-CG1 4.16Å; L858-V935 HydrophobicContact CB-CG2 4.06Å; L858-V935 HydrophobicContact CD1-CG2 4.23Å; L858-V935 WeakPolarHBondContact O-CG1 3.46Å
859	R	79.9	Confident	68.7	Low	103 Å²	103	65 Å²	65	39%	0.389	32%	0.324	S	S	.	.	H	α-helix	trans	-58	-32.2	172.8	-78.1	164	170.7	154.8	0.3	111.5	L855 D856 I861 L862 L863 V939	L855-R859 WeakPolarHBondContact O-CB 3.47Å; L855-R859 VanDerWaalsContact O-CG 3.29Å; L855-R859 WeakPolarHBondContact O-CG 3.17Å; L855-R859 PolarHBondContact O-N 3.31Å; D856-R859 PolarHBondContact O-N 3.39Å; D856-R859 WeakPolarHBondContact OD1-CD 3.48Å; D856-R859 IonicContact OD1-CZ 3.67Å; D856-R859 IonicContact OD1-NE 3.32Å; D856-R859 IonicContact OD1-NH1 2.65Å; D856-R859 PolarHBondContact OD1-NH1 2.65Å; R859-I861 PolarHBondContact O-N 2.92Å; R859-I861 VanDerWaalsContact O-N 3.16Å; R859-L862 WeakPolarHBondContact O-CB 3.26Å; R859-L862 PolarHBondContact O-N 2.97Å; R859-L863 PolarHBondContact O-N 3.08Å; R859-V939 HydrophobicContact CG-CG1 4.41Å; R859-V939 HydrophobicContact CG-CG2 3.81Å
860	H	80.9	Confident	71.6	Confident	72 Å²	72	58.2 Å²	58.2	33%	0.333	29%	0.288	S	S	.	.	H	α-helix	trans	-54.7	-30.6	173.8	-170.5	-8.9	0	0	0	113.5	Y813 D856 L858 L862 L863 E864	Y813-H860 WeakPolarHBondContact OH-CB 3.27Å; Y813-H860 PolarHBondContact OH-CD2 3.36Å; Y813-H860 PolarHBondContact OH-ND1 3.22Å; D856-H860 PolarHBondContact O-N 2.58Å; L858-H860 PolarHBondContact O-N 3.03Å; H860-L862 PolarHBondContact O-N 3.18Å; H860-L863 PolarHBondContact O-N 3.3Å; H860-E864 IonicContact CE1-OE2 3.28Å; H860-E864 PolarHBondContact CE1-OE2 3.28Å
861	I	84.2	Confident	74.1	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-55.7	-37.6	174	-60.2	172.3	0	0	0	111.5	K809 Y813 L858 R859 Y928 I931 L932 V935	K809-I861 PolarHBondContact NZ-O 3.14Å; Y813-I861 HydrophobicContact CD1-CD1 3.66Å; Y813-I861 HydrophobicContact CD1-CG1 3.41Å; Y813-I861 VanDerWaalsContact CD1-CG1 3.41Å; Y813-I861 HydrophobicContact CD2-CD1 4.36Å; Y813-I861 HydrophobicContact CD2-CG1 3.71Å; Y813-I861 HydrophobicContact CE1-CD1 4.15Å; Y813-I861 HydrophobicContact CE1-CG1 3.43Å; Y813-I861 VanDerWaalsContact CE1-CG1 3.43Å; Y813-I861 HydrophobicContact CE2-CG1 3.73Å; Y813-I861 HydrophobicContact CG-CD1 3.79Å; Y813-I861 HydrophobicContact CG-CG1 3.56Å; L858-I861 HydrophobicContact CD2-CD1 4.04Å; L858-I861 VanDerWaalsContact O-CB 3.24Å; L858-I861 WeakPolarHBondContact O-CB 3.27Å; L858-I861 VanDerWaalsContact O-CG1 3.27Å; L858-I861 WeakPolarHBondContact O-CG1 3.19Å; L858-I861 PolarHBondContact O-N 3.27Å; R859-I861 PolarHBondContact O-N 2.92Å; R859-I861 VanDerWaalsContact O-N 3.16Å; I861-Y928 HydrophobicContact CG2-CE2 4.48Å; I861-I931 HydrophobicContact CD1-CG2 4.1Å; I861-L932 HydrophobicContact CG2-CD1 3.63Å; I861-V935 HydrophobicContact CD1-CG2 4.21Å
862	L	87.1	Confident	76.4	Confident	23 Å²	23	51.9 Å²	51.9	12%	0.12	25%	0.251	C	S	.	.	H	α-helix	trans	-86.6	-13.8	-175.6	-53.7	180	0	0	0	113.5	R859 H860 L865 L932 V935 F936 V939 Y940	R859-L862 WeakPolarHBondContact O-CB 3.26Å; R859-L862 PolarHBondContact O-N 2.97Å; H860-L862 PolarHBondContact O-N 3.18Å; L862-L865 HydrophobicContact CD2-CD2 4.24Å; L862-L932 HydrophobicContact CD2-CD1 4.09Å; L862-V935 HydrophobicContact CD1-CG1 4.17Å; L862-V935 HydrophobicContact CG-CG1 4.19Å; L862-F936 HydrophobicContact CD2-CB 4.2Å; L862-F936 HydrophobicContact CD2-CD2 4.38Å; L862-V939 HydrophobicContact CD1-CB 3.87Å; L862-V939 HydrophobicContact CD1-CG1 3.96Å; L862-V939 HydrophobicContact CD1-CG2 4Å; L862-Y940 HydrophobicContact CD1-CD2 4.44Å; L862-Y940 HydrophobicContact CD1-CE2 4.07Å
863	L	83.8	Confident	78.3	Confident	142 Å²	142	43.2 Å²	43.2	74%	0.743	21%	0.213	S	C	*	.	H	α-helix	trans	-74.6	-37.2	175.4	-62.8	179.9	0	0	0	111.9	R859 H860	R859-L863 PolarHBondContact O-N 3.08Å; H860-L863 PolarHBondContact O-N 3.3Å
864	E	80.4	Confident	80	Confident	117 Å²	117	42.4 Å²	42.4	55%	0.547	21%	0.209	S	C	.	.	S	Bend	trans	-119.9	54	-172.7	-61.9	-175.3	147.2	0	0	111.6	K809 H860 S866	K809-E864 PolarHBondContact NZ-O 2.99Å; H860-E864 IonicContact CE1-OE2 3.28Å; H860-E864 PolarHBondContact CE1-OE2 3.28Å; E864-S866 PolarHBondContact O-N 3.1Å
865	L	85.1	Confident	81.4	Confident	40 Å²	40	46.2 Å²	46.2	21%	0.209	23%	0.229	C	C	.	.			trans	-65.3	124.4	-177.9	-69.8	166.4	0	0	0	112	L862 D869 L873 L932 L999	L862-L865 HydrophobicContact CD2-CD2 4.24Å; L865-D869 HydrophobicContact CB-CB 4.19Å; L865-D869 HydrophobicContact CD2-CB 3.65Å; L865-L873 HydrophobicContact CD1-CD1 4.03Å; L865-L873 HydrophobicContact CD2-CD1 3.94Å; L865-L932 HydrophobicContact CD2-CD1 3.84Å; L865-L999 HydrophobicContact CD1-CD1 3.67Å
866	S	82.3	Confident	82.9	Confident	6 Å²	6	45.4 Å²	45.4	4%	0.042	23%	0.225	C	C	.	.			trans	-67.7	162.4	169.8	82.6	0	0	0	0	110.9	D806 E864 D868 D869 L870	D806-S866 WeakPolarHBondContact OD1-CB 3.5Å; E864-S866 PolarHBondContact O-N 3.1Å; S866-D868 PolarHBondContact O-N 3.1Å; S866-D868 PolarHBondContact OG-N 2.87Å; S866-D869 PolarHBondContact N-OD2 3.28Å; S866-D869 WeakPolarHBondContact O-CB 3.43Å; S866-D869 PolarHBondContact O-N 2.99Å; S866-D869 VanDerWaalsContact O-N 3.12Å; S866-D869 PolarHBondContact OG-N 3.19Å; S866-D869 PolarHBondContact OG-OD1 3.19Å; S866-D869 PolarHBondContact OG-OD2 3.03Å; S866-L870 PolarHBondContact O-N 2.67Å
867	P	78.7	Confident	84.1	Confident	78 Å²	78	42.5 Å²	42.5	51%	0.506	21%	0.21	S	C	.	.	H	α-helix	trans	-58.6	-28.9	172.9	-24.9	35.3	0	0	0	113.3	R871	P867-R871 WeakPolarHBondContact O-CB 3.43Å; P867-R871 PolarHBondContact O-N 3.21Å; P867-R871 VanDerWaalsContact O-N 3.09Å
868	D	78.8	Confident	85.3	Confident	24 Å²	24	40 Å²	40	13%	0.128	20%	0.197	C	C	.	.	H	α-helix	trans	-81.1	-32	177.6	-67.7	-11.2	0	0	0	111.4	S801 L802 S866 R871 T872	S801-D868 PolarHBondContact OG-OD2 3.12Å; L802-D868 HydrophobicContact CD2-CB 4.15Å; S866-D868 PolarHBondContact O-N 3.1Å; S866-D868 PolarHBondContact OG-N 2.87Å; D868-R871 IonicContact OD1-CZ 2.94Å; D868-R871 IonicContact OD1-NH1 2.66Å; D868-R871 PolarHBondContact OD1-NH1 3.47Å; D868-R871 IonicContact OD1-NH2 2.67Å; D868-T872 WeakPolarHBondContact O-CB 3.48Å; D868-T872 PolarHBondContact O-N 3.47Å; D868-T872 PolarHBondContact O-OG1 3.35Å
869	D	87.4	Confident	86.2	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.6	-51.5	169.9	-59.9	-12.8	0	0	0	110.1	K809 H810 L865 S866 R871 T872 L873 Y928 L932	K809-D869 IonicContact NZ-OD2 2.9Å; K809-D869 PolarHBondContact NZ-OD2 3.06Å; H810-D869 IonicContact CE1-OD1 2.63Å; H810-D869 IonicContact NE2-OD1 3.7Å; H810-D869 PolarHBondContact NE2-OD1 2.89Å; L865-D869 HydrophobicContact CB-CB 4.19Å; L865-D869 HydrophobicContact CD2-CB 3.65Å; S866-D869 PolarHBondContact N-OD2 3.28Å; S866-D869 WeakPolarHBondContact O-CB 3.43Å; S866-D869 PolarHBondContact O-N 2.99Å; S866-D869 VanDerWaalsContact O-N 3.12Å; S866-D869 PolarHBondContact OG-N 3.19Å; S866-D869 PolarHBondContact OG-OD1 3.19Å; S866-D869 PolarHBondContact OG-OD2 3.03Å; D869-R871 VanDerWaalsContact C-N 3.33Å; D869-R871 PolarHBondContact O-N 3.25Å; D869-T872 WeakPolarHBondContact O-CA 3.45Å; D869-T872 WeakPolarHBondContact O-CB 3.49Å; D869-T872 PolarHBondContact O-N 2.8Å; D869-L873 WeakPolarHBondContact O-CG 3.41Å; D869-L873 PolarHBondContact O-N 3.31Å; D869-Y928 WeakPolarHBondContact OD1-CE1 3.49Å; D869-Y928 PolarHBondContact OD2-OH 3.35Å; D869-L932 HydrophobicContact CB-CD1 4.47Å; D869-L932 HydrophobicContact CB-CD2 3.71Å
870	L	88.2	Confident	86.9	Confident	10 Å²	10	35.6 Å²	35.6	5%	0.052	18%	0.18	C	C	.	.	H	α-helix	trans	-57.9	-45.7	177.9	179.8	60.3	0	0	0	110.8	S866 T872 L873 V874 V996 L999 A1003 L1006	S866-L870 PolarHBondContact O-N 2.67Å; L870-T872 VanDerWaalsContact C-N 3.26Å; L870-T872 PolarHBondContact O-N 3.41Å; L870-L873 PolarHBondContact O-N 2.99Å; L870-V874 HydrophobicContact CD1-CG2 4.42Å; L870-V874 HydrophobicContact CG-CG2 4.47Å; L870-V874 VanDerWaalsContact O-CG2 3.25Å; L870-V874 WeakPolarHBondContact O-CG2 3.23Å; L870-V874 PolarHBondContact O-N 3.32Å; L870-V996 HydrophobicContact CD1-CG1 4.05Å; L870-L999 HydrophobicContact CD1-CB 3.76Å; L870-L999 HydrophobicContact CD1-CD1 4.18Å; L870-L999 HydrophobicContact CD2-CB 4.07Å; L870-A1003 HydrophobicContact CD2-CB 3.77Å; L870-L1006 HydrophobicContact CD2-CD1 4.04Å; L870-L1006 HydrophobicContact CG-CD1 4.47Å
871	R	84.4	Confident	87.5	Confident	103 Å²	103	32.2 Å²	32.2	39%	0.389	17%	0.165	S	C	.	.	H	α-helix	trans	-64	-30.9	175.9	-157	-176.2	-55.1	100	3	112.3	P867 D868 D869 N875 L1006	P867-R871 WeakPolarHBondContact O-CB 3.43Å; P867-R871 PolarHBondContact O-N 3.21Å; P867-R871 VanDerWaalsContact O-N 3.09Å; D868-R871 IonicContact OD1-CZ 2.94Å; D868-R871 IonicContact OD1-NH1 2.66Å; D868-R871 PolarHBondContact OD1-NH1 3.47Å; D868-R871 IonicContact OD1-NH2 2.67Å; D869-R871 VanDerWaalsContact C-N 3.33Å; D869-R871 PolarHBondContact O-N 3.25Å; R871-N875 WeakPolarHBondContact O-CB 3.41Å; R871-N875 PolarHBondContact O-N 2.87Å; R871-N875 VanDerWaalsContact O-N 3.08Å; R871-N875 PolarHBondContact O-ND2 2.66Å; R871-L1006 HydrophobicContact CB-CD2 4.43Å
872	T	88.1	Confident	87.9	Confident	22 Å²	22	33.2 Å²	33.2	14%	0.135	17%	0.168	C	C	.	.	H	α-helix	trans	-70.6	-34.2	175.3	-62.3	0	0	0	0	112.3	P479 D868 D869 L870 L876 Y929 L932 Q933	P479-T872 HydrophobicContact CG-CG2 4.33Å; D868-T872 WeakPolarHBondContact O-CB 3.48Å; D868-T872 PolarHBondContact O-N 3.47Å; D868-T872 PolarHBondContact O-OG1 3.35Å; D869-T872 WeakPolarHBondContact O-CA 3.45Å; D869-T872 WeakPolarHBondContact O-CB 3.49Å; D869-T872 PolarHBondContact O-N 2.8Å; L870-T872 VanDerWaalsContact C-N 3.26Å; L870-T872 PolarHBondContact O-N 3.41Å; T872-L876 PolarHBondContact O-N 3.16Å; T872-Y929 HydrophobicContact CG2-CD1 3.97Å; T872-Y929 HydrophobicContact CG2-CG 4.35Å; T872-L932 HydrophobicContact CG2-CD2 4.14Å; T872-Q933 HydrophobicContact CG2-CG 4.09Å; T872-Q933 PolarHBondContact O-NE2 2.81Å
873	L	91.9	Very high	88.2	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-76	-41.3	174.2	-63.3	-179.8	0	0	0	112.5	L865 D869 L870 N875 L876 I877 L932 F936	L865-L873 HydrophobicContact CD1-CD1 4.03Å; L865-L873 HydrophobicContact CD2-CD1 3.94Å; D869-L873 WeakPolarHBondContact O-CG 3.41Å; D869-L873 PolarHBondContact O-N 3.31Å; L870-L873 PolarHBondContact O-N 2.99Å; L873-N875 PolarHBondContact O-N 2.65Å; L873-L876 WeakPolarHBondContact O-CB 3.36Å; L873-L876 PolarHBondContact O-N 3.42Å; L873-L876 VanDerWaalsContact O-N 3.1Å; L873-I877 WeakPolarHBondContact O-CG1 3.34Å; L873-I877 PolarHBondContact O-N 3.37Å; L873-L932 HydrophobicContact CD1-CD1 4.49Å; L873-L932 HydrophobicContact CD2-CD1 4.49Å; L873-L932 HydrophobicContact CD2-CD2 4.48Å; L873-L932 HydrophobicContact CD2-CG 4.08Å; L873-L932 HydrophobicContact CG-CD2 4.44Å; L873-L932 HydrophobicContact CG-CG 4.44Å; L873-F936 HydrophobicContact CD1-CB 4.46Å; L873-F936 HydrophobicContact CD1-CD2 3.71Å; L873-F936 HydrophobicContact CD1-CE2 4.25Å; L873-F936 HydrophobicContact CD1-CG 4.17Å; L873-F936 HydrophobicContact CD2-CB 3.54Å; L873-F936 HydrophobicContact CD2-CD1 4.06Å; L873-F936 HydrophobicContact CD2-CD2 4.03Å; L873-F936 HydrophobicContact CD2-CG 3.59Å; L873-F936 HydrophobicContact CG-CD2 4.42Å; L873-F936 HydrophobicContact CG-CG 4.44Å
874	V	90.6	Very high	88.5	Confident	6 Å²	6	25.9 Å²	25.9	4%	0.036	13%	0.132	C	C	.	.	H	α-helix	trans	-54	-52.1	171.8	167.2	0	0	0	0	110.7	L268 T271 L870 L876 I877 D878 V996 C1000	L268-V874 HydrophobicContact CD1-CB 4.03Å; L268-V874 HydrophobicContact CD1-CG1 4.04Å; L268-V874 HydrophobicContact CD1-CG2 3.86Å; T271-V874 HydrophobicContact CG2-CG1 3.75Å; L870-V874 HydrophobicContact CD1-CG2 4.42Å; L870-V874 HydrophobicContact CG-CG2 4.47Å; L870-V874 VanDerWaalsContact O-CG2 3.25Å; L870-V874 WeakPolarHBondContact O-CG2 3.23Å; L870-V874 PolarHBondContact O-N 3.32Å; V874-L876 VanDerWaalsContact C-N 3.25Å; V874-L876 PolarHBondContact O-N 2.87Å; V874-I877 PolarHBondContact O-N 3.27Å; V874-D878 PolarHBondContact O-N 2.83Å; V874-D878 VanDerWaalsContact O-N 3.08Å; V874-V996 HydrophobicContact CG2-CG1 4.19Å; V874-C1000 VanDerWaalsContact CG2-SG 3.54Å
875	N	88.9	Confident	88.8	Confident	81 Å²	81	22.4 Å²	22.4	43%	0.433	12%	0.116	S	C	.	.	H	α-helix	trans	-64.2	-26.4	178.2	-78.6	-61.1	0	0	0	113.5	R481 R871 L873 E879	R481-N875 PolarHBondContact NH1-O 3.4Å; R871-N875 WeakPolarHBondContact O-CB 3.41Å; R871-N875 PolarHBondContact O-N 2.87Å; R871-N875 VanDerWaalsContact O-N 3.08Å; R871-N875 PolarHBondContact O-ND2 2.66Å; L873-N875 PolarHBondContact O-N 2.65Å; N875-E879 WeakPolarHBondContact O-CB 3.42Å; N875-E879 PolarHBondContact O-N 2.63Å
876	L	92.8	Very high	89	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-73	-48	175	176.4	67.6	0	0	0	111.3	T872 L873 V874 E879 R880 P893 Q933 F936 L937	T872-L876 PolarHBondContact O-N 3.16Å; L873-L876 WeakPolarHBondContact O-CB 3.36Å; L873-L876 PolarHBondContact O-N 3.42Å; L873-L876 VanDerWaalsContact O-N 3.1Å; V874-L876 VanDerWaalsContact C-N 3.25Å; V874-L876 PolarHBondContact O-N 2.87Å; L876-E879 PolarHBondContact O-N 3.25Å; L876-R880 HydrophobicContact CD1-CG 4.38Å; L876-R880 WeakPolarHBondContact O-CB 3.41Å; L876-R880 VanDerWaalsContact O-CG 3.31Å; L876-R880 WeakPolarHBondContact O-CG 3.4Å; L876-R880 PolarHBondContact O-N 3.3Å; L876-P893 HydrophobicContact CD1-CG 3.74Å; L876-Q933 HydrophobicContact CD2-CB 3.93Å; L876-Q933 HydrophobicContact CD2-CG 3.89Å; L876-F936 HydrophobicContact CD2-CD1 4.36Å; L876-L937 HydrophobicContact CD2-CD1 4.08Å; L876-L937 HydrophobicContact CD2-CD2 4.17Å; L876-L937 HydrophobicContact CD2-CG 3.97Å
877	I	93.4	Very high	89.5	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.2	-52.8	-176.4	-68.2	165	0	0	0	110.3	L267 L268 L873 V874 E879 R880 Y881 F936 T986 L993 V996	L267-I877 HydrophobicContact CD1-CG2 4.09Å; L268-I877 HydrophobicContact CD1-CB 4.18Å; L268-I877 HydrophobicContact CD1-CD1 4.21Å; L268-I877 HydrophobicContact CD1-CG2 4.19Å; L873-I877 WeakPolarHBondContact O-CG1 3.34Å; L873-I877 PolarHBondContact O-N 3.37Å; V874-I877 PolarHBondContact O-N 3.27Å; I877-E879 VanDerWaalsContact C-N 3.29Å; I877-E879 PolarHBondContact O-N 3.38Å; I877-R880 PolarHBondContact O-N 3Å; I877-Y881 WeakPolarHBondContact O-CB 3.25Å; I877-Y881 PolarHBondContact O-N 3.27Å; I877-F936 HydrophobicContact CD1-CE1 3.98Å; I877-F936 HydrophobicContact CD1-CZ 3.83Å; I877-F936 HydrophobicContact CG1-CE1 4.14Å; I877-F936 HydrophobicContact CG1-CZ 4.48Å; I877-T986 HydrophobicContact CG2-CG2 4.2Å; I877-L993 HydrophobicContact CD1-CD2 4.48Å; I877-L993 HydrophobicContact CG2-CD2 3.81Å; I877-V996 HydrophobicContact CD1-CB 4.05Å; I877-V996 HydrophobicContact CD1-CG1 4.01Å; I877-V996 HydrophobicContact CD1-CG2 3.88Å
878	D	91.1	Very high	90.2	Very high	9 Å²	9	19.8 Å²	19.8	5%	0.048	10%	0.099	C	C	.	.	H	α-helix	trans	-65.9	-31	-179.4	-78.2	-27.2	0	0	0	112.3	S266 L267 V874 R882	S266-D878 WeakPolarHBondContact CB-OD2 3.33Å; S266-D878 PolarHBondContact OG-OD1 3.25Å; S266-D878 VanDerWaalsContact OG-OD1 3.14Å; S266-D878 PolarHBondContact OG-OD2 3.28Å; L267-D878 PolarHBondContact N-OD1 3.35Å; V874-D878 PolarHBondContact O-N 2.83Å; V874-D878 VanDerWaalsContact O-N 3.08Å; D878-R882 VanDerWaalsContact O-CG 3.27Å; D878-R882 WeakPolarHBondContact O-CG 3.5Å; D878-R882 PolarHBondContact O-N 3.4Å; D878-R882 PolarHBondContact O-NH1 3.23Å
879	E	93	Very high	90.9	Very high	9 Å²	9	18.9 Å²	18.9	4%	0.042	9%	0.094	C	C	.	.	H	α-helix	trans	-73.7	-37.8	175.9	-168.8	171.4	96	0	0	112.5	A475 R481 Y483 I632 N875 L876 I877 R882 A883	A475-E879 WeakPolarHBondContact CB-OE1 3.48Å; R481-E879 IonicContact CZ-OE1 2.68Å; R481-E879 IonicContact CZ-OE2 3.87Å; R481-E879 IonicContact NE-OE1 3.63Å; R481-E879 IonicContact NH1-OE1 3.23Å; R481-E879 PolarHBondContact NH1-OE1 2.81Å; R481-E879 IonicContact NH1-OE2 3.38Å; R481-E879 PolarHBondContact NH1-OE2 3.48Å; R481-E879 IonicContact NH2-OE1 2.69Å; R481-E879 PolarHBondContact NH2-OE1 3.38Å; R481-E879 IonicContact NH2-OE2 3.23Å; R481-E879 PolarHBondContact NH2-OE2 3.47Å; Y483-E879 HydrophobicContact CE2-CG 4.42Å; Y483-E879 PolarHBondContact OH-OE1 3.18Å; I632-E879 HydrophobicContact CG2-CG 3.57Å; N875-E879 WeakPolarHBondContact O-CB 3.42Å; N875-E879 PolarHBondContact O-N 2.63Å; L876-E879 PolarHBondContact O-N 3.25Å; I877-E879 VanDerWaalsContact C-N 3.29Å; I877-E879 PolarHBondContact O-N 3.38Å; E879-R882 PolarHBondContact O-N 2.56Å; E879-A883 WeakPolarHBondContact O-CB 3.43Å; E879-A883 PolarHBondContact O-N 3.38Å
880	R	94.1	Very high	91.3	Very high	6 Å²	6	19.2 Å²	19.2	2%	0.023	10%	0.096	C	C	.	.	H	α-helix	trans	-61.9	-44.5	171.1	-78.4	171.4	155.8	-94.6	-12.6	111.6	L876 I877 R882 A883 A884 P893 T986	L876-R880 HydrophobicContact CD1-CG 4.38Å; L876-R880 WeakPolarHBondContact O-CB 3.41Å; L876-R880 VanDerWaalsContact O-CG 3.31Å; L876-R880 WeakPolarHBondContact O-CG 3.4Å; L876-R880 PolarHBondContact O-N 3.3Å; I877-R880 PolarHBondContact O-N 3Å; R880-R882 PolarHBondContact O-N 3.41Å; R880-A883 WeakPolarHBondContact O-CB 3.3Å; R880-A883 PolarHBondContact O-N 3.12Å; R880-A883 VanDerWaalsContact O-N 3.13Å; R880-A884 PolarHBondContact O-N 3.22Å; R880-P893 PolarHBondContact NH2-O 2.65Å; R880-T986 HydrophobicContact CB-CG2 4.36Å; R880-T986 PolarHBondContact NH1-O 3.37Å
881	Y	92.8	Very high	91.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-57.8	-48.6	174.4	177.1	-114.8	0	0	0	111.7	I264 L267 I877 A883 A884 L885 P964 D965 M985	I264-Y881 HydrophobicContact CG2-CE1 4.1Å; L267-Y881 HydrophobicContact CD1-CD1 4.2Å; L267-Y881 HydrophobicContact CD1-CD2 3.86Å; L267-Y881 HydrophobicContact CD1-CG 3.63Å; L267-Y881 HydrophobicContact CD2-CD1 4.16Å; L267-Y881 HydrophobicContact CD2-CD2 4.13Å; L267-Y881 HydrophobicContact CD2-CE1 4.13Å; L267-Y881 HydrophobicContact CD2-CE2 4.09Å; L267-Y881 HydrophobicContact CD2-CG 4.17Å; L267-Y881 HydrophobicContact CG-CD1 3.94Å; L267-Y881 HydrophobicContact CG-CD2 4.26Å; L267-Y881 HydrophobicContact CG-CE1 4.39Å; L267-Y881 HydrophobicContact CG-CG 3.89Å; I877-Y881 WeakPolarHBondContact O-CB 3.25Å; I877-Y881 PolarHBondContact O-N 3.27Å; Y881-A883 VanDerWaalsContact C-N 3.27Å; Y881-A883 PolarHBondContact O-N 3.4Å; Y881-A884 PolarHBondContact O-N 3.18Å; Y881-L885 HydrophobicContact CD1-CD1 4.46Å; Y881-L885 HydrophobicContact CE1-CD1 3.96Å; Y881-L885 PolarHBondContact O-N 3.04Å; Y881-L885 VanDerWaalsContact O-N 3.09Å; Y881-P964 HydrophobicContact CE2-CB 4.16Å; Y881-P964 HydrophobicContact CE2-CG 4.05Å; Y881-D965 HydrophobicContact CE1-CB 3.93Å; Y881-D965 VanDerWaalsContact OH-CB 3.31Å; Y881-D965 WeakPolarHBondContact OH-CB 3.33Å; Y881-D965 PolarHBondContact OH-N 2.91Å; Y881-D965 PolarHBondContact OH-OD1 2.91Å; Y881-D965 VanDerWaalsContact OH-OD1 3.1Å; Y881-M985 HydrophobicContact CD2-CB 4.33Å; Y881-M985 HydrophobicContact CD2-CE 3.8Å; Y881-M985 HydrophobicContact CD2-SD 4.13Å; Y881-M985 HydrophobicContact CE2-CE 3.49Å; Y881-M985 VanDerWaalsContact CE2-CE 3.49Å; Y881-M985 HydrophobicContact CE2-SD 3.69Å
882	R	93	Very high	92.2	Very high	22 Å²	22	14 Å²	14	8%	0.083	8%	0.076	C	C	.	.	H	α-helix	trans	-66.8	-23.6	175.8	-67.5	-173.2	-39.7	-86.4	-3.5	114.2	I264 V274 N631 I632 D878 E879 R880	I264-R882 HydrophobicContact CD1-CG 4.26Å; I264-R882 HydrophobicContact CG2-CG 4.04Å; V274-R882 VanDerWaalsContact CG2-CD 3.48Å; N631-R882 WeakPolarHBondContact O-CD 3.27Å; N631-R882 PolarHBondContact O-NE 3.47Å; I632-R882 WeakPolarHBondContact CG1-O 3.39Å; I632-R882 PolarHBondContact O-NE 3.45Å; I632-R882 PolarHBondContact O-NH2 2.85Å; D878-R882 VanDerWaalsContact O-CG 3.27Å; D878-R882 WeakPolarHBondContact O-CG 3.5Å; D878-R882 PolarHBondContact O-N 3.4Å; D878-R882 PolarHBondContact O-NH1 3.23Å; E879-R882 PolarHBondContact O-N 2.56Å; R880-R882 PolarHBondContact O-N 3.41Å
883	A	92.8	Very high	92.5	Very high	4 Å²	4	12.9 Å²	12.9	3%	0.033	7%	0.07	C	C	.	.	H	α-helix	trans	-75.1	-37.5	172.9	0	0	0	0	0	112.1	Y483 I632 E879 R880 Y881 L885 G886 F888	Y483-A883 HydrophobicContact CD1-CB 3.91Å; Y483-A883 HydrophobicContact CE1-CB 3.67Å; I632-A883 HydrophobicContact CD1-CB 3.95Å; I632-A883 HydrophobicContact CG1-CB 4.15Å; E879-A883 WeakPolarHBondContact O-CB 3.43Å; E879-A883 PolarHBondContact O-N 3.38Å; R880-A883 WeakPolarHBondContact O-CB 3.3Å; R880-A883 PolarHBondContact O-N 3.12Å; R880-A883 VanDerWaalsContact O-N 3.13Å; Y881-A883 VanDerWaalsContact C-N 3.27Å; Y881-A883 PolarHBondContact O-N 3.4Å; A883-L885 VanDerWaalsContact C-N 3.32Å; A883-G886 CarbonylContact O-C 3.45Å; A883-G886 PolarHBondContact O-N 3.27Å; A883-G886 VanDerWaalsContact O-N 3.12Å; A883-F888 HydrophobicContact CB-CB 4.43Å
884	A	90	Very high	92.5	Very high	7 Å²	7	13.3 Å²	13.3	6%	0.058	7%	0.072	C	C	.	.	H	α-helix	trans	-73.4	-18.5	174.3	0	0	0	0	0	114	R880 Y881 G886 M985	R880-A884 PolarHBondContact O-N 3.22Å; Y881-A884 PolarHBondContact O-N 3.18Å; A884-G886 PolarHBondContact O-N 3.45Å; A884-M985 HydrophobicContact CB-CB 3.88Å; A884-M985 HydrophobicContact CB-CE 3.97Å; A884-M985 HydrophobicContact CB-CG 4.31Å; A884-M985 VanDerWaalsContact CB-O 3.24Å; A884-M985 WeakPolarHBondContact CB-O 3.37Å
885	L	88.5	Confident	92.4	Very high	43 Å²	43	15.3 Å²	15.3	23%	0.225	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-1.6	164.8	-70	177.5	0	0	0	113.6	I264 Y881 A883 L963 M985	I264-L885 HydrophobicContact CD1-CD1 4.19Å; I264-L885 HydrophobicContact CG1-CD1 4.34Å; I264-L885 HydrophobicContact CG2-CD1 3.99Å; Y881-L885 HydrophobicContact CD1-CD1 4.46Å; Y881-L885 HydrophobicContact CE1-CD1 3.96Å; Y881-L885 PolarHBondContact O-N 3.04Å; Y881-L885 VanDerWaalsContact O-N 3.09Å; A883-L885 VanDerWaalsContact C-N 3.32Å; L885-L963 HydrophobicContact CD2-CD1 3.72Å; L885-L963 HydrophobicContact CD2-CD2 3.95Å; L885-L963 HydrophobicContact CD2-CG 4.38Å; L885-M985 HydrophobicContact CD2-CE 3.78Å; L885-M985 HydrophobicContact CG-CE 4.11Å
886	G	89	Confident	92.2	Very high	6 Å²	6	11.9 Å²	11.9	6%	0.062	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-147	-170.6	177.5	0	0	0	0	0	112	D628 A883 A884 F888 V955	D628-G886 WeakPolarHBondContact OD2-CA 3.44Å; A883-G886 CarbonylContact O-C 3.45Å; A883-G886 PolarHBondContact O-N 3.27Å; A883-G886 VanDerWaalsContact O-N 3.12Å; A884-G886 PolarHBondContact O-N 3.45Å; G886-F888 VanDerWaalsContact C-N 3.31Å; G886-F888 PolarHBondContact O-N 3.45Å; G886-V955 WeakPolarHBondContact O-CG1 3.3Å; G886-V955 WeakPolarHBondContact O-CG2 3.28Å
887	N	91.3	Very high	91.7	Very high	60 Å²	60	15.7 Å²	15.7	32%	0.321	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	30.1	-174.4	-56.1	-81.8	0	0	0	114.1	Y485 R486 D628	Y485-N887 HydrophobicContact CD2-CB 4.32Å; Y485-N887 HydrophobicContact CE1-CB 4.09Å; Y485-N887 HydrophobicContact CE2-CB 3.74Å; Y485-N887 PolarHBondContact OH-ND2 3.24Å; R486-N887 WeakPolarHBondContact CG-O 3.4Å; R486-N887 PolarHBondContact N-O 3.36Å; D628-N887 PolarHBondContact OD2-N 3.32Å
888	F	94.6	Very high	91.4	Very high	3 Å²	3	19.6 Å²	19.6	1%	0.013	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	110.1	179.1	-88.5	-73.6	0	0	0	112	F473 Y485 L587 D628 M629 I632 A883 G886	F473-F888 HydrophobicContact CB-CD1 4.09Å; F473-F888 HydrophobicContact CB-CE1 3.46Å; F473-F888 VanDerWaalsContact CB-CE1 3.46Å; F473-F888 HydrophobicContact CB-CZ 3.82Å; Y485-F888 AromaticContact CD2-CD1 3.86Å; Y485-F888 HydrophobicContact CD2-CD1 3.86Å; Y485-F888 AromaticContact CD2-CD2 3.48Å; Y485-F888 HydrophobicContact CD2-CD2 3.48Å; Y485-F888 VanDerWaalsContact CD2-CD2 3.48Å; Y485-F888 AromaticContact CD2-CE1 3.77Å; Y485-F888 HydrophobicContact CD2-CE1 3.77Å; Y485-F888 AromaticContact CD2-CE2 3.4Å; Y485-F888 HydrophobicContact CD2-CE2 3.4Å; Y485-F888 AromaticContact CD2-CG 3.73Å; Y485-F888 HydrophobicContact CD2-CG 3.73Å; Y485-F888 AromaticContact CD2-CZ 3.55Å; Y485-F888 HydrophobicContact CD2-CZ 3.55Å; Y485-F888 AromaticContact CE2-CD2 3.7Å; Y485-F888 HydrophobicContact CE2-CD2 3.7Å; Y485-F888 AromaticContact CE2-CE2 3.67Å; Y485-F888 HydrophobicContact CE2-CE2 3.67Å; Y485-F888 HydrophobicContact CE2-CG 4.31Å; Y485-F888 HydrophobicContact CE2-CZ 4.25Å; Y485-F888 HydrophobicContact CG-CE1 4.36Å; Y485-F888 HydrophobicContact CG-CZ 4.33Å; L587-F888 HydrophobicContact CD1-CZ 4.22Å; D628-F888 HydrophobicContact CB-CD2 3.8Å; D628-F888 HydrophobicContact CB-CE2 3.91Å; M629-F888 HydrophobicContact CB-CE2 4.16Å; M629-F888 HydrophobicContact CB-CZ 4.41Å; I632-F888 HydrophobicContact CD1-CB 3.56Å; I632-F888 HydrophobicContact CD1-CD2 3.3Å; I632-F888 HydrophobicContact CD1-CE2 4.13Å; I632-F888 HydrophobicContact CD1-CG 3.57Å; A883-F888 HydrophobicContact CB-CB 4.43Å; G886-F888 VanDerWaalsContact C-N 3.31Å; G886-F888 PolarHBondContact O-N 3.45Å
889	Q	93.4	Very high	91.4	Very high	5 Å²	5	19.1 Å²	19.1	2%	0.023	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	134.6	171.1	171.6	173.4	55.2	0	0	111	Y483 V484 R486 I891 C951 D952	Y483-Q889 CarbonylContact C-O 3.35Å; Y483-Q889 WeakPolarHBondContact CA-O 3.49Å; Y483-Q889 WeakPolarHBondContact CB-O 3.46Å; V484-Q889 HydrophobicContact CG1-CB 4.04Å; V484-Q889 HydrophobicContact CG1-CG 4.33Å; V484-Q889 PolarHBondContact N-O 3.02Å; V484-Q889 PolarHBondContact O-N 2.63Å; R486-Q889 HydrophobicContact CG-CB 4.34Å; Q889-I891 PolarHBondContact O-N 2.96Å; Q889-C951 HydrophobicContact CG-CB 3.96Å; Q889-C951 WeakPolarHBondContact CG-O 3.18Å; Q889-C951 PolarHBondContact NE2-O 3.32Å; Q889-D952 PolarHBondContact NE2-OD1 2.95Å
890	C	95.2	Very high	91	Very high	7 Å²	7	20.9 Å²	20.9	5%	0.047	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	128.6	173.2	-165.8	0	0	0	0	111.2	Y483 P893	Y483-C890 HydrophobicContact CD1-CB 4.05Å; Y483-C890 HydrophobicContact CE1-CB 3.97Å; C890-P893 PolarHBondContact SG-O 3.27Å
891	I	96	Very high	90.7	Very high	3 Å²	3	27 Å²	27	2%	0.015	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-50.3	170.8	-58.3	162.9	0	0	0	109.3	V472 A482 V484 V556 I559 F560 Q889 V894 M902	V472-I891 HydrophobicContact CG1-CD1 3.98Å; A482-I891 HydrophobicContact CB-CB 4.31Å; A482-I891 HydrophobicContact CB-CD1 4.15Å; A482-I891 WeakPolarHBondContact O-CB 3.32Å; A482-I891 PolarHBondContact O-N 2.75Å; V484-I891 HydrophobicContact CB-CD1 4.02Å; V484-I891 HydrophobicContact CB-CG1 4.11Å; V484-I891 HydrophobicContact CG1-CG1 4.06Å; V556-I891 HydrophobicContact CG1-CB 4.5Å; V556-I891 HydrophobicContact CG1-CG1 4.41Å; V556-I891 HydrophobicContact CG1-CG2 3.97Å; I559-I891 HydrophobicContact CB-CD1 4.49Å; I559-I891 HydrophobicContact CG2-CD1 3.65Å; F560-I891 HydrophobicContact CB-CG2 3.85Å; F560-I891 HydrophobicContact CD2-CG2 4.4Å; Q889-I891 PolarHBondContact O-N 2.96Å; I891-V894 WeakPolarHBondContact O-CG1 3.24Å; I891-M902 HydrophobicContact CG2-CE 4.27Å; I891-M902 VanDerWaalsContact O-CE 3.27Å; I891-M902 WeakPolarHBondContact O-CE 3.06Å
892	F	95.4	Very high	90.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	141	-177.1	-175.6	-88.4	0	0	0	109.4	L480 R481 A482 F560 M902 L903 L906 D930	L480-F892 HydrophobicContact CB-CD1 3.91Å; L480-F892 HydrophobicContact CB-CE1 4.04Å; L480-F892 HydrophobicContact CD2-CD1 3.95Å; L480-F892 HydrophobicContact CD2-CE1 4.48Å; L480-F892 HydrophobicContact CD2-CG 4.45Å; L480-F892 HydrophobicContact CG-CD1 3.86Å; L480-F892 HydrophobicContact CG-CE1 4.45Å; L480-F892 VanDerWaalsContact O-CD1 3.28Å; L480-F892 WeakPolarHBondContact O-CD1 3.39Å; R481-F892 WeakPolarHBondContact CA-O 3.31Å; A482-F892 PolarHBondContact N-O 2.92Å; A482-F892 PolarHBondContact O-N 3.22Å; F560-F892 HydrophobicContact CD2-CB 3.93Å; F560-F892 HydrophobicContact CD2-CD2 4.34Å; F560-F892 HydrophobicContact CD2-CG 4.23Å; F560-F892 HydrophobicContact CE2-CB 3.96Å; F560-F892 HydrophobicContact CE2-CD1 4.42Å; F560-F892 AromaticContact CE2-CD2 3.65Å; F560-F892 HydrophobicContact CE2-CD2 3.65Å; F560-F892 HydrophobicContact CE2-CE2 4.29Å; F560-F892 AromaticContact CE2-CG 3.73Å; F560-F892 HydrophobicContact CE2-CG 3.73Å; F560-F892 HydrophobicContact CZ-CD2 4.24Å; F892-M902 HydrophobicContact CB-CE 4.3Å; F892-M902 HydrophobicContact CD2-CB 3.93Å; F892-M902 HydrophobicContact CD2-CE 4.28Å; F892-M902 HydrophobicContact CE2-CB 4.06Å; F892-L903 HydrophobicContact CZ-CD1 4.06Å; F892-L906 HydrophobicContact CE1-CD2 3.9Å; F892-L906 HydrophobicContact CZ-CD2 3.92Å; F892-D930 HydrophobicContact CE1-CB 4.33Å; F892-D930 HydrophobicContact CZ-CB 4.31Å
893	P	94.4	Very high	90.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.141	C	C	.	.	S	Bend	cis	-73.6	155.1	0.1	32.1	-38.2	0	0	0	113.2	L876 R880 C890 Q933 L937	L876-P893 HydrophobicContact CD1-CG 3.74Å; R880-P893 PolarHBondContact NH2-O 2.65Å; C890-P893 PolarHBondContact SG-O 3.27Å; P893-Q933 HydrophobicContact CB-CB 4.25Å; P893-Q933 HydrophobicContact CG-CB 4Å; P893-L937 HydrophobicContact CB-CD1 4.05Å; P893-L937 HydrophobicContact CG-CD1 3.92Å
894	V	91.8	Very high	90.1	Very high	8 Å²	8	28.7 Å²	28.7	5%	0.048	15%	0.153	C	C	.	.			trans	-136.6	165.9	170.1	-58	0	0	0	0	109.5	I891 K898 G899 M902 Y934	I891-V894 WeakPolarHBondContact O-CG1 3.24Å; V894-K898 HydrophobicContact CG2-CG 4.42Å; V894-G899 VanDerWaalsContact O-CA 3.27Å; V894-G899 WeakPolarHBondContact O-CA 3.39Å; V894-M902 HydrophobicContact CG2-SD 3.82Å; V894-Y934 WeakPolarHBondContact O-CD2 3.45Å
895	H	89.3	Confident	90.1	Very high	49 Å²	49	29.2 Å²	29.2	23%	0.227	15%	0.154	C	C	.	.			trans	-91.9	173.3	-174.3	61.5	103	0	0	0	112.9	G899 L937 H941	H895-G899 PolarHBondContact O-N 3.1Å; H895-L937 HydrophobicContact CB-CB 4.13Å; H895-L937 WeakPolarHBondContact CB-O 3.18Å; H895-H941 AromaticContact CD2-CD2 3.6Å; H895-H941 AromaticContact CD2-NE2 3.84Å; H895-H941 AromaticContact CE1-CD2 3.49Å; H895-H941 PolarHBondContact CE1-CD2 3.41Å; H895-H941 VanDerWaalsContact CE1-CD2 3.49Å; H895-H941 AromaticContact CE1-CE1 3.49Å; H895-H941 PolarHBondContact CE1-CE1 3.04Å; H895-H941 VanDerWaalsContact CE1-CE1 3.49Å; H895-H941 AromaticContact CE1-CG 3.8Å; H895-H941 AromaticContact CE1-ND1 3.77Å; H895-H941 AromaticContact CE1-NE2 3.31Å; H895-H941 PolarHBondContact CE1-NE2 2.8Å; H895-H941 VanDerWaalsContact CE1-NE2 3.31Å; H895-H941 AromaticContact CG-CD2 3.6Å; H895-H941 AromaticContact CG-CG 3.98Å; H895-H941 AromaticContact ND1-CD2 3.51Å; H895-H941 AromaticContact ND1-CG 3.56Å; H895-H941 AromaticContact ND1-ND1 3.87Å; H895-H941 AromaticContact ND1-NE2 3.84Å; H895-H941 AromaticContact NE2-CD2 3.6Å; H895-H941 AromaticContact NE2-CE1 3.96Å; H895-H941 AromaticContact NE2-NE2 3.35Å; H895-H941 PolarHBondContact NE2-NE2 3.02Å
896	G	85	Confident	90.1	Very high	9 Å²	9	27.1 Å²	27.1	9%	0.093	14%	0.143	C	C	.	.	H	α-helix	trans	65.2	-157.6	165.4	0	0	0	0	0	115	K898 G899 Y900 Y934 T938	G896-K898 PolarHBondContact O-N 2.78Å; G896-G899 PolarHBondContact O-N 3.44Å; G896-G899 VanDerWaalsContact O-N 3.12Å; G896-Y900 PolarHBondContact O-N 3.01Å; G896-Y934 WeakPolarHBondContact O-CE2 3.42Å; G896-T938 PolarHBondContact N-OG1 3Å; G896-T938 VanDerWaalsContact N-OG1 3.16Å
897	S	81.9	Confident	89.9	Confident	80 Å²	80	29 Å²	29	56%	0.559	15%	0.15	S	C	*	.	H	α-helix	trans	-59.1	-42.3	-173.3	56.7	0	0	0	0	113.4	Y900 Q901	S897-Y900 PolarHBondContact O-N 3.4Å; S897-Q901 VanDerWaalsContact O-CG 3.31Å; S897-Q901 WeakPolarHBondContact O-CG 3.02Å; S897-Q901 PolarHBondContact O-N 3.37Å
898	K	87.4	Confident	89.4	Confident	81 Å²	81	27.5 Å²	27.5	35%	0.352	15%	0.149	S	C	.	.	H	α-helix	trans	-63.5	-45.3	174.3	-173.4	172.1	-177.3	171.9	0	111.1	S553 V894 G896 Y900 Q901 M902	S553-K898 PolarHBondContact OG-NZ 3.21Å; V894-K898 HydrophobicContact CG2-CG 4.42Å; G896-K898 PolarHBondContact O-N 2.78Å; K898-Y900 PolarHBondContact O-N 2.77Å; K898-Q901 PolarHBondContact O-N 2.99Å; K898-M902 HydrophobicContact CG-SD 3.94Å; K898-M902 VanDerWaalsContact O-CG 3.23Å; K898-M902 WeakPolarHBondContact O-CG 3.2Å; K898-M902 PolarHBondContact O-N 3.3Å
899	G	89.9	Confident	89	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-57.6	-46.4	175.3	0	0	0	0	0	112.7	V894 H895 G896 M902 L903	V894-G899 VanDerWaalsContact O-CA 3.27Å; V894-G899 WeakPolarHBondContact O-CA 3.39Å; H895-G899 PolarHBondContact O-N 3.1Å; G896-G899 PolarHBondContact O-N 3.44Å; G896-G899 VanDerWaalsContact O-N 3.12Å; G899-M902 PolarHBondContact O-N 2.7Å; G899-L903 WeakPolarHBondContact O-CB 3.03Å; G899-L903 PolarHBondContact O-N 3.3Å
900	Y	85.2	Confident	88.2	Confident	46 Å²	46	28.9 Å²	28.9	18%	0.18	16%	0.155	C	C	.	.	H	α-helix	trans	-62.5	-49	176.9	176.3	-109	0	0	0	112.2	F829 G896 S897 K898 M902 L903 T904 Y934	F829-Y900 HydrophobicContact CB-CD1 4.18Å; F829-Y900 HydrophobicContact CB-CE1 3.53Å; F829-Y900 HydrophobicContact CB-CE2 4.24Å; F829-Y900 HydrophobicContact CD1-CD1 4.28Å; F829-Y900 AromaticContact CD1-CD2 3.56Å; F829-Y900 HydrophobicContact CD1-CD2 3.56Å; F829-Y900 HydrophobicContact CD1-CE1 4.06Å; F829-Y900 AromaticContact CD1-CE2 3.3Å; F829-Y900 HydrophobicContact CD1-CE2 3.3Å; F829-Y900 HydrophobicContact CD1-CG 4.08Å; F829-Y900 AromaticContact CD1-CZ 3.6Å; F829-Y900 HydrophobicContact CD2-CE1 4.19Å; F829-Y900 AromaticContact CD2-CE2 3.56Å; F829-Y900 HydrophobicContact CD2-CE2 3.56Å; F829-Y900 AromaticContact CD2-CZ 3.32Å; F829-Y900 WeakPolarHBondContact CD2-OH 3.23Å; F829-Y900 AromaticContact CE1-CD2 3.68Å; F829-Y900 HydrophobicContact CE1-CD2 3.68Å; F829-Y900 AromaticContact CE1-CE2 3.41Å; F829-Y900 HydrophobicContact CE1-CE2 3.41Å; F829-Y900 VanDerWaalsContact CE1-CE2 3.41Å; F829-Y900 AromaticContact CE2-CE2 3.67Å; F829-Y900 HydrophobicContact CE2-CE2 3.67Å; F829-Y900 AromaticContact CE2-CZ 3.89Å; F829-Y900 HydrophobicContact CG-CD1 4.3Å; F829-Y900 HydrophobicContact CG-CD2 4.08Å; F829-Y900 AromaticContact CG-CE1 3.66Å; F829-Y900 HydrophobicContact CG-CE1 3.66Å; F829-Y900 AromaticContact CG-CE2 3.4Å; F829-Y900 HydrophobicContact CG-CE2 3.4Å; F829-Y900 VanDerWaalsContact CG-CE2 3.4Å; F829-Y900 AromaticContact CG-CZ 3.18Å; F829-Y900 WeakPolarHBondContact CG-OH 3.37Å; F829-Y900 HydrophobicContact CZ-CD2 4.29Å; F829-Y900 AromaticContact CZ-CE2 3.62Å; F829-Y900 HydrophobicContact CZ-CE2 3.62Å; G896-Y900 PolarHBondContact O-N 3.01Å; S897-Y900 PolarHBondContact O-N 3.4Å; K898-Y900 PolarHBondContact O-N 2.77Å; Y900-M902 VanDerWaalsContact C-N 3.25Å; Y900-M902 PolarHBondContact O-N 2.99Å; Y900-L903 WeakPolarHBondContact O-CA 3.41Å; Y900-L903 WeakPolarHBondContact O-CB 3.33Å; Y900-L903 PolarHBondContact O-N 2.76Å; Y900-T904 WeakPolarHBondContact CE1-OG1 3.41Å; Y900-T904 VanDerWaalsContact CE2-OG1 3.3Å; Y900-T904 WeakPolarHBondContact CE2-OG1 3.35Å; Y900-T904 PolarHBondContact O-N 3.12Å; Y900-T904 PolarHBondContact O-OG1 3.22Å; Y900-T904 PolarHBondContact OH-OG1 3.37Å; Y900-Y934 VanDerWaalsContact N-CE2 3.34Å
901	Q	88.4	Confident	86.7	Confident	134 Å²	134	31.5 Å²	31.5	63%	0.626	17%	0.166	S	C	*	.	H	α-helix	trans	-56.4	-40.7	177.5	-72.7	172.5	11.8	0	0	112.2	S897 K898 F905	S897-Q901 VanDerWaalsContact O-CG 3.31Å; S897-Q901 WeakPolarHBondContact O-CG 3.02Å; S897-Q901 PolarHBondContact O-N 3.37Å; K898-Q901 PolarHBondContact O-N 2.99Å; Q901-F905 WeakPolarHBondContact O-CB 3.12Å; Q901-F905 PolarHBondContact O-N 3.34Å
902	M	92.7	Very high	84.5	Confident	14 Å²	14	39 Å²	39	7%	0.069	20%	0.201	C	C	.	.	H	α-helix	trans	-67.3	-42	175.7	-67.1	172.2	83.5	0	0	111.4	F560 I891 F892 V894 K898 G899 Y900 F905 L906	F560-M902 HydrophobicContact CB-CE 3.75Å; F560-M902 HydrophobicContact CD1-CB 4.35Å; F560-M902 HydrophobicContact CD1-CE 3.74Å; F560-M902 HydrophobicContact CD1-CG 4.1Å; F560-M902 HydrophobicContact CD2-CE 3.46Å; F560-M902 VanDerWaalsContact CD2-CE 3.46Å; F560-M902 HydrophobicContact CE1-CB 3.71Å; F560-M902 HydrophobicContact CE1-CE 4.24Å; F560-M902 HydrophobicContact CE1-CG 3.94Å; F560-M902 HydrophobicContact CE2-CB 4.25Å; F560-M902 HydrophobicContact CE2-CE 3.99Å; F560-M902 HydrophobicContact CG-CE 3.33Å; F560-M902 HydrophobicContact CZ-CB 3.67Å; F560-M902 HydrophobicContact CZ-CE 4.36Å; F560-M902 HydrophobicContact CZ-CG 4.31Å; F560-M902 VanDerWaalsContact CZ-O 3.26Å; F560-M902 WeakPolarHBondContact CZ-O 3.32Å; I891-M902 HydrophobicContact CG2-CE 4.27Å; I891-M902 VanDerWaalsContact O-CE 3.27Å; I891-M902 WeakPolarHBondContact O-CE 3.06Å; F892-M902 HydrophobicContact CB-CE 4.3Å; F892-M902 HydrophobicContact CD2-CB 3.93Å; F892-M902 HydrophobicContact CD2-CE 4.28Å; F892-M902 HydrophobicContact CE2-CB 4.06Å; V894-M902 HydrophobicContact CG2-SD 3.82Å; K898-M902 HydrophobicContact CG-SD 3.94Å; K898-M902 VanDerWaalsContact O-CG 3.23Å; K898-M902 WeakPolarHBondContact O-CG 3.2Å; K898-M902 PolarHBondContact O-N 3.3Å; G899-M902 PolarHBondContact O-N 2.7Å; Y900-M902 VanDerWaalsContact C-N 3.25Å; Y900-M902 PolarHBondContact O-N 2.99Å; M902-F905 PolarHBondContact O-N 2.9Å; M902-L906 WeakPolarHBondContact O-CB 3.42Å; M902-L906 PolarHBondContact O-N 3.17Å
903	L	88.6	Confident	81.8	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.7	-48.2	176.5	-167.6	72.4	0	0	0	111.9	M817 F892 G899 Y900 F905 L906 Q907 Y927 D930 I931 Y934	M817-L903 HydrophobicContact CE-CD2 4.37Å; M817-L903 HydrophobicContact SD-CD2 4.11Å; F892-L903 HydrophobicContact CZ-CD1 4.06Å; G899-L903 WeakPolarHBondContact O-CB 3.03Å; G899-L903 PolarHBondContact O-N 3.3Å; Y900-L903 WeakPolarHBondContact O-CA 3.41Å; Y900-L903 WeakPolarHBondContact O-CB 3.33Å; Y900-L903 PolarHBondContact O-N 2.76Å; L903-F905 VanDerWaalsContact C-N 3.29Å; L903-F905 PolarHBondContact O-N 3.43Å; L903-L906 WeakPolarHBondContact O-CB 3.26Å; L903-L906 PolarHBondContact O-N 3.34Å; L903-L906 VanDerWaalsContact O-N 3.15Å; L903-Q907 PolarHBondContact O-N 3.23Å; L903-Y927 HydrophobicContact CD1-CD2 4.3Å; L903-Y927 HydrophobicContact CD1-CE2 3.55Å; L903-Y927 HydrophobicContact CG-CE2 3.72Å; L903-Y927 WeakPolarHBondContact CG-OH 3.35Å; L903-Y927 WeakPolarHBondContact O-CE2 3.34Å; L903-Y927 PolarHBondContact O-OH 3.29Å; L903-D930 HydrophobicContact CD1-CB 3.77Å; L903-I931 HydrophobicContact CD1-CG1 4.44Å; L903-I931 HydrophobicContact CD2-CG1 4.16Å; L903-Y934 HydrophobicContact CD2-CD1 3.66Å; L903-Y934 HydrophobicContact CD2-CE1 4.43Å; L903-Y934 HydrophobicContact CD2-CG 3.82Å
904	T	84.9	Confident	78.9	Confident	47 Å²	47	49.5 Å²	49.5	29%	0.288	26%	0.262	S	S	.	.	H	α-helix	trans	-61.3	-36.4	174.6	-41	0	0	0	0	112.3	Y900 Q907 G908	Y900-T904 WeakPolarHBondContact CE1-OG1 3.41Å; Y900-T904 VanDerWaalsContact CE2-OG1 3.3Å; Y900-T904 WeakPolarHBondContact CE2-OG1 3.35Å; Y900-T904 PolarHBondContact O-N 3.12Å; Y900-T904 PolarHBondContact O-OG1 3.22Å; Y900-T904 PolarHBondContact OH-OG1 3.37Å; T904-Q907 WeakPolarHBondContact O-CB 3.4Å; T904-Q907 PolarHBondContact O-N 3Å; T904-G908 PolarHBondContact O-N 3.39Å
905	F	89.4	Confident	76.1	Confident	18 Å²	18	56.9 Å²	56.9	8%	0.079	29%	0.294	C	S	.	.	H	α-helix	trans	-67.7	-42.1	174.9	-174.4	-86	0	0	0	111.5	L369 F373 I378 F560 K561 Q901 M902 L903 Q907 G908 A909	L369-F905 HydrophobicContact CD1-CE1 4.42Å; L369-F905 HydrophobicContact CD1-CZ 4.22Å; L369-F905 HydrophobicContact CD2-CE1 3.95Å; L369-F905 HydrophobicContact CD2-CZ 3.7Å; L369-F905 HydrophobicContact CG-CE1 4.48Å; L369-F905 HydrophobicContact CG-CZ 3.97Å; F373-F905 HydrophobicContact CB-CE2 4.22Å; F373-F905 AromaticContact CD1-CD2 3.8Å; F373-F905 HydrophobicContact CD1-CD2 3.8Å; F373-F905 AromaticContact CD1-CE2 3.79Å; F373-F905 HydrophobicContact CD1-CE2 3.79Å; F373-F905 HydrophobicContact CD2-CD2 4.37Å; F373-F905 AromaticContact CD2-CE2 3.74Å; F373-F905 HydrophobicContact CD2-CE2 3.74Å; F373-F905 HydrophobicContact CD2-CZ 4.03Å; F373-F905 AromaticContact CE1-CD2 3.66Å; F373-F905 HydrophobicContact CE1-CD2 3.66Å; F373-F905 AromaticContact CE1-CE2 3.99Å; F373-F905 HydrophobicContact CE1-CE2 3.99Å; F373-F905 HydrophobicContact CE1-CG 4.31Å; F373-F905 HydrophobicContact CE2-CD2 4.24Å; F373-F905 AromaticContact CE2-CE2 3.95Å; F373-F905 HydrophobicContact CE2-CE2 3.95Å; F373-F905 HydrophobicContact CE2-CZ 4.13Å; F373-F905 HydrophobicContact CG-CD2 4.15Å; F373-F905 AromaticContact CG-CE2 3.64Å; F373-F905 HydrophobicContact CG-CE2 3.64Å; F373-F905 HydrophobicContact CG-CZ 4.38Å; F373-F905 AromaticContact CZ-CD2 3.88Å; F373-F905 HydrophobicContact CZ-CD2 3.88Å; F373-F905 HydrophobicContact CZ-CE2 4.05Å; F373-F905 HydrophobicContact CZ-CG 4.22Å; F373-F905 VanDerWaalsContact CZ-O 3.24Å; F373-F905 WeakPolarHBondContact CZ-O 3.47Å; I378-F905 HydrophobicContact CD1-CE2 4.46Å; I378-F905 HydrophobicContact CD1-CZ 4Å; F560-F905 HydrophobicContact CD1-CD1 4.49Å; F560-F905 HydrophobicContact CE1-CB 4.26Å; F560-F905 AromaticContact CE1-CD1 3.79Å; F560-F905 HydrophobicContact CE1-CD1 3.79Å; F560-F905 HydrophobicContact CE1-CG 4.34Å; K561-F905 HydrophobicContact CB-CE1 4.04Å; K561-F905 HydrophobicContact CB-CZ 4.07Å; K561-F905 HydrophobicContact CD-CE2 4.35Å; K561-F905 HydrophobicContact CD-CZ 4.18Å; K561-F905 HydrophobicContact CG-CD1 4.27Å; K561-F905 HydrophobicContact CG-CE1 3.71Å; K561-F905 HydrophobicContact CG-CE2 4.2Å; K561-F905 HydrophobicContact CG-CZ 3.67Å; Q901-F905 WeakPolarHBondContact O-CB 3.12Å; Q901-F905 PolarHBondContact O-N 3.34Å; M902-F905 PolarHBondContact O-N 2.9Å; L903-F905 VanDerWaalsContact C-N 3.29Å; L903-F905 PolarHBondContact O-N 3.43Å; F905-Q907 VanDerWaalsContact C-N 3.3Å; F905-Q907 PolarHBondContact O-N 3.28Å; F905-G908 PolarHBondContact O-N 2.87Å; F905-A909 WeakPolarHBondContact O-CB 3.24Å; F905-A909 PolarHBondContact O-N 3.38Å
906	L	89.4	Confident	73	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-61.2	-40	175.9	-164.1	65.9	0	0	0	111.2	L480 F560 V567 F892 M902 L903 G908 A909 Y910 D930	L480-L906 HydrophobicContact CB-CD2 4.24Å; L480-L906 HydrophobicContact CD2-CD1 3.7Å; L480-L906 HydrophobicContact CD2-CD2 4.21Å; F560-L906 HydrophobicContact CZ-CB 4.3Å; F560-L906 HydrophobicContact CZ-CD1 4.48Å; V567-L906 HydrophobicContact CB-CD1 4.27Å; V567-L906 HydrophobicContact CG1-CD1 4Å; V567-L906 HydrophobicContact CG2-CD1 4.23Å; F892-L906 HydrophobicContact CE1-CD2 3.9Å; F892-L906 HydrophobicContact CZ-CD2 3.92Å; M902-L906 WeakPolarHBondContact O-CB 3.42Å; M902-L906 PolarHBondContact O-N 3.17Å; L903-L906 WeakPolarHBondContact O-CB 3.26Å; L903-L906 PolarHBondContact O-N 3.34Å; L903-L906 VanDerWaalsContact O-N 3.15Å; L906-G908 PolarHBondContact O-N 2.75Å; L906-A909 CarbonylContact O-C 3.59Å; L906-A909 WeakPolarHBondContact O-CA 3.31Å; L906-A909 WeakPolarHBondContact O-CB 3.26Å; L906-A909 PolarHBondContact O-N 3.26Å; L906-A909 VanDerWaalsContact O-N 3.1Å; L906-Y910 HydrophobicContact CD2-CE2 4.09Å; L906-Y910 HydrophobicContact CG-CD2 4.22Å; L906-Y910 HydrophobicContact CG-CE2 3.79Å; L906-Y910 VanDerWaalsContact O-CD2 3.26Å; L906-Y910 WeakPolarHBondContact O-CD2 3.36Å; L906-Y910 PolarHBondContact O-N 2.97Å; L906-D930 HydrophobicContact CD2-CB 4.17Å; L906-D930 WeakPolarHBondContact CD2-OD2 3.41Å
907	Q	83.9	Confident	70.2	Confident	46 Å²	46	60.7 Å²	60.7	22%	0.215	35%	0.346	C	S	.	.	H	α-helix	trans	-54.7	-48.4	174.7	-166.5	176.4	-69.4	0	0	113.3	M817 T818 L903 T904 F905 A909 Y910 Y927	M817-Q907 PolarHBondContact O-NE2 2.95Å; M817-Q907 PolarHBondContact O-OE1 2.96Å; T818-Q907 HydrophobicContact CG2-CG 4.06Å; L903-Q907 PolarHBondContact O-N 3.23Å; T904-Q907 WeakPolarHBondContact O-CB 3.4Å; T904-Q907 PolarHBondContact O-N 3Å; F905-Q907 VanDerWaalsContact C-N 3.3Å; F905-Q907 PolarHBondContact O-N 3.28Å; Q907-A909 VanDerWaalsContact C-N 3.32Å; Q907-Y910 WeakPolarHBondContact O-CB 3.31Å; Q907-Y910 PolarHBondContact O-N 2.87Å; Q907-Y927 HydrophobicContact CB-CE1 4Å; Q907-Y927 HydrophobicContact CB-CE2 4.03Å; Q907-Y927 HydrophobicContact CG-CD1 4.33Å; Q907-Y927 HydrophobicContact CG-CE1 3.65Å; Q907-Y927 PolarHBondContact OE1-OH 2.86Å
908	G	81.3	Confident	67.6	Low	28 Å²	28	61.9 Å²	61.9	29%	0.289	35%	0.351	S	S	.	.	H	α-helix	trans	-78.6	-14.5	177.6	0	0	0	0	0	114.1	R372 T904 F905 L906	R372-G908 WeakPolarHBondContact CD-O 3.26Å; R372-G908 PolarHBondContact NH1-O 3.16Å; T904-G908 PolarHBondContact O-N 3.39Å; F905-G908 PolarHBondContact O-N 2.87Å; L906-G908 PolarHBondContact O-N 2.75Å
909	A	86	Confident	64.6	Low	5 Å²	5	65.9 Å²	65.9	4%	0.041	38%	0.375	C	S	.	.	H	α-helix	trans	-80	-30.4	169	0	0	0	0	0	112	L369 F905 L906 Q907 Q911	L369-A909 HydrophobicContact CD1-CB 3.71Å; F905-A909 WeakPolarHBondContact O-CB 3.24Å; F905-A909 PolarHBondContact O-N 3.38Å; L906-A909 CarbonylContact O-C 3.59Å; L906-A909 WeakPolarHBondContact O-CA 3.31Å; L906-A909 WeakPolarHBondContact O-CB 3.26Å; L906-A909 PolarHBondContact O-N 3.26Å; L906-A909 VanDerWaalsContact O-N 3.1Å; Q907-A909 VanDerWaalsContact C-N 3.32Å; A909-Q911 PolarHBondContact O-N 2.95Å
910	Y	77.2	Confident	61.7	Low	31 Å²	31	69.2 Å²	69.2	12%	0.122	41%	0.409	C	S	.	.	S	Bend	trans	-56.5	136.9	167.7	-82.5	-68	0	0	0	110.4	R372 V567 S568 L906 Q907 F926 Y927 D930	R372-Y910 PolarHBondContact NH1-O 2.9Å; V567-Y910 HydrophobicContact CG1-CD1 4.05Å; V567-Y910 HydrophobicContact CG1-CE1 3.94Å; V567-Y910 HydrophobicContact CG1-CE2 4.49Å; V567-Y910 HydrophobicContact CG1-CG 4.35Å; V567-Y910 HydrophobicContact CG2-CE1 3.89Å; V567-Y910 WeakPolarHBondContact CG2-OH 3.44Å; S568-Y910 VanDerWaalsContact OG-CA 3.27Å; S568-Y910 WeakPolarHBondContact OG-CA 3.5Å; S568-Y910 WeakPolarHBondContact OG-CD1 3.35Å; L906-Y910 HydrophobicContact CD2-CE2 4.09Å; L906-Y910 HydrophobicContact CG-CD2 4.22Å; L906-Y910 HydrophobicContact CG-CE2 3.79Å; L906-Y910 VanDerWaalsContact O-CD2 3.26Å; L906-Y910 WeakPolarHBondContact O-CD2 3.36Å; L906-Y910 PolarHBondContact O-N 2.97Å; Q907-Y910 WeakPolarHBondContact O-CB 3.31Å; Q907-Y910 PolarHBondContact O-N 2.87Å; Y910-F926 HydrophobicContact CE1-CB 3.64Å; Y910-F926 HydrophobicContact CE1-CD2 4.36Å; Y910-F926 HydrophobicContact CE1-CG 4.28Å; Y910-Y927 HydrophobicContact CD2-CD2 4.11Å; Y910-Y927 HydrophobicContact CD2-CG 4.26Å; Y910-Y927 AromaticContact CE2-CD2 3.9Å; Y910-Y927 HydrophobicContact CE2-CD2 3.9Å; Y910-Y927 HydrophobicContact CE2-CG 4.22Å; Y910-D930 PolarHBondContact OH-OD2 2.98Å
911	Q	62.4	Low	59.1	Low	62 Å²	62	71 Å²	71	29%	0.29	43%	0.429	S	S	.	.			trans	-108.5	125.7	-177.5	-49.4	-156.8	-2.9	0	0	109.7	S568 A909 N913	S568-Q911 PolarHBondContact OG-N 2.77Å; A909-Q911 PolarHBondContact O-N 2.95Å; Q911-N913 PolarHBondContact O-N 3.29Å; Q911-N913 VanDerWaalsContact O-N 3.16Å
912	E	50.7	Low	56.5	Low	161 Å²	161	74.2 Å²	74.2	75%	0.752	44%	0.435	S	S	*	.			trans	-55.8	119.5	152.6	-71.6	179.9	-170.6	0	0	107.1	T914	E912-T914 PolarHBondContact O-N 3.03Å
913	N	39	Very low	54.1	Low	98 Å²	98	76.4 Å²	76.4	52%	0.524	45%	0.452	S	S	.	.			trans	-69.3	90	-167.5	-93.9	-39.8	0	0	0	111.3	Q911 F915	Q911-N913 PolarHBondContact O-N 3.29Å; Q911-N913 VanDerWaalsContact O-N 3.16Å; N913-F915 PolarHBondContact O-N 2.95Å
914	T	32.3	Very low	52.1	Low	123 Å²	123	77.3 Å²	77.3	76%	0.755	46%	0.458	S	S	*	.			trans	-73.1	15	176.4	38.8	0	0	0	0	114	E912	E912-T914 PolarHBondContact O-N 3.03Å
915	F	32.6	Very low	50.8	Low	162 Å²	162	76.2 Å²	76.2	71%	0.711	45%	0.452	S	S	*	.	S	Bend	trans	-109.2	113	161.3	-82.3	-87.8	0	0	0	108.7	N913 G917	N913-F915 PolarHBondContact O-N 2.95Å; F915-G917 PolarHBondContact O-N 2.91Å
916	G	24.8	Very low	49.6	Very low	77 Å²	77	77.1 Å²	77.1	79%	0.794	46%	0.456	S	S	*	.			trans	-58.5	104.9	-162.8	0	0	0	0	0	115.7
917	G	26.9	Very low	49.2	Very low	61 Å²	61	77.6 Å²	77.6	63%	0.629	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-97.3	146.7	152.6	0	0	0	0	0	109.9	F915	F915-G917 PolarHBondContact O-N 2.91Å
918	T	26.5	Very low	49.4	Very low	106 Å²	106	75.4 Å²	75.4	65%	0.65	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-55.2	137.2	-177	40.6	0	0	0	0	114.1	G920	T918-G920 PolarHBondContact O-N 3.33Å; T918-G920 VanDerWaalsContact O-N 3.13Å
919	L	24.6	Very low	49.7	Very low	165 Å²	165	74.7 Å²	74.7	86%	0.864	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.8	120.5	157.3	-85.1	68.9	0	0	0	108.7
920	G	28.9	Very low	49.9	Very low	70 Å²	70	74.5 Å²	74.5	72%	0.722	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	138	-28.1	177.8	0	0	0	0	0	115.2	T918 R922	T918-G920 PolarHBondContact O-N 3.33Å; T918-G920 VanDerWaalsContact O-N 3.13Å; G920-R922 PolarHBondContact O-N 2.85Å
921	S	31.3	Very low	50.5	Low	84 Å²	84	73 Å²	73	59%	0.587	43%	0.429	S	S	*	.			trans	-76.8	87.2	178.7	57.1	0	0	0	0	111.7	S923	S921-S923 PolarHBondContact O-N 2.98Å
922	R	33.9	Very low	51.9	Low	200 Å²	200	70 Å²	70	76%	0.755	42%	0.415	S	S	*	.			trans	-74.4	57.7	172.2	-64.4	-177	176.1	-173.8	-0.8	112.1	G920 P924	G920-R922 PolarHBondContact O-N 2.85Å; R922-P924 VanDerWaalsContact O-CD 3.25Å; R922-P924 WeakPolarHBondContact O-CD 3.44Å
923	S	42	Very low	53.9	Low	60 Å²	60	62.5 Å²	62.5	42%	0.42	38%	0.379	S	S	.	.			trans	-66.3	118.1	170.5	55.8	0	0	0	0	109	S921 S925	S921-S923 PolarHBondContact O-N 2.98Å; S923-S925 PolarHBondContact O-N 3.03Å
924	P	46	Very low	56.5	Low	19 Å²	19	58.1 Å²	58.1	12%	0.123	36%	0.356	C	S	.	.			trans	-55.9	134.7	174.2	-25.3	37.2	0	0	0	109.7	D799 L802 K807 H810 R922 F926	D799-P924 WeakPolarHBondContact OD1-CD 3.49Å; L802-P924 HydrophobicContact CD1-CG 3.97Å; K807-P924 HydrophobicContact CB-CG 4.47Å; K807-P924 HydrophobicContact CD-CG 4.45Å; K807-P924 HydrophobicContact CG-CG 3.88Å; H810-P924 HydrophobicContact CB-CB 4.05Å; R922-P924 VanDerWaalsContact O-CD 3.25Å; R922-P924 WeakPolarHBondContact O-CD 3.44Å; P924-F926 PolarHBondContact O-N 3.26Å
925	S	56.8	Low	59.3	Low	25 Å²	25	52.4 Å²	52.4	18%	0.175	32%	0.321	C	S	.	.			trans	-42.5	123.7	-176.8	19.4	0	0	0	0	112.4	T814 S923 Y927 Y928	T814-S925 WeakPolarHBondContact CB-OG 3.5Å; T814-S925 WeakPolarHBondContact CG2-OG 3.32Å; T814-S925 PolarHBondContact OG1-OG 3.05Å; S923-S925 PolarHBondContact O-N 3.03Å; S925-Y927 PolarHBondContact O-N 3.09Å; S925-Y928 WeakPolarHBondContact O-CB 3.48Å; S925-Y928 PolarHBondContact O-N 3.01Å
926	F	65.7	Low	62.2	Low	37 Å²	37	44.9 Å²	44.9	16%	0.162	29%	0.288	C	S	.	.	H	α-helix	trans	-46.9	-34.1	169	-61.1	-79.1	0	0	0	112.2	S478 A571 D575 Y910 P924	S478-F926 WeakPolarHBondContact OG-CD1 3.32Å; S478-F926 PolarHBondContact OG-O 2.67Å; A571-F926 HydrophobicContact CB-CD1 3.85Å; A571-F926 HydrophobicContact CB-CE1 3.89Å; A571-F926 HydrophobicContact CB-CG 4.36Å; A571-F926 HydrophobicContact CB-CZ 4.45Å; D575-F926 WeakPolarHBondContact OD2-CE1 3.37Å; Y910-F926 HydrophobicContact CE1-CB 3.64Å; Y910-F926 HydrophobicContact CE1-CD2 4.36Å; Y910-F926 HydrophobicContact CE1-CG 4.28Å; P924-F926 PolarHBondContact O-N 3.26Å
927	Y	81.3	Confident	65.4	Low	9 Å²	9	41.3 Å²	41.3	4%	0.035	25%	0.25	C	S	.	.	H	α-helix	trans	-69.2	-21.8	178.8	-174.6	-128.2	0	0	0	115.6	T814 M817 L903 Q907 Y910 S925 Y929 D930 I931	T814-Y927 HydrophobicContact CG2-CD1 4.33Å; M817-Y927 HydrophobicContact CB-CE1 3.98Å; L903-Y927 HydrophobicContact CD1-CD2 4.3Å; L903-Y927 HydrophobicContact CD1-CE2 3.55Å; L903-Y927 HydrophobicContact CG-CE2 3.72Å; L903-Y927 WeakPolarHBondContact CG-OH 3.35Å; L903-Y927 WeakPolarHBondContact O-CE2 3.34Å; L903-Y927 PolarHBondContact O-OH 3.29Å; Q907-Y927 HydrophobicContact CB-CE1 4Å; Q907-Y927 HydrophobicContact CB-CE2 4.03Å; Q907-Y927 HydrophobicContact CG-CD1 4.33Å; Q907-Y927 HydrophobicContact CG-CE1 3.65Å; Q907-Y927 PolarHBondContact OE1-OH 2.86Å; Y910-Y927 HydrophobicContact CD2-CD2 4.11Å; Y910-Y927 HydrophobicContact CD2-CG 4.26Å; Y910-Y927 AromaticContact CE2-CD2 3.9Å; Y910-Y927 HydrophobicContact CE2-CD2 3.9Å; Y910-Y927 HydrophobicContact CE2-CG 4.22Å; S925-Y927 PolarHBondContact O-N 3.09Å; Y927-Y929 VanDerWaalsContact C-N 3.31Å; Y927-Y929 PolarHBondContact O-N 3.03Å; Y927-D930 WeakPolarHBondContact CA-OD2 3.49Å; Y927-D930 HydrophobicContact CD2-CB 4.1Å; Y927-D930 WeakPolarHBondContact O-CB 3.49Å; Y927-D930 PolarHBondContact O-N 2.95Å; Y927-D930 VanDerWaalsContact O-N 3.14Å; Y927-I931 HydrophobicContact CD1-CD1 3.64Å; Y927-I931 HydrophobicContact CD1-CG1 4.21Å; Y927-I931 HydrophobicContact CE1-CD1 3.59Å; Y927-I931 HydrophobicContact CE1-CG1 3.96Å; Y927-I931 HydrophobicContact CE2-CG1 4.3Å; Y927-I931 HydrophobicContact CG-CD1 4.24Å; Y927-I931 HydrophobicContact CG-CG1 4.48Å; Y927-I931 WeakPolarHBondContact O-CG1 3.25Å; Y927-I931 PolarHBondContact O-N 2.88Å
928	Y	86.4	Confident	68.4	Low	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.5	-40.6	178.3	170.9	-100.2	0	0	0	111.7	K809 H810 Y813 I861 D869 S925 D930 I931 L932	K809-Y928 WeakPolarHBondContact CE-OH 3.41Å; K809-Y928 PolarHBondContact NZ-OH 3.31Å; H810-Y928 HydrophobicContact CB-CD1 4.03Å; H810-Y928 HydrophobicContact CB-CD2 4.05Å; H810-Y928 HydrophobicContact CB-CE1 4.44Å; H810-Y928 HydrophobicContact CB-CE2 4.47Å; H810-Y928 HydrophobicContact CB-CG 3.81Å; H810-Y928 AromaticContact CD2-CD1 3.76Å; H810-Y928 AromaticContact CD2-CE1 3.34Å; H810-Y928 WeakPolarHBondContact CD2-CE1 3.29Å; H810-Y928 AromaticContact CD2-CZ 3.5Å; H810-Y928 AromaticContact CE1-CD1 3.63Å; H810-Y928 AromaticContact CE1-CE1 3.45Å; H810-Y928 VanDerWaalsContact CE1-CE1 3.45Å; H810-Y928 WeakPolarHBondContact CE1-CE1 3.13Å; H810-Y928 AromaticContact CG-CD1 3.44Å; H810-Y928 VanDerWaalsContact CG-CD1 3.44Å; H810-Y928 AromaticContact CG-CE1 3.56Å; H810-Y928 AromaticContact CG-CG 3.76Å; H810-Y928 AromaticContact CG-CZ 3.98Å; H810-Y928 AromaticContact ND1-CD1 3.34Å; H810-Y928 VanDerWaalsContact ND1-CD1 3.34Å; H810-Y928 WeakPolarHBondContact ND1-CD1 3.5Å; H810-Y928 AromaticContact ND1-CE1 3.62Å; H810-Y928 AromaticContact NE2-CD1 3.9Å; H810-Y928 AromaticContact NE2-CE1 3.3Å; H810-Y928 VanDerWaalsContact NE2-CE1 3.3Å; H810-Y928 WeakPolarHBondContact NE2-CE1 3.45Å; H810-Y928 AromaticContact NE2-CZ 3.81Å; Y813-Y928 HydrophobicContact CD2-CE2 4.26Å; I861-Y928 HydrophobicContact CG2-CE2 4.48Å; D869-Y928 WeakPolarHBondContact OD1-CE1 3.49Å; D869-Y928 PolarHBondContact OD2-OH 3.35Å; S925-Y928 WeakPolarHBondContact O-CB 3.48Å; S925-Y928 PolarHBondContact O-N 3.01Å; Y928-D930 VanDerWaalsContact C-N 3.32Å; Y928-D930 PolarHBondContact O-N 3.44Å; Y928-I931 WeakPolarHBondContact O-CB 3.43Å; Y928-I931 PolarHBondContact O-N 2.87Å; Y928-L932 WeakPolarHBondContact O-CB 3.49Å; Y928-L932 PolarHBondContact O-N 2.87Å
929	Y	88.9	Confident	71.4	Confident	14 Å²	14	36.4 Å²	36.4	6%	0.055	21%	0.208	C	C	.	.	H	α-helix	trans	-71.9	-26.8	177.3	-65.1	-56.3	0	0	0	112.6	H810 T872 Y927 L932 Q933	H810-Y929 AromaticContact CE1-CZ 3.96Å; T872-Y929 HydrophobicContact CG2-CD1 3.97Å; T872-Y929 HydrophobicContact CG2-CG 4.35Å; Y927-Y929 VanDerWaalsContact C-N 3.31Å; Y927-Y929 PolarHBondContact O-N 3.03Å; Y929-L932 HydrophobicContact CD1-CD2 4.07Å; Y929-Q933 VanDerWaalsContact O-CG 3.29Å; Y929-Q933 WeakPolarHBondContact O-CG 3.36Å; Y929-Q933 PolarHBondContact O-N 3.29Å; Y929-Q933 VanDerWaalsContact O-N 3.16Å
930	D	90.5	Very high	74.5	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-67	-42.5	169.8	-57.6	-46.8	0	0	0	110.7	P479 L480 F892 L903 L906 Y910 Y927 Y928 Y934	P479-D930 WeakPolarHBondContact CA-OD1 3.46Å; P479-D930 VanDerWaalsContact CB-OD1 3.23Å; P479-D930 WeakPolarHBondContact CB-OD1 3.38Å; L480-D930 PolarHBondContact N-OD1 2.98Å; F892-D930 HydrophobicContact CE1-CB 4.33Å; F892-D930 HydrophobicContact CZ-CB 4.31Å; L903-D930 HydrophobicContact CD1-CB 3.77Å; L906-D930 HydrophobicContact CD2-CB 4.17Å; L906-D930 WeakPolarHBondContact CD2-OD2 3.41Å; Y910-D930 PolarHBondContact OH-OD2 2.98Å; Y927-D930 WeakPolarHBondContact CA-OD2 3.49Å; Y927-D930 HydrophobicContact CD2-CB 4.1Å; Y927-D930 WeakPolarHBondContact O-CB 3.49Å; Y927-D930 PolarHBondContact O-N 2.95Å; Y927-D930 VanDerWaalsContact O-N 3.14Å; Y928-D930 VanDerWaalsContact C-N 3.32Å; Y928-D930 PolarHBondContact O-N 3.44Å; D930-Y934 WeakPolarHBondContact O-CB 3.2Å; D930-Y934 PolarHBondContact O-N 2.94Å
931	I	89.1	Confident	77.3	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.8	-50.5	173.9	-65.8	158.3	0	0	0	110.8	M817 I861 L903 Y927 Y928 Q933 Y934 V935	M817-I931 HydrophobicContact CB-CD1 4.05Å; M817-I931 HydrophobicContact CE-CG2 4Å; M817-I931 HydrophobicContact CG-CD1 3.73Å; M817-I931 HydrophobicContact CG-CG1 4.02Å; M817-I931 HydrophobicContact CG-CG2 4.49Å; M817-I931 HydrophobicContact SD-CG1 4.44Å; I861-I931 HydrophobicContact CD1-CG2 4.1Å; L903-I931 HydrophobicContact CD1-CG1 4.44Å; L903-I931 HydrophobicContact CD2-CG1 4.16Å; Y927-I931 HydrophobicContact CD1-CD1 3.64Å; Y927-I931 HydrophobicContact CD1-CG1 4.21Å; Y927-I931 HydrophobicContact CE1-CD1 3.59Å; Y927-I931 HydrophobicContact CE1-CG1 3.96Å; Y927-I931 HydrophobicContact CE2-CG1 4.3Å; Y927-I931 HydrophobicContact CG-CD1 4.24Å; Y927-I931 HydrophobicContact CG-CG1 4.48Å; Y927-I931 WeakPolarHBondContact O-CG1 3.25Å; Y927-I931 PolarHBondContact O-N 2.88Å; Y928-I931 WeakPolarHBondContact O-CB 3.43Å; Y928-I931 PolarHBondContact O-N 2.87Å; I931-Q933 VanDerWaalsContact C-N 3.3Å; I931-Q933 PolarHBondContact O-N 2.82Å; I931-Y934 PolarHBondContact O-N 2.9Å; I931-V935 HydrophobicContact CG2-CG2 4.05Å; I931-V935 WeakPolarHBondContact O-CB 3.38Å; I931-V935 WeakPolarHBondContact O-CG2 3.35Å; I931-V935 PolarHBondContact O-N 3.29Å
932	L	91.5	Very high	79.4	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-54.7	-45.6	-179.8	174.7	67.1	0	0	0	111.5	I861 L862 L865 D869 T872 L873 Y928 Y929 F936	I861-L932 HydrophobicContact CG2-CD1 3.63Å; L862-L932 HydrophobicContact CD2-CD1 4.09Å; L865-L932 HydrophobicContact CD2-CD1 3.84Å; D869-L932 HydrophobicContact CB-CD1 4.47Å; D869-L932 HydrophobicContact CB-CD2 3.71Å; T872-L932 HydrophobicContact CG2-CD2 4.14Å; L873-L932 HydrophobicContact CD1-CD1 4.49Å; L873-L932 HydrophobicContact CD2-CD1 4.49Å; L873-L932 HydrophobicContact CD2-CD2 4.48Å; L873-L932 HydrophobicContact CD2-CG 4.08Å; L873-L932 HydrophobicContact CG-CD2 4.44Å; L873-L932 HydrophobicContact CG-CG 4.44Å; Y928-L932 WeakPolarHBondContact O-CB 3.49Å; Y928-L932 PolarHBondContact O-N 2.87Å; Y929-L932 HydrophobicContact CD1-CD2 4.07Å; L932-F936 WeakPolarHBondContact O-CB 3.48Å; L932-F936 PolarHBondContact O-N 3.46Å
933	Q	93.5	Very high	80.8	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.009	14%	0.137	C	C	.	.	H	α-helix	trans	-69.4	-40	179.5	-68.3	-172.3	-18.5	0	0	112.3	T872 L876 P893 Y929 I931 L937	T872-Q933 HydrophobicContact CG2-CG 4.09Å; T872-Q933 PolarHBondContact O-NE2 2.81Å; L876-Q933 HydrophobicContact CD2-CB 3.93Å; L876-Q933 HydrophobicContact CD2-CG 3.89Å; P893-Q933 HydrophobicContact CB-CB 4.25Å; P893-Q933 HydrophobicContact CG-CB 4Å; Y929-Q933 VanDerWaalsContact O-CG 3.29Å; Y929-Q933 WeakPolarHBondContact O-CG 3.36Å; Y929-Q933 PolarHBondContact O-N 3.29Å; Y929-Q933 VanDerWaalsContact O-N 3.16Å; I931-Q933 VanDerWaalsContact C-N 3.3Å; I931-Q933 PolarHBondContact O-N 2.82Å; Q933-L937 WeakPolarHBondContact O-CB 3.39Å; Q933-L937 VanDerWaalsContact O-CG 3.25Å; Q933-L937 WeakPolarHBondContact O-CG 3.49Å; Q933-L937 PolarHBondContact O-N 3.36Å; Q933-L937 VanDerWaalsContact O-N 3.1Å
934	Y	92.2	Very high	81.2	Confident	6 Å²	6	29.8 Å²	29.8	2%	0.024	16%	0.159	C	C	.	.	H	α-helix	trans	-61.1	-46.3	172.8	164.8	-99.5	0	0	0	112.4	V894 G896 Y900 L903 D930 I931 L937 T938	V894-Y934 WeakPolarHBondContact O-CD2 3.45Å; G896-Y934 WeakPolarHBondContact O-CE2 3.42Å; Y900-Y934 VanDerWaalsContact N-CE2 3.34Å; L903-Y934 HydrophobicContact CD2-CD1 3.66Å; L903-Y934 HydrophobicContact CD2-CE1 4.43Å; L903-Y934 HydrophobicContact CD2-CG 3.82Å; D930-Y934 WeakPolarHBondContact O-CB 3.2Å; D930-Y934 PolarHBondContact O-N 2.94Å; I931-Y934 PolarHBondContact O-N 2.9Å; Y934-L937 PolarHBondContact O-N 3.4Å; Y934-T938 VanDerWaalsContact CE2-OG1 3.24Å; Y934-T938 WeakPolarHBondContact CE2-OG1 3.44Å; Y934-T938 WeakPolarHBondContact O-CB 3.36Å; Y934-T938 PolarHBondContact O-N 3.46Å; Y934-T938 PolarHBondContact O-OG1 2.88Å
935	V	91.7	Very high	81	Confident	4 Å²	4	31.3 Å²	31.3	2%	0.024	18%	0.178	C	C	.	.	H	α-helix	trans	-66.3	-46	-178.3	170.7	0	0	0	0	110.6	L858 I861 L862 I931 L937 T938 V939	L858-V935 HydrophobicContact CB-CG1 4.16Å; L858-V935 HydrophobicContact CB-CG2 4.06Å; L858-V935 HydrophobicContact CD1-CG2 4.23Å; L858-V935 WeakPolarHBondContact O-CG1 3.46Å; I861-V935 HydrophobicContact CD1-CG2 4.21Å; L862-V935 HydrophobicContact CD1-CG1 4.17Å; L862-V935 HydrophobicContact CG-CG1 4.19Å; I931-V935 HydrophobicContact CG2-CG2 4.05Å; I931-V935 WeakPolarHBondContact O-CB 3.38Å; I931-V935 WeakPolarHBondContact O-CG2 3.35Å; I931-V935 PolarHBondContact O-N 3.29Å; V935-L937 PolarHBondContact O-N 2.88Å; V935-T938 PolarHBondContact O-N 3.04Å; V935-V939 HydrophobicContact CG1-CG2 4.22Å; V935-V939 WeakPolarHBondContact O-CB 3.49Å; V935-V939 WeakPolarHBondContact O-CG2 3.36Å; V935-V939 PolarHBondContact O-N 3.28Å
936	F	93.6	Very high	79.9	Confident	3 Å²	3	36 Å²	36	1%	0.013	20%	0.201	C	C	.	.	H	α-helix	trans	-57.4	-49.6	175.5	178.2	-95.1	0	0	0	112.3	L862 L873 L876 I877 L932 T938 V939 Y940 V988 V996	L862-F936 HydrophobicContact CD2-CB 4.2Å; L862-F936 HydrophobicContact CD2-CD2 4.38Å; L873-F936 HydrophobicContact CD1-CB 4.46Å; L873-F936 HydrophobicContact CD1-CD2 3.71Å; L873-F936 HydrophobicContact CD1-CE2 4.25Å; L873-F936 HydrophobicContact CD1-CG 4.17Å; L873-F936 HydrophobicContact CD2-CB 3.54Å; L873-F936 HydrophobicContact CD2-CD1 4.06Å; L873-F936 HydrophobicContact CD2-CD2 4.03Å; L873-F936 HydrophobicContact CD2-CG 3.59Å; L873-F936 HydrophobicContact CG-CD2 4.42Å; L873-F936 HydrophobicContact CG-CG 4.44Å; L876-F936 HydrophobicContact CD2-CD1 4.36Å; I877-F936 HydrophobicContact CD1-CE1 3.98Å; I877-F936 HydrophobicContact CD1-CZ 3.83Å; I877-F936 HydrophobicContact CG1-CE1 4.14Å; I877-F936 HydrophobicContact CG1-CZ 4.48Å; L932-F936 WeakPolarHBondContact O-CB 3.48Å; L932-F936 PolarHBondContact O-N 3.46Å; F936-T938 PolarHBondContact O-N 3.15Å; F936-V939 PolarHBondContact O-N 2.88Å; F936-Y940 AromaticContact CD2-CD2 3.6Å; F936-Y940 HydrophobicContact CD2-CD2 3.6Å; F936-Y940 HydrophobicContact CD2-CE2 4.02Å; F936-Y940 AromaticContact CE2-CD2 3.42Å; F936-Y940 HydrophobicContact CE2-CD2 3.42Å; F936-Y940 VanDerWaalsContact CE2-CD2 3.42Å; F936-Y940 AromaticContact CE2-CE2 3.84Å; F936-Y940 HydrophobicContact CE2-CE2 3.84Å; F936-Y940 HydrophobicContact CE2-CG 4.39Å; F936-Y940 HydrophobicContact CG-CD2 4.38Å; F936-Y940 HydrophobicContact CZ-CD2 4.09Å; F936-Y940 PolarHBondContact O-N 3.1Å; F936-V988 HydrophobicContact CE1-CG1 3.8Å; F936-V988 HydrophobicContact CE1-CG2 4.07Å; F936-V988 HydrophobicContact CZ-CG1 3.85Å; F936-V996 HydrophobicContact CE2-CG2 3.57Å; F936-V996 HydrophobicContact CZ-CG2 3.74Å
937	L	92.8	Very high	78.6	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-66.9	-24.2	179.7	-69.1	171.8	0	0	0	113.3	L876 P893 H895 Q933 Y934 V935 H941 V988	L876-L937 HydrophobicContact CD2-CD1 4.08Å; L876-L937 HydrophobicContact CD2-CD2 4.17Å; L876-L937 HydrophobicContact CD2-CG 3.97Å; P893-L937 HydrophobicContact CB-CD1 4.05Å; P893-L937 HydrophobicContact CG-CD1 3.92Å; H895-L937 HydrophobicContact CB-CB 4.13Å; H895-L937 WeakPolarHBondContact CB-O 3.18Å; Q933-L937 WeakPolarHBondContact O-CB 3.39Å; Q933-L937 VanDerWaalsContact O-CG 3.25Å; Q933-L937 WeakPolarHBondContact O-CG 3.49Å; Q933-L937 PolarHBondContact O-N 3.36Å; Q933-L937 VanDerWaalsContact O-N 3.1Å; Y934-L937 PolarHBondContact O-N 3.4Å; V935-L937 PolarHBondContact O-N 2.88Å; L937-H941 WeakPolarHBondContact O-CB 3.47Å; L937-H941 PolarHBondContact O-N 3.35Å; L937-V988 HydrophobicContact CD2-CG2 3.98Å
938	T	89.3	Confident	76.4	Confident	22 Å²	22	47.6 Å²	47.6	14%	0.135	27%	0.265	C	S	.	.	H	α-helix	trans	-87.3	-34.8	178.5	-57	0	0	0	0	112.2	G896 Y934 V935 F936	G896-T938 PolarHBondContact N-OG1 3Å; G896-T938 VanDerWaalsContact N-OG1 3.16Å; Y934-T938 VanDerWaalsContact CE2-OG1 3.24Å; Y934-T938 WeakPolarHBondContact CE2-OG1 3.44Å; Y934-T938 WeakPolarHBondContact O-CB 3.36Å; Y934-T938 PolarHBondContact O-N 3.46Å; Y934-T938 PolarHBondContact O-OG1 2.88Å; V935-T938 PolarHBondContact O-N 3.04Å; F936-T938 PolarHBondContact O-N 3.15Å
939	V	88.8	Confident	73.8	Confident	43 Å²	43	50.2 Å²	50.2	26%	0.261	28%	0.279	S	S	.	.	H	α-helix	trans	-75.1	-34	175.2	172.3	0	0	0	0	111.8	R859 L862 V935 F936	R859-V939 HydrophobicContact CG-CG1 4.41Å; R859-V939 HydrophobicContact CG-CG2 3.81Å; L862-V939 HydrophobicContact CD1-CB 3.87Å; L862-V939 HydrophobicContact CD1-CG1 3.96Å; L862-V939 HydrophobicContact CD1-CG2 4Å; V935-V939 HydrophobicContact CG1-CG2 4.22Å; V935-V939 WeakPolarHBondContact O-CB 3.49Å; V935-V939 WeakPolarHBondContact O-CG2 3.36Å; V935-V939 PolarHBondContact O-N 3.28Å; F936-V939 PolarHBondContact O-N 2.88Å
940	Y	91.2	Very high	71.4	Confident	53 Å²	53	51.9 Å²	51.9	21%	0.208	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	40	-178.4	-62.4	-65.6	0	0	0	113.1	L862 F936 V988 S989 G992 S995	L862-Y940 HydrophobicContact CD1-CD2 4.44Å; L862-Y940 HydrophobicContact CD1-CE2 4.07Å; F936-Y940 AromaticContact CD2-CD2 3.6Å; F936-Y940 HydrophobicContact CD2-CD2 3.6Å; F936-Y940 HydrophobicContact CD2-CE2 4.02Å; F936-Y940 AromaticContact CE2-CD2 3.42Å; F936-Y940 HydrophobicContact CE2-CD2 3.42Å; F936-Y940 VanDerWaalsContact CE2-CD2 3.42Å; F936-Y940 AromaticContact CE2-CE2 3.84Å; F936-Y940 HydrophobicContact CE2-CE2 3.84Å; F936-Y940 HydrophobicContact CE2-CG 4.39Å; F936-Y940 HydrophobicContact CG-CD2 4.38Å; F936-Y940 HydrophobicContact CZ-CD2 4.09Å; F936-Y940 PolarHBondContact O-N 3.1Å; Y940-V988 CarbonylContact O-C 3.37Å; Y940-V988 WeakPolarHBondContact O-CA 3.41Å; Y940-S989 PolarHBondContact O-N 3.06Å; Y940-G992 VanDerWaalsContact CG-CA 3.42Å; Y940-S995 PolarHBondContact OH-OG 2.69Å
941	H	87.1	Confident	68.9	Low	46 Å²	46	52.5 Å²	52.5	21%	0.213	30%	0.297	C	S	.	.			trans	-71.4	157.1	170.7	-169.3	-109.1	0	0	0	112	H895 L937 S943	H895-H941 AromaticContact CD2-CD2 3.6Å; H895-H941 AromaticContact CD2-NE2 3.84Å; H895-H941 AromaticContact CE1-CD2 3.49Å; H895-H941 PolarHBondContact CE1-CD2 3.41Å; H895-H941 VanDerWaalsContact CE1-CD2 3.49Å; H895-H941 AromaticContact CE1-CE1 3.49Å; H895-H941 PolarHBondContact CE1-CE1 3.04Å; H895-H941 VanDerWaalsContact CE1-CE1 3.49Å; H895-H941 AromaticContact CE1-CG 3.8Å; H895-H941 AromaticContact CE1-ND1 3.77Å; H895-H941 AromaticContact CE1-NE2 3.31Å; H895-H941 PolarHBondContact CE1-NE2 2.8Å; H895-H941 VanDerWaalsContact CE1-NE2 3.31Å; H895-H941 AromaticContact CG-CD2 3.6Å; H895-H941 AromaticContact CG-CG 3.98Å; H895-H941 AromaticContact ND1-CD2 3.51Å; H895-H941 AromaticContact ND1-CG 3.56Å; H895-H941 AromaticContact ND1-ND1 3.87Å; H895-H941 AromaticContact ND1-NE2 3.84Å; H895-H941 AromaticContact NE2-CD2 3.6Å; H895-H941 AromaticContact NE2-CE1 3.96Å; H895-H941 AromaticContact NE2-NE2 3.35Å; H895-H941 PolarHBondContact NE2-NE2 3.02Å; L937-H941 WeakPolarHBondContact O-CB 3.47Å; L937-H941 PolarHBondContact O-N 3.35Å; H941-S943 PolarHBondContact O-N 3.37Å
942	N	75.9	Confident	66.6	Low	37 Å²	37	55.1 Å²	55.1	20%	0.198	31%	0.311	C	S	.	.			trans	-73.8	105.4	167.1	-69.2	-27.7	0	0	0	110.2	E944 G983 V988 S989	N942-E944 VanDerWaalsContact C-N 3.27Å; N942-E944 PolarHBondContact O-N 3.12Å; N942-G983 PolarHBondContact ND2-O 3.38Å; N942-V988 VanDerWaalsContact OD1-C 3.26Å; N942-V988 PolarHBondContact OD1-O 2.99Å; N942-S989 WeakPolarHBondContact OD1-CA 3.34Å; N942-S989 PolarHBondContact OD1-N 3.03Å
943	S	62.2	Low	64	Low	116 Å²	116	57.3 Å²	57.3	81%	0.811	33%	0.326	S	S	*	.			trans	-78.6	-7.2	175	51.2	0	0	0	0	114.1	H941 G945	H941-S943 PolarHBondContact O-N 3.37Å; S943-G945 PolarHBondContact O-N 2.88Å
944	E	50.6	Low	61.6	Low	187 Å²	187	58.2 Å²	58.2	87%	0.874	33%	0.33	S	S	*	.	S	Bend	trans	-88.1	88.6	-172.9	-66.9	-174.7	168.6	0	0	112.4	N942	N942-E944 VanDerWaalsContact C-N 3.27Å; N942-E944 PolarHBondContact O-N 3.12Å
945	G	41.3	Very low	59.4	Low	52 Å²	52	59.3 Å²	59.3	54%	0.536	34%	0.338	S	S	.	.	S	Bend	trans	102.1	121.4	161.9	0	0	0	0	0	115.3	S943 L949	S943-G945 PolarHBondContact O-N 2.88Å; G945-L949 WeakPolarHBondContact O-CD1 3.1Å
946	N	35.4	Very low	57	Low	123 Å²	123	65.7 Å²	65.7	66%	0.658	37%	0.367	S	S	*	.			trans	59.6	109.2	176.7	-76.2	-33.3	0	0	0	116.7	N948 L949	N946-N948 HydrophobicContact CB-CB 4.26Å; N946-N948 PolarHBondContact O-N 2.65Å; N946-L949 HydrophobicContact CB-CD1 4.1Å; N946-L949 PolarHBondContact O-N 2.63Å
947	D	37.4	Very low	54.5	Low	146 Å²	146	70 Å²	70	78%	0.781	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-15.3	158.8	-60.7	-74.7	0	0	0	113.2	L949	D947-L949 PolarHBondContact O-N 3.31Å
948	N	35.2	Very low	52.6	Low	143 Å²	143	71.9 Å²	71.9	77%	0.765	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	8.5	168.3	-69.3	-41.7	0	0	0	114.1	N946 S950	N946-N948 HydrophobicContact CB-CB 4.26Å; N946-N948 PolarHBondContact O-N 2.65Å; N948-S950 PolarHBondContact O-N 3.4Å
949	L	31.8	Very low	50.7	Low	55 Å²	55	81.7 Å²	81.7	29%	0.288	44%	0.44	S	S	.	.			trans	-69.5	65.3	161.4	-102.2	74	0	0	0	111.8	G945 N946 D947	G945-L949 WeakPolarHBondContact O-CD1 3.1Å; N946-L949 HydrophobicContact CB-CD1 4.1Å; N946-L949 PolarHBondContact O-N 2.63Å; D947-L949 PolarHBondContact O-N 3.31Å
950	S	37.7	Very low	48.9	Very low	49 Å²	49	87.3 Å²	87.3	34%	0.343	47%	0.469	S	S	.	.			trans	-53.1	163	143.6	-179.9	0	0	0	0	109.5	N948 D952 S953	N948-S950 PolarHBondContact O-N 3.4Å; S950-D952 WeakPolarHBondContact CB-OD2 3.42Å; S950-D952 PolarHBondContact O-N 3.27Å; S950-D952 PolarHBondContact OG-OD2 3Å; S950-S953 PolarHBondContact O-N 3.46Å
951	C	38.8	Very low	47.5	Very low	14 Å²	14	88.2 Å²	88.2	10%	0.095	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	11.9	175.2	-69.5	0	0	0	0	114	R486 Q889 F954	R486-C951 PolarHBondContact NH2-O 3.16Å; Q889-C951 HydrophobicContact CG-CB 3.96Å; Q889-C951 WeakPolarHBondContact CG-O 3.18Å; Q889-C951 PolarHBondContact NE2-O 3.32Å; C951-F954 HydrophobicContact CB-CD2 4.13Å; C951-F954 HydrophobicContact CB-CE2 4.11Å; C951-F954 WeakPolarHBondContact O-CD2 3.23Å
952	D	40.2	Very low	46.5	Very low	54 Å²	54	91.4 Å²	91.4	29%	0.289	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-16.7	175.7	-58	-58.3	0	0	0	112.5	R486 Q889 S950	R486-D952 VanDerWaalsContact CZ-O 3.24Å; R486-D952 PolarHBondContact NH1-O 2.92Å; R486-D952 PolarHBondContact NH2-O 3.13Å; Q889-D952 PolarHBondContact NE2-OD1 2.95Å; S950-D952 WeakPolarHBondContact CB-OD2 3.42Å; S950-D952 PolarHBondContact O-N 3.27Å; S950-D952 PolarHBondContact OG-OD2 3Å
953	S	37.4	Very low	46.5	Very low	46 Å²	46	90.8 Å²	90.8	32%	0.322	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-71	-31.4	178.2	58.3	0	0	0	0	115.3	S950 V955 H956	S950-S953 PolarHBondContact O-N 3.46Å; S953-V955 PolarHBondContact O-N 3.06Å; S953-H956 PolarHBondContact O-N 2.91Å
954	F	43.2	Very low	47	Very low	21 Å²	21	85.2 Å²	85.2	9%	0.092	45%	0.449	C	S	.	.	G	3₁₀ helix	trans	-50.8	-10.7	-165.4	-83.4	-96.8	0	0	0	119.1	C951 M985	C951-F954 HydrophobicContact CB-CD2 4.13Å; C951-F954 HydrophobicContact CB-CE2 4.11Å; C951-F954 WeakPolarHBondContact O-CD2 3.23Å; F954-M985 WeakPolarHBondContact CD1-O 3.43Å
955	V	45.5	Very low	48.2	Very low	29 Å²	29	76.4 Å²	76.4	18%	0.176	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-140.2	30.1	-167.6	-158.4	0	0	0	0	113	G886 S953	G886-V955 WeakPolarHBondContact O-CG1 3.3Å; G886-V955 WeakPolarHBondContact O-CG2 3.28Å; S953-V955 PolarHBondContact O-N 3.06Å
956	H	42.5	Very low	49.7	Very low	138 Å²	138	76.6 Å²	76.6	64%	0.639	39%	0.394	S	S	*	.	S	Bend	trans	-128.7	127.6	169.8	-76.9	-70.6	0	0	0	111.2	S953	S953-H956 PolarHBondContact O-N 2.91Å
957	C	40.5	Very low	51.3	Low	94 Å²	94	72.3 Å²	72.3	64%	0.635	37%	0.371	S	S	*	.	S	Bend	trans	111.4	24.9	171.2	-60.2	0	0	0	0	119.6
958	Y	52.8	Low	52.6	Low	41 Å²	41	66.2 Å²	66.2	16%	0.161	34%	0.341	C	S	.	.			trans	-118.7	2.3	-176.2	-56.6	-62.7	0	0	0	118.5	D960 K961 I981 E984 M985	Y958-D960 PolarHBondContact O-N 3.16Å; Y958-K961 HydrophobicContact CD1-CB 4.41Å; Y958-K961 HydrophobicContact CD1-CD 4.03Å; Y958-K961 HydrophobicContact CE1-CD 4.08Å; Y958-I981 HydrophobicContact CD1-CG2 4.05Å; Y958-I981 HydrophobicContact CE1-CG2 3.82Å; Y958-E984 VanDerWaalsContact CE1-OE2 3.24Å; Y958-E984 WeakPolarHBondContact CE1-OE2 3.47Å; Y958-E984 WeakPolarHBondContact OH-CB 3.28Å; Y958-E984 PolarHBondContact OH-OE2 3.22Å; Y958-M985 HydrophobicContact CD1-SD 4.47Å; Y958-M985 HydrophobicContact CD2-CG 4.15Å; Y958-M985 HydrophobicContact CE1-CG 4.16Å; Y958-M985 HydrophobicContact CE2-CG 3.72Å
959	Y	48.9	Very low	53.8	Low	228 Å²	228	62 Å²	62	89%	0.894	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-22.8	174	-69.3	-71.9	0	0	0	113.2
960	D	52.2	Low	55.2	Low	162 Å²	162	65 Å²	65	87%	0.866	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-0.7	-177.7	-47.7	-62.5	0	0	0	113.7	Y958	Y958-D960 PolarHBondContact O-N 3.16Å
961	K	61.7	Low	56.3	Low	71 Å²	71	65.5 Å²	65.5	31%	0.309	34%	0.34	S	S	.	.	S	Bend	trans	-113.2	133.9	-178.8	-62.4	-168.2	-169.3	178.1	0	110.7	Y958 L963 I981 E984	Y958-K961 HydrophobicContact CD1-CB 4.41Å; Y958-K961 HydrophobicContact CD1-CD 4.03Å; Y958-K961 HydrophobicContact CE1-CD 4.08Å; K961-L963 PolarHBondContact O-N 3.13Å; K961-I981 HydrophobicContact CB-CD1 4.32Å; K961-I981 HydrophobicContact CD-CD1 3.78Å; K961-I981 HydrophobicContact CD-CG1 3.78Å; K961-E984 IonicContact NZ-OE1 2.7Å; K961-E984 PolarHBondContact NZ-OE1 2.73Å; K961-E984 IonicContact NZ-OE2 3.45Å; K961-E984 PolarHBondContact NZ-OE2 3.14Å
962	I	65.9	Low	57.4	Low	113 Å²	113	71.2 Å²	71.2	58%	0.579	37%	0.37	S	S	*	.			trans	-62.9	132.5	170.5	-56.5	178.4	0	0	0	108.8	Q966 I967	I962-Q966 HydrophobicContact CG2-CB 3.94Å; I962-I967 HydrophobicContact CB-CD1 4.27Å; I962-I967 HydrophobicContact CB-CG1 4.47Å; I962-I967 HydrophobicContact CG2-CD1 4.05Å; I962-I967 HydrophobicContact CG2-CG1 3.71Å
963	L	75.8	Confident	58.7	Low	24 Å²	24	74.1 Å²	74.1	13%	0.126	38%	0.381	C	S	.	.			trans	-77.1	146.3	-172.2	-65.8	170	0	0	0	112.1	L885 K961 D965 Q966 I967 M985	L885-L963 HydrophobicContact CD2-CD1 3.72Å; L885-L963 HydrophobicContact CD2-CD2 3.95Å; L885-L963 HydrophobicContact CD2-CG 4.38Å; K961-L963 PolarHBondContact O-N 3.13Å; L963-D965 WeakPolarHBondContact CB-OD1 3.4Å; L963-D965 PolarHBondContact O-N 2.73Å; L963-D965 VanDerWaalsContact O-N 3.11Å; L963-Q966 HydrophobicContact CB-CG 4.13Å; L963-Q966 WeakPolarHBondContact O-CA 3.11Å; L963-Q966 WeakPolarHBondContact O-CB 3.29Å; L963-Q966 PolarHBondContact O-N 2.97Å; L963-I967 PolarHBondContact O-N 2.62Å; L963-M985 HydrophobicContact CD2-CE 4.39Å; L963-M985 HydrophobicContact CD2-SD 4.49Å
964	P	73.5	Confident	60.6	Low	0 Å²	0	73 Å²	73	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-53.8	-31.6	177.6	-31.2	36.7	0	0	0	115.1	L267 Y881 I967 A968 L974 I981 A982	L267-P964 HydrophobicContact CD2-CB 3.63Å; Y881-P964 HydrophobicContact CE2-CB 4.16Å; Y881-P964 HydrophobicContact CE2-CG 4.05Å; P964-I967 PolarHBondContact O-N 3.41Å; P964-A968 VanDerWaalsContact O-CB 3.31Å; P964-A968 WeakPolarHBondContact O-CB 3.08Å; P964-A968 PolarHBondContact O-N 2.8Å; P964-L974 HydrophobicContact CB-CD2 4.01Å; P964-I981 HydrophobicContact CG-CB 4.15Å; P964-I981 HydrophobicContact CG-CG2 3.72Å; P964-A982 HydrophobicContact CB-CB 4.4Å; P964-A982 HydrophobicContact CG-CB 4.11Å
965	D	74	Confident	62.5	Low	2 Å²	2	75.6 Å²	75.6	1%	0.011	39%	0.387	C	S	.	.	H	α-helix	trans	-79.7	-14.4	176.8	71	-22.8	0	0	0	114.7	I264 A265 R276 Y881 L963 P969	I264-D965 HydrophobicContact CG2-CB 4.3Å; A265-D965 HydrophobicContact CB-CB 4.03Å; R276-D965 IonicContact CZ-OD2 3.27Å; R276-D965 IonicContact NH1-OD2 2.75Å; R276-D965 PolarHBondContact NH1-OD2 2.97Å; R276-D965 IonicContact NH2-OD2 3.44Å; R276-D965 PolarHBondContact NH2-OD2 3.16Å; Y881-D965 HydrophobicContact CE1-CB 3.93Å; Y881-D965 VanDerWaalsContact OH-CB 3.31Å; Y881-D965 WeakPolarHBondContact OH-CB 3.33Å; Y881-D965 PolarHBondContact OH-N 2.91Å; Y881-D965 PolarHBondContact OH-OD1 2.91Å; Y881-D965 VanDerWaalsContact OH-OD1 3.1Å; L963-D965 WeakPolarHBondContact CB-OD1 3.4Å; L963-D965 PolarHBondContact O-N 2.73Å; L963-D965 VanDerWaalsContact O-N 3.11Å; D965-P969 WeakPolarHBondContact O-CD 3.44Å; D965-P969 VanDerWaalsContact O-CG 3.26Å; D965-P969 WeakPolarHBondContact O-CG 3.5Å
966	Q	73.9	Confident	64.4	Low	55 Å²	55	79.2 Å²	79.2	26%	0.257	41%	0.409	S	S	.	.	H	α-helix	trans	-82.8	-30.2	167.4	-63.2	167.9	-19	0	0	110.5	I962 L963 I970	I962-Q966 HydrophobicContact CG2-CB 3.94Å; L963-Q966 HydrophobicContact CB-CG 4.13Å; L963-Q966 WeakPolarHBondContact O-CA 3.11Å; L963-Q966 WeakPolarHBondContact O-CB 3.29Å; L963-Q966 PolarHBondContact O-N 2.97Å; Q966-I970 WeakPolarHBondContact O-CD1 3.44Å
967	I	69	Low	66.4	Low	34 Å²	34	78.7 Å²	78.7	17%	0.174	41%	0.407	C	S	.	.	H	α-helix	trans	-84.5	-49	-179	-59.9	169.7	0	0	0	112	I962 L963 P964 P969 I970 S971 S978	I962-I967 HydrophobicContact CB-CD1 4.27Å; I962-I967 HydrophobicContact CB-CG1 4.47Å; I962-I967 HydrophobicContact CG2-CD1 4.05Å; I962-I967 HydrophobicContact CG2-CG1 3.71Å; L963-I967 PolarHBondContact O-N 2.62Å; P964-I967 PolarHBondContact O-N 3.41Å; I967-P969 VanDerWaalsContact C-N 3.35Å; I967-I970 WeakPolarHBondContact O-CB 3.29Å; I967-I970 PolarHBondContact O-N 3.44Å; I967-S971 PolarHBondContact O-N 3.23Å; I967-S971 PolarHBondContact O-OG 3.25Å; I967-S978 VanDerWaalsContact CD1-OG 3.28Å; I967-S978 WeakPolarHBondContact CD1-OG 3.45Å
968	A	64.4	Low	68.5	Low	17 Å²	17	74.2 Å²	74.2	14%	0.14	38%	0.377	C	S	.	.	H	α-helix	trans	-53.2	-37.4	-174	0	0	0	0	0	115.4	P964 I970 N972 L974	P964-A968 VanDerWaalsContact O-CB 3.31Å; P964-A968 WeakPolarHBondContact O-CB 3.08Å; P964-A968 PolarHBondContact O-N 2.8Å; A968-I970 PolarHBondContact O-N 3.35Å; A968-N972 WeakPolarHBondContact O-CA 3.36Å; A968-N972 PolarHBondContact O-N 3.31Å; A968-L974 HydrophobicContact CB-CD2 3.94Å
969	P	60.1	Low	70.2	Confident	55 Å²	55	72.7 Å²	72.7	36%	0.357	37%	0.371	S	S	.	.	H	α-helix	trans	-68.7	-16.3	175.8	-20.4	34.1	0	0	0	114.7	A265 T649 D965 I967	A265-P969 HydrophobicContact CB-CG 4.06Å; T649-P969 HydrophobicContact CG2-CB 4.16Å; D965-P969 WeakPolarHBondContact O-CD 3.44Å; D965-P969 VanDerWaalsContact O-CG 3.26Å; D965-P969 WeakPolarHBondContact O-CG 3.5Å; I967-P969 VanDerWaalsContact C-N 3.35Å
970	I	60.6	Low	72.1	Confident	118 Å²	118	64.2 Å²	64.2	61%	0.605	35%	0.345	S	S	*	.	H	α-helix	trans	-92.2	-46.3	-177.6	-56	175.6	0	0	0	110	Q966 I967 A968	Q966-I970 WeakPolarHBondContact O-CD1 3.44Å; I967-I970 WeakPolarHBondContact O-CB 3.29Å; I967-I970 PolarHBondContact O-N 3.44Å; A968-I970 PolarHBondContact O-N 3.35Å
971	S	61	Low	73.7	Confident	59 Å²	59	56.8 Å²	56.8	41%	0.413	31%	0.305	S	S	.	.	H	α-helix	trans	-95	-11.2	-173.4	54.1	0	0	0	0	115	I967 E973	I967-S971 PolarHBondContact O-N 3.23Å; I967-S971 PolarHBondContact O-OG 3.25Å; S971-E973 WeakPolarHBondContact CB-O 3.35Å; S971-E973 PolarHBondContact O-N 2.63Å; S971-E973 PolarHBondContact OG-O 2.67Å
972	N	61.6	Low	75	Confident	134 Å²	134	53.4 Å²	53.4	72%	0.717	29%	0.291	S	S	*	.	S	Bend	trans	58.7	-18.4	-166.8	-74.8	-17.7	0	0	0	115.8	A968	A968-N972 WeakPolarHBondContact O-CA 3.36Å; A968-N972 PolarHBondContact O-N 3.31Å
973	E	69	Low	76.2	Confident	115 Å²	115	48 Å²	48	54%	0.537	26%	0.264	S	S	.	.	S	Bend	trans	-131	144.5	175.4	-50.1	-150.6	153.4	0	0	111.1	S971 N975 K1001	S971-E973 WeakPolarHBondContact CB-O 3.35Å; S971-E973 PolarHBondContact O-N 2.63Å; S971-E973 PolarHBondContact OG-O 2.67Å; E973-N975 PolarHBondContact O-N 3.14Å; E973-K1001 VanDerWaalsContact CD-NZ 3.29Å; E973-K1001 WeakPolarHBondContact OE1-CE 3.42Å; E973-K1001 IonicContact OE1-NZ 2.89Å; E973-K1001 PolarHBondContact OE1-NZ 3.26Å; E973-K1001 IonicContact OE2-NZ 3.43Å; E973-K1001 PolarHBondContact OE2-NZ 3.05Å
974	L	77.6	Confident	76.7	Confident	23 Å²	23	50.4 Å²	50.4	12%	0.12	27%	0.274	C	S	.	.			trans	-72.8	121	173	-64.5	171.5	0	0	0	109.4	L267 P964 A968 L979 I997	L267-L974 HydrophobicContact CB-CD1 4.21Å; L267-L974 HydrophobicContact CD2-CD1 4.08Å; L267-L974 WeakPolarHBondContact O-CD1 3.41Å; P964-L974 HydrophobicContact CB-CD2 4.01Å; A968-L974 HydrophobicContact CB-CD2 3.94Å; L974-L979 HydrophobicContact CB-CD2 3.77Å; L974-L979 HydrophobicContact CB-CG 3.77Å; L974-L979 HydrophobicContact CD1-CD2 3.86Å; L974-L979 HydrophobicContact CG-CD2 4.49Å; L974-I997 HydrophobicContact CD1-CD1 4.43Å
975	N	82.7	Confident	77.3	Confident	75 Å²	75	50.5 Å²	50.5	40%	0.401	27%	0.274	S	S	.	.			trans	-68.8	172.6	172.2	74.7	-1.5	0	0	0	111.1	E973 E977 S978 L979	E973-N975 PolarHBondContact O-N 3.14Å; N975-E977 VanDerWaalsContact C-N 3.3Å; N975-E977 PolarHBondContact O-N 3.43Å; N975-E977 PolarHBondContact OD1-N 3.28Å; N975-S978 PolarHBondContact O-N 2.71Å; N975-S978 VanDerWaalsContact OD1-CB 3.23Å; N975-S978 WeakPolarHBondContact OD1-CB 3.43Å; N975-S978 PolarHBondContact OD1-N 2.75Å; N975-S978 PolarHBondContact OD1-OG 3.02Å; N975-L979 WeakPolarHBondContact O-CG 3.01Å; N975-L979 PolarHBondContact O-N 3.14Å
976	T	85	Confident	78.1	Confident	106 Å²	106	50.4 Å²	50.4	65%	0.65	27%	0.274	S	S	*	.	H	α-helix	trans	-57.6	-39.2	-177	41.1	0	0	0	0	113.5	S980	T976-S980 PolarHBondContact O-N 2.91Å
977	E	84.5	Confident	78.9	Confident	126 Å²	126	48.1 Å²	48.1	59%	0.589	27%	0.265	S	S	*	.	H	α-helix	trans	-66.8	-46	175.3	-178	174.8	-155.3	0	0	112	N975 L979 S980 I981	N975-E977 VanDerWaalsContact C-N 3.3Å; N975-E977 PolarHBondContact O-N 3.43Å; N975-E977 PolarHBondContact OD1-N 3.28Å; E977-L979 VanDerWaalsContact C-N 3.29Å; E977-L979 PolarHBondContact O-N 3.09Å; E977-S980 WeakPolarHBondContact O-CA 3.4Å; E977-S980 WeakPolarHBondContact O-CB 3.32Å; E977-S980 PolarHBondContact O-N 2.68Å; E977-S980 VanDerWaalsContact O-N 3.07Å; E977-I981 HydrophobicContact CG-CD1 4.07Å; E977-I981 WeakPolarHBondContact O-CG1 3.12Å; E977-I981 PolarHBondContact O-N 3.23Å
978	S	84.4	Confident	80	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.6	-34.7	176.5	-54.8	0	0	0	0	112.1	I967 N975 A982	I967-S978 VanDerWaalsContact CD1-OG 3.28Å; I967-S978 WeakPolarHBondContact CD1-OG 3.45Å; N975-S978 PolarHBondContact O-N 2.71Å; N975-S978 VanDerWaalsContact OD1-CB 3.23Å; N975-S978 WeakPolarHBondContact OD1-CB 3.43Å; N975-S978 PolarHBondContact OD1-N 2.75Å; N975-S978 PolarHBondContact OD1-OG 3.02Å; S978-A982 WeakPolarHBondContact O-CB 3.34Å; S978-A982 PolarHBondContact O-N 3.2Å
979	L	88.7	Confident	81.3	Confident	9 Å²	9	46.8 Å²	46.8	5%	0.047	26%	0.258	C	S	.	.	H	α-helix	trans	-69.8	-34.3	172.6	-73.9	172.1	0	0	0	112.3	L974 N975 E977 G983 I990 L993 K994 I997	L974-L979 HydrophobicContact CB-CD2 3.77Å; L974-L979 HydrophobicContact CB-CG 3.77Å; L974-L979 HydrophobicContact CD1-CD2 3.86Å; L974-L979 HydrophobicContact CG-CD2 4.49Å; N975-L979 WeakPolarHBondContact O-CG 3.01Å; N975-L979 PolarHBondContact O-N 3.14Å; E977-L979 VanDerWaalsContact C-N 3.29Å; E977-L979 PolarHBondContact O-N 3.09Å; L979-G983 PolarHBondContact O-N 3.01Å; L979-I990 HydrophobicContact CB-CG1 4.37Å; L979-I990 HydrophobicContact CB-CG2 4.19Å; L979-I990 HydrophobicContact CD1-CG2 4.33Å; L979-L993 HydrophobicContact CD2-CB 4.19Å; L979-L993 HydrophobicContact CD2-CD1 4.41Å; L979-K994 HydrophobicContact CD1-CG 4.14Å; L979-I997 HydrophobicContact CD2-CD1 3.81Å
980	S	88.3	Confident	82.9	Confident	50 Å²	50	47.1 Å²	47.1	35%	0.35	26%	0.256	S	S	.	.	H	α-helix	trans	-65.6	-51.6	172.2	178.1	0	0	0	0	110.6	T976 E977 A982 G983 E984	T976-S980 PolarHBondContact O-N 2.91Å; E977-S980 WeakPolarHBondContact O-CA 3.4Å; E977-S980 WeakPolarHBondContact O-CB 3.32Å; E977-S980 PolarHBondContact O-N 2.68Å; E977-S980 VanDerWaalsContact O-N 3.07Å; S980-A982 PolarHBondContact O-N 3.44Å; S980-G983 CarbonylContact O-C 3.55Å; S980-G983 WeakPolarHBondContact O-CA 3.39Å; S980-G983 PolarHBondContact O-N 3.21Å; S980-E984 WeakPolarHBondContact O-CG 3.25Å; S980-E984 PolarHBondContact O-N 3.46Å
981	I	86.6	Confident	84.3	Confident	6 Å²	6	44.3 Å²	44.3	3%	0.031	25%	0.25	C	S	.	.	H	α-helix	trans	-58.8	-47.9	176.8	-64.3	164.7	0	0	0	111.2	Y958 K961 P964 E977 G983 E984 M985	Y958-I981 HydrophobicContact CD1-CG2 4.05Å; Y958-I981 HydrophobicContact CE1-CG2 3.82Å; K961-I981 HydrophobicContact CB-CD1 4.32Å; K961-I981 HydrophobicContact CD-CD1 3.78Å; K961-I981 HydrophobicContact CD-CG1 3.78Å; P964-I981 HydrophobicContact CG-CB 4.15Å; P964-I981 HydrophobicContact CG-CG2 3.72Å; E977-I981 HydrophobicContact CG-CD1 4.07Å; E977-I981 WeakPolarHBondContact O-CG1 3.12Å; E977-I981 PolarHBondContact O-N 3.23Å; I981-G983 PolarHBondContact O-N 2.94Å; I981-E984 PolarHBondContact O-N 3.12Å; I981-M985 HydrophobicContact CG2-CG 4.41Å; I981-M985 HydrophobicContact CG2-SD 3.83Å; I981-M985 WeakPolarHBondContact O-CB 3.45Å; I981-M985 VanDerWaalsContact O-CG 3.26Å; I981-M985 WeakPolarHBondContact O-CG 3.44Å; I981-M985 PolarHBondContact O-N 3.31Å
982	A	88.6	Confident	85.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.8	-33.5	175.4	0	0	0	0	0	112.1	L267 P964 S978 S980 T986 L993	L267-A982 HydrophobicContact CD1-CB 3.98Å; L267-A982 HydrophobicContact CD2-CB 4.03Å; P964-A982 HydrophobicContact CB-CB 4.4Å; P964-A982 HydrophobicContact CG-CB 4.11Å; S978-A982 WeakPolarHBondContact O-CB 3.34Å; S978-A982 PolarHBondContact O-N 3.2Å; S980-A982 PolarHBondContact O-N 3.44Å; A982-T986 VanDerWaalsContact O-CB 3.32Å; A982-T986 WeakPolarHBondContact O-CB 3.46Å; A982-T986 VanDerWaalsContact O-CG2 3.26Å; A982-T986 WeakPolarHBondContact O-CG2 3.43Å; A982-T986 PolarHBondContact O-N 2.81Å; A982-T986 PolarHBondContact O-OG1 3.33Å; A982-L993 HydrophobicContact CB-CD1 3.98Å
983	G	90.4	Very high	87.3	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-68.8	-47.8	175.7	0	0	0	0	0	112.6	N942 L979 S980 I981 M985 T986 G987 V988	N942-G983 PolarHBondContact ND2-O 3.38Å; L979-G983 PolarHBondContact O-N 3.01Å; S980-G983 CarbonylContact O-C 3.55Å; S980-G983 WeakPolarHBondContact O-CA 3.39Å; S980-G983 PolarHBondContact O-N 3.21Å; I981-G983 PolarHBondContact O-N 2.94Å; G983-M985 PolarHBondContact O-N 2.98Å; G983-T986 PolarHBondContact O-N 3.12Å; G983-G987 WeakPolarHBondContact O-CA 3.38Å; G983-G987 PolarHBondContact O-N 2.72Å; G983-V988 WeakPolarHBondContact CA-O 3.3Å; G983-V988 PolarHBondContact O-N 2.99Å
984	E	86.2	Confident	88.4	Confident	74 Å²	74	34.3 Å²	34.3	35%	0.346	19%	0.192	S	C	.	.	H	α-helix	trans	-54	-50.9	171.6	-63.6	172.3	155.6	0	0	110.4	Y958 K961 S980 I981 T986	Y958-E984 VanDerWaalsContact CE1-OE2 3.24Å; Y958-E984 WeakPolarHBondContact CE1-OE2 3.47Å; Y958-E984 WeakPolarHBondContact OH-CB 3.28Å; Y958-E984 PolarHBondContact OH-OE2 3.22Å; K961-E984 IonicContact NZ-OE1 2.7Å; K961-E984 PolarHBondContact NZ-OE1 2.73Å; K961-E984 IonicContact NZ-OE2 3.45Å; K961-E984 PolarHBondContact NZ-OE2 3.14Å; S980-E984 WeakPolarHBondContact O-CG 3.25Å; S980-E984 PolarHBondContact O-N 3.46Å; I981-E984 PolarHBondContact O-N 3.12Å; E984-T986 PolarHBondContact O-N 3.1Å
985	M	87.3	Confident	89	Confident	1 Å²	1	35 Å²	35	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-67.9	-30.1	-177.4	-70.9	178.5	74.4	0	0	114.4	Y881 A884 L885 F954 Y958 L963 I981 G983	Y881-M985 HydrophobicContact CD2-CB 4.33Å; Y881-M985 HydrophobicContact CD2-CE 3.8Å; Y881-M985 HydrophobicContact CD2-SD 4.13Å; Y881-M985 HydrophobicContact CE2-CE 3.49Å; Y881-M985 VanDerWaalsContact CE2-CE 3.49Å; Y881-M985 HydrophobicContact CE2-SD 3.69Å; A884-M985 HydrophobicContact CB-CB 3.88Å; A884-M985 HydrophobicContact CB-CE 3.97Å; A884-M985 HydrophobicContact CB-CG 4.31Å; A884-M985 VanDerWaalsContact CB-O 3.24Å; A884-M985 WeakPolarHBondContact CB-O 3.37Å; L885-M985 HydrophobicContact CD2-CE 3.78Å; L885-M985 HydrophobicContact CG-CE 4.11Å; F954-M985 WeakPolarHBondContact CD1-O 3.43Å; Y958-M985 HydrophobicContact CD1-SD 4.47Å; Y958-M985 HydrophobicContact CD2-CG 4.15Å; Y958-M985 HydrophobicContact CE1-CG 4.16Å; Y958-M985 HydrophobicContact CE2-CG 3.72Å; L963-M985 HydrophobicContact CD2-CE 4.39Å; L963-M985 HydrophobicContact CD2-SD 4.49Å; I981-M985 HydrophobicContact CG2-CG 4.41Å; I981-M985 HydrophobicContact CG2-SD 3.83Å; I981-M985 WeakPolarHBondContact O-CB 3.45Å; I981-M985 VanDerWaalsContact O-CG 3.26Å; I981-M985 WeakPolarHBondContact O-CG 3.44Å; I981-M985 PolarHBondContact O-N 3.31Å; G983-M985 PolarHBondContact O-N 2.98Å
986	T	91	Very high	89.3	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-96.1	-18.8	-179	57	0	0	0	0	113.6	L267 I877 R880 A982 G983 E984 V988	L267-T986 HydrophobicContact CD1-CG2 3.92Å; I877-T986 HydrophobicContact CG2-CG2 4.2Å; R880-T986 HydrophobicContact CB-CG2 4.36Å; R880-T986 PolarHBondContact NH1-O 3.37Å; A982-T986 VanDerWaalsContact O-CB 3.32Å; A982-T986 WeakPolarHBondContact O-CB 3.46Å; A982-T986 VanDerWaalsContact O-CG2 3.26Å; A982-T986 WeakPolarHBondContact O-CG2 3.43Å; A982-T986 PolarHBondContact O-N 2.81Å; A982-T986 PolarHBondContact O-OG1 3.33Å; G983-T986 PolarHBondContact O-N 3.12Å; E984-T986 PolarHBondContact O-N 3.1Å; T986-V988 VanDerWaalsContact C-N 3.31Å; T986-V988 WeakPolarHBondContact OG1-CB 3.35Å; T986-V988 PolarHBondContact OG1-N 3.06Å
987	G	89.7	Confident	89.6	Confident	7 Å²	7	27.4 Å²	27.4	7%	0.072	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	24.6	-167.9	0	0	0	0	0	113.2	G983	G983-G987 WeakPolarHBondContact O-CA 3.38Å; G983-G987 PolarHBondContact O-N 2.72Å
988	V	92.3	Very high	89.8	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.147	C	C	.	.			trans	-120.5	130	-176.1	-176.3	0	0	0	0	109.9	F936 L937 Y940 N942 G983 T986 L993	F936-V988 HydrophobicContact CE1-CG1 3.8Å; F936-V988 HydrophobicContact CE1-CG2 4.07Å; F936-V988 HydrophobicContact CZ-CG1 3.85Å; L937-V988 HydrophobicContact CD2-CG2 3.98Å; Y940-V988 CarbonylContact O-C 3.37Å; Y940-V988 WeakPolarHBondContact O-CA 3.41Å; N942-V988 VanDerWaalsContact OD1-C 3.26Å; N942-V988 PolarHBondContact OD1-O 2.99Å; G983-V988 WeakPolarHBondContact CA-O 3.3Å; G983-V988 PolarHBondContact O-N 2.99Å; T986-V988 VanDerWaalsContact C-N 3.31Å; T986-V988 WeakPolarHBondContact OG1-CB 3.35Å; T986-V988 PolarHBondContact OG1-N 3.06Å; V988-L993 HydrophobicContact CB-CD2 4.15Å; V988-L993 HydrophobicContact CB-CG 4.31Å; V988-L993 HydrophobicContact CG1-CD2 4.07Å; V988-L993 HydrophobicContact CG1-CG 4.11Å
989	S	92.7	Very high	89.9	Confident	24 Å²	24	28.1 Å²	28.1	17%	0.168	16%	0.161	C	C	.	.			trans	-62.7	152.8	-178.3	71.2	0	0	0	0	112.9	Y940 N942 A991 G992 L993	Y940-S989 PolarHBondContact O-N 3.06Å; N942-S989 WeakPolarHBondContact OD1-CA 3.34Å; N942-S989 PolarHBondContact OD1-N 3.03Å; S989-A991 PolarHBondContact O-N 3.34Å; S989-A991 VanDerWaalsContact O-N 3.1Å; S989-G992 WeakPolarHBondContact O-CA 3.43Å; S989-G992 PolarHBondContact O-N 3.43Å; S989-G992 PolarHBondContact OG-N 3.49Å; S989-L993 PolarHBondContact O-N 3.19Å
990	I	92.2	Very high	89.6	Confident	61 Å²	61	27.7 Å²	27.7	31%	0.313	16%	0.158	S	C	.	.	H	α-helix	trans	-53.7	-32.8	174.8	-62.6	176.1	0	0	0	110.8	L979 K994	L979-I990 HydrophobicContact CB-CG1 4.37Å; L979-I990 HydrophobicContact CB-CG2 4.19Å; L979-I990 HydrophobicContact CD1-CG2 4.33Å; I990-K994 HydrophobicContact CG2-CD 4.04Å; I990-K994 HydrophobicContact CG2-CG 4.4Å; I990-K994 VanDerWaalsContact O-CB 3.28Å; I990-K994 WeakPolarHBondContact O-CB 3.27Å; I990-K994 VanDerWaalsContact O-CG 3.23Å; I990-K994 WeakPolarHBondContact O-CG 3.31Å; I990-K994 PolarHBondContact O-N 2.83Å
991	A	91.1	Very high	89.4	Confident	59 Å²	59	29.2 Å²	29.2	49%	0.488	16%	0.159	S	C	.	.	H	α-helix	trans	-66.2	-44	173.1	0	0	0	0	0	112.7	S989 S995	S989-A991 PolarHBondContact O-N 3.34Å; S989-A991 VanDerWaalsContact O-N 3.1Å; A991-S995 VanDerWaalsContact O-CB 3.3Å; A991-S995 WeakPolarHBondContact O-CB 3.29Å; A991-S995 PolarHBondContact O-N 3.15Å
992	G	92	Very high	88.9	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.2	-44	175.5	0	0	0	0	0	113	Y940 S989 S995 V996	Y940-G992 VanDerWaalsContact CG-CA 3.42Å; S989-G992 WeakPolarHBondContact O-CA 3.43Å; S989-G992 PolarHBondContact O-N 3.43Å; S989-G992 PolarHBondContact OG-N 3.49Å; G992-S995 WeakPolarHBondContact O-CB 3.33Å; G992-S995 PolarHBondContact O-N 2.89Å; G992-V996 PolarHBondContact O-N 3.13Å
993	L	92.7	Very high	87.7	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-60.6	-50.1	174.2	-66.6	179.4	0	0	0	111	I877 L979 A982 V988 S989 S995 V996 I997	I877-L993 HydrophobicContact CD1-CD2 4.48Å; I877-L993 HydrophobicContact CG2-CD2 3.81Å; L979-L993 HydrophobicContact CD2-CB 4.19Å; L979-L993 HydrophobicContact CD2-CD1 4.41Å; A982-L993 HydrophobicContact CB-CD1 3.98Å; V988-L993 HydrophobicContact CB-CD2 4.15Å; V988-L993 HydrophobicContact CB-CG 4.31Å; V988-L993 HydrophobicContact CG1-CD2 4.07Å; V988-L993 HydrophobicContact CG1-CG 4.11Å; S989-L993 PolarHBondContact O-N 3.19Å; L993-S995 VanDerWaalsContact C-N 3.3Å; L993-S995 PolarHBondContact O-N 2.87Å; L993-V996 PolarHBondContact O-N 3.2Å; L993-I997 WeakPolarHBondContact O-CB 3.47Å; L993-I997 WeakPolarHBondContact O-CD1 3.27Å; L993-I997 WeakPolarHBondContact O-CG1 3.24Å; L993-I997 PolarHBondContact O-N 3.46Å
994	K	91.7	Very high	85.5	Confident	97 Å²	97	43 Å²	43	42%	0.422	23%	0.226	S	C	.	.	H	α-helix	trans	-59.2	-38.7	175.4	-76.1	177.2	178.8	-178.1	0	112.5	L979 I990 N998	L979-K994 HydrophobicContact CD1-CG 4.14Å; I990-K994 HydrophobicContact CG2-CD 4.04Å; I990-K994 HydrophobicContact CG2-CG 4.4Å; I990-K994 VanDerWaalsContact O-CB 3.28Å; I990-K994 WeakPolarHBondContact O-CB 3.27Å; I990-K994 VanDerWaalsContact O-CG 3.23Å; I990-K994 WeakPolarHBondContact O-CG 3.31Å; I990-K994 PolarHBondContact O-N 2.83Å; K994-N998 VanDerWaalsContact O-CB 3.31Å; K994-N998 WeakPolarHBondContact O-CB 2.93Å; K994-N998 PolarHBondContact O-N 3.38Å; K994-N998 PolarHBondContact O-ND2 3.29Å
995	S	90.2	Very high	83.5	Confident	36 Å²	36	43.1 Å²	43.1	25%	0.252	23%	0.226	S	C	.	.	H	α-helix	trans	-59.3	-53.3	176.1	-172.5	0	0	0	0	111.3	Y940 A991 G992 L993 N998 L999	Y940-S995 PolarHBondContact OH-OG 2.69Å; A991-S995 VanDerWaalsContact O-CB 3.3Å; A991-S995 WeakPolarHBondContact O-CB 3.29Å; A991-S995 PolarHBondContact O-N 3.15Å; G992-S995 WeakPolarHBondContact O-CB 3.33Å; G992-S995 PolarHBondContact O-N 2.89Å; L993-S995 VanDerWaalsContact C-N 3.3Å; L993-S995 PolarHBondContact O-N 2.87Å; S995-N998 PolarHBondContact O-N 2.62Å; S995-L999 WeakPolarHBondContact O-CG 3.14Å; S995-L999 PolarHBondContact O-N 3.02Å
996	V	90.5	Very high	81.6	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.012	24%	0.237	C	C	.	.	H	α-helix	trans	-67.9	-38	179.5	-179.8	0	0	0	0	112	L268 L870 V874 I877 F936 G992 L993 N998 L999 C1000	L268-V996 HydrophobicContact CD1-CG1 3.84Å; L268-V996 HydrophobicContact CD2-CB 4.45Å; L268-V996 HydrophobicContact CD2-CG1 4.1Å; L870-V996 HydrophobicContact CD1-CG1 4.05Å; V874-V996 HydrophobicContact CG2-CG1 4.19Å; I877-V996 HydrophobicContact CD1-CB 4.05Å; I877-V996 HydrophobicContact CD1-CG1 4.01Å; I877-V996 HydrophobicContact CD1-CG2 3.88Å; F936-V996 HydrophobicContact CE2-CG2 3.57Å; F936-V996 HydrophobicContact CZ-CG2 3.74Å; G992-V996 PolarHBondContact O-N 3.13Å; L993-V996 PolarHBondContact O-N 3.2Å; V996-N998 PolarHBondContact O-N 3.45Å; V996-L999 PolarHBondContact O-N 3.47Å; V996-C1000 WeakPolarHBondContact O-CB 3.49Å; V996-C1000 PolarHBondContact O-N 3.3Å; V996-C1000 PolarHBondContact O-SG 3.22Å
997	I	89.9	Confident	78.9	Confident	21 Å²	21	50.6 Å²	50.6	11%	0.108	26%	0.261	C	S	.	.	H	α-helix	trans	-57.7	-48	173.2	-72.6	166.6	0	0	0	110.6	L268 P269 L974 L979 L993 L999 C1000 K1001	L268-I997 HydrophobicContact CD2-CD1 4.43Å; L268-I997 HydrophobicContact CD2-CG1 3.52Å; P269-I997 HydrophobicContact CG-CG2 4.13Å; L974-I997 HydrophobicContact CD1-CD1 4.43Å; L979-I997 HydrophobicContact CD2-CD1 3.81Å; L993-I997 WeakPolarHBondContact O-CB 3.47Å; L993-I997 WeakPolarHBondContact O-CD1 3.27Å; L993-I997 WeakPolarHBondContact O-CG1 3.24Å; L993-I997 PolarHBondContact O-N 3.46Å; I997-L999 VanDerWaalsContact C-N 3.34Å; I997-L999 PolarHBondContact O-N 2.93Å; I997-C1000 PolarHBondContact O-N 3.35Å; I997-K1001 HydrophobicContact CG2-CD 4.33Å; I997-K1001 WeakPolarHBondContact O-CG 3.35Å; I997-K1001 PolarHBondContact O-N 2.94Å
998	N	88.6	Confident	76.1	Confident	84 Å²	84	54.8 Å²	54.8	45%	0.449	29%	0.289	S	S	.	.	H	α-helix	trans	-66	-35.4	179.9	-73.5	-19.8	0	0	0	112.4	K994 S995 V996 K1001 K1002	K994-N998 VanDerWaalsContact O-CB 3.31Å; K994-N998 WeakPolarHBondContact O-CB 2.93Å; K994-N998 PolarHBondContact O-N 3.38Å; K994-N998 PolarHBondContact O-ND2 3.29Å; S995-N998 PolarHBondContact O-N 2.62Å; V996-N998 PolarHBondContact O-N 3.45Å; N998-K1001 PolarHBondContact O-N 3.27Å; N998-K1002 WeakPolarHBondContact O-CG 3.31Å; N998-K1002 PolarHBondContact O-N 3.32Å; N998-K1002 VanDerWaalsContact O-N 3.1Å
999	L	86.8	Confident	73.2	Confident	56 Å²	56	60.1 Å²	60.1	29%	0.293	32%	0.317	S	S	.	.	H	α-helix	trans	-65.8	-42.7	171.3	-70	168.6	0	0	0	111.6	L865 L870 S995 V996 I997 K1001 K1002 A1003	L865-L999 HydrophobicContact CD1-CD1 3.67Å; L870-L999 HydrophobicContact CD1-CB 3.76Å; L870-L999 HydrophobicContact CD1-CD1 4.18Å; L870-L999 HydrophobicContact CD2-CB 4.07Å; S995-L999 WeakPolarHBondContact O-CG 3.14Å; S995-L999 PolarHBondContact O-N 3.02Å; V996-L999 PolarHBondContact O-N 3.47Å; I997-L999 VanDerWaalsContact C-N 3.34Å; I997-L999 PolarHBondContact O-N 2.93Å; L999-K1001 VanDerWaalsContact C-N 3.32Å; L999-K1001 PolarHBondContact O-N 2.77Å; L999-K1002 PolarHBondContact O-N 3.13Å; L999-A1003 WeakPolarHBondContact O-CB 3.39Å; L999-A1003 PolarHBondContact O-N 3.47Å
1000	C	83.2	Confident	70.1	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-69.4	-25.9	177.1	-63	0	0	0	0	113.7	P269 N270 V874 V996 I997	P269-C1000 HydrophobicContact CG-CB 4.13Å; N270-C1000 PolarHBondContact ND2-O 3.25Å; N270-C1000 VanDerWaalsContact ND2-O 3.15Å; V874-C1000 VanDerWaalsContact CG2-SG 3.54Å; V996-C1000 WeakPolarHBondContact O-CB 3.49Å; V996-C1000 PolarHBondContact O-N 3.3Å; V996-C1000 PolarHBondContact O-SG 3.22Å; I997-C1000 PolarHBondContact O-N 3.35Å
1001	K	83.6	Confident	67.1	Low	83 Å²	83	64.7 Å²	64.7	36%	0.361	34%	0.344	S	S	.	.	H	α-helix	trans	-69.8	-43	168.5	-74	178.8	173	-175.6	0	111.8	P269 E973 I997 N998 L999	P269-K1001 HydrophobicContact CB-CG 4.5Å; P269-K1001 HydrophobicContact CG-CG 3.77Å; E973-K1001 VanDerWaalsContact CD-NZ 3.29Å; E973-K1001 WeakPolarHBondContact OE1-CE 3.42Å; E973-K1001 IonicContact OE1-NZ 2.89Å; E973-K1001 PolarHBondContact OE1-NZ 3.26Å; E973-K1001 IonicContact OE2-NZ 3.43Å; E973-K1001 PolarHBondContact OE2-NZ 3.05Å; I997-K1001 HydrophobicContact CG2-CD 4.33Å; I997-K1001 WeakPolarHBondContact O-CG 3.35Å; I997-K1001 PolarHBondContact O-N 2.94Å; N998-K1001 PolarHBondContact O-N 3.27Å; L999-K1001 VanDerWaalsContact C-N 3.32Å; L999-K1001 PolarHBondContact O-N 2.77Å
1002	K	77.3	Confident	64	Low	149 Å²	149	68.4 Å²	68.4	65%	0.648	36%	0.363	S	S	*	.	H	α-helix	trans	-73.5	-35	178.5	-71.9	175.3	177.5	-174.1	0	113.2	N998 L999 I1004	N998-K1002 WeakPolarHBondContact O-CG 3.31Å; N998-K1002 PolarHBondContact O-N 3.32Å; N998-K1002 VanDerWaalsContact O-N 3.1Å; L999-K1002 PolarHBondContact O-N 3.13Å; K1002-I1004 VanDerWaalsContact C-N 3.33Å; K1002-I1004 PolarHBondContact O-N 2.85Å
1003	A	62.1	Low	61	Low	14 Å²	14	73.7 Å²	73.7	12%	0.116	39%	0.391	C	S	.	.			trans	-81.8	68.5	-174	0	0	0	0	0	113.1	L870 L999 H1005 L1006	L870-A1003 HydrophobicContact CD2-CB 3.77Å; L999-A1003 WeakPolarHBondContact O-CB 3.39Å; L999-A1003 PolarHBondContact O-N 3.47Å; A1003-H1005 PolarHBondContact O-N 3.29Å; A1003-H1005 VanDerWaalsContact O-N 3.09Å; A1003-L1006 HydrophobicContact CB-CD1 4.23Å; A1003-L1006 HydrophobicContact CB-CG 4.16Å; A1003-L1006 PolarHBondContact O-N 3.12Å
1004	I	45	Very low	57.8	Low	133 Å²	133	81.5 Å²	81.5	68%	0.682	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-51.7	-33.7	174.9	-60	174.3	0	0	0	111.5	K1002 L1006 K1007	K1002-I1004 VanDerWaalsContact C-N 3.33Å; K1002-I1004 PolarHBondContact O-N 2.85Å; I1004-L1006 PolarHBondContact O-N 2.86Å; I1004-L1006 VanDerWaalsContact O-N 3.14Å; I1004-K1007 PolarHBondContact O-N 3.23Å
1005	H	44.1	Very low	54.8	Low	76 Å²	76	82.1 Å²	82.1	35%	0.352	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-71.9	10.1	176.8	-82.7	-68	0	0	0	116.6	A1003	A1003-H1005 PolarHBondContact O-N 3.29Å; A1003-H1005 VanDerWaalsContact O-N 3.09Å
1006	L	46.7	Very low	51.9	Low	44 Å²	44	84.2 Å²	84.2	23%	0.23	45%	0.453	C	S	.	.	G	3₁₀ helix	trans	-74.6	-11.7	160.9	-72.6	176	0	0	0	112.7	L870 R871 A1003 I1004	L870-L1006 HydrophobicContact CD2-CD1 4.04Å; L870-L1006 HydrophobicContact CG-CD1 4.47Å; R871-L1006 HydrophobicContact CB-CD2 4.43Å; A1003-L1006 HydrophobicContact CB-CD1 4.23Å; A1003-L1006 HydrophobicContact CB-CG 4.16Å; A1003-L1006 PolarHBondContact O-N 3.12Å; I1004-L1006 PolarHBondContact O-N 2.86Å; I1004-L1006 VanDerWaalsContact O-N 3.14Å
1007	K	34.6	Very low	49.1	Very low	115 Å²	115	90.2 Å²	90.2	50%	0.5	48%	0.481	S	S	.	.	S	Bend	trans	-93.3	167.4	168.2	-73.8	166.9	171.3	167.1	0	111.4	N270 I1004	N270-K1007 WeakPolarHBondContact OD1-CE 3.43Å; N270-K1007 PolarHBondContact OD1-NZ 3.42Å; I1004-K1007 PolarHBondContact O-N 3.23Å
1008	S	31.8	Very low	46.3	Very low	94 Å²	94	96.3 Å²	96.3	66%	0.657	51%	0.507	S	S	*	.			trans	-49.1	147.2	-177.1	-176.6	0	0	0	0	113.8	D1010	S1008-D1010 WeakPolarHBondContact CB-OD2 3.49Å; S1008-D1010 PolarHBondContact O-N 3.35Å; S1008-D1010 PolarHBondContact OG-OD2 3.48Å
1009	L	30.3	Very low	43.6	Very low	113 Å²	113	101 Å²	101	59%	0.592	52%	0.523	S	S	*	.			trans	-84.6	51.6	-172.2	-110	144.3	0	0	0	112.7	I792 S1011	I792-L1009 HydrophobicContact CD1-CD1 4.49Å; L1009-S1011 PolarHBondContact O-N 2.9Å; L1009-S1011 VanDerWaalsContact O-N 3.15Å
1010	D	27.9	Very low	40.8	Very low	128 Å²	128	104 Å²	104	68%	0.684	53%	0.534	S	S	*	.			trans	-86	38.9	-180	-65.5	-70.8	0	0	0	113	S1008	S1008-D1010 WeakPolarHBondContact CB-OD2 3.49Å; S1008-D1010 PolarHBondContact O-N 3.35Å; S1008-D1010 PolarHBondContact OG-OD2 3.48Å
1011	S	28.4	Very low	38.1	Very low	53 Å²	53	109.6 Å²	109.6	37%	0.371	57%	0.568	S	S	.	*	S	Bend	trans	-163.8	139.6	163.2	52.8	0	0	0	0	112.9	L1009 L1013	L1009-S1011 PolarHBondContact O-N 2.9Å; L1009-S1011 VanDerWaalsContact O-N 3.15Å; S1011-L1013 VanDerWaalsContact C-N 3.29Å; S1011-L1013 PolarHBondContact O-N 2.98Å
1012	P	25.8	Very low	35.5	Very low	137 Å²	137	115.1 Å²	115.1	89%	0.89	60%	0.595	S	S	*	*			trans	-84.9	62.6	178.8	35.8	-36.3	0	0	0	112
1013	L	29	Very low	33.2	Very low	111 Å²	111	111.5 Å²	111.5	58%	0.581	59%	0.589	S	S	*	*			trans	-82.3	142.8	174.1	-80.8	166.3	0	0	0	111.8	S1011	S1011-L1013 VanDerWaalsContact C-N 3.29Å; S1011-L1013 PolarHBondContact O-N 2.98Å
1014	K	26.7	Very low	31.4	Very low	165 Å²	165	117.2 Å²	117.2	72%	0.717	62%	0.617	S	S	*	*			trans	-76.3	129	-169.4	-63.4	170.7	-175.9	169.3	0	110.5	T1016 Q1017	K1014-T1016 PolarHBondContact O-N 3.43Å; K1014-Q1017 PolarHBondContact O-N 3.02Å
1015	S	29	Very low	30.6	Very low	110 Å²	110	115.1 Å²	115.1	77%	0.769	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-58.6	-7.2	177.9	51.6	0	0	0	0	115.3
1016	T	29.7	Very low	29.9	Very low	81 Å²	81	119.3 Å²	119.3	50%	0.497	65%	0.645	S	S	.	*	G	3₁₀ helix	trans	-72.5	-19.7	175.2	51.5	0	0	0	0	114.4	K1014 F1019 K1020	K1014-T1016 PolarHBondContact O-N 3.43Å; T1016-F1019 PolarHBondContact O-N 3.28Å; T1016-K1020 PolarHBondContact O-N 3.27Å
1017	Q	31.1	Very low	29	Very low	128 Å²	128	123.3 Å²	123.3	60%	0.598	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-76.5	-18.4	-175.9	-76.5	-178.9	-57	0	0	114.5	K1014 F1019	K1014-Q1017 PolarHBondContact O-N 3.02Å; Q1017-F1019 VanDerWaalsContact C-N 3.27Å; Q1017-F1019 PolarHBondContact O-N 3.07Å
1018	F	30.3	Very low	28.7	Very low	149 Å²	149	127.5 Å²	127.5	65%	0.654	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-76.7	-12.5	170.5	-103.2	-92.3	0	0	0	113.6
1019	F	33	Very low	28.6	Very low	181 Å²	181	129.6 Å²	129.6	79%	0.794	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-123	17.2	-176.6	-75.1	-82.5	0	0	0	113.2	T1016 Q1017	T1016-F1019 PolarHBondContact O-N 3.28Å; Q1017-F1019 VanDerWaalsContact C-N 3.27Å; Q1017-F1019 PolarHBondContact O-N 3.07Å
1020	K	26.8	Very low	28.5	Very low	121 Å²	121	128.7 Å²	128.7	53%	0.526	71%	0.707	S	S	.	*			trans	-139.2	75.7	177.9	-85.1	-165.7	149.9	-113.7	0	112.7	T1016 D1024	T1016-K1020 PolarHBondContact O-N 3.27Å; K1020-D1024 IonicContact NZ-OD2 3.3Å; K1020-D1024 PolarHBondContact NZ-OD2 2.9Å
1021	T	26.7	Very low	28.5	Very low	116 Å²	116	130 Å²	130	71%	0.712	71%	0.714	S	S	*	*	S	Bend	trans	-138.1	42.7	163.8	59.4	0	0	0	0	111
1022	Q	29.4	Very low	28.4	Very low	200 Å²	200	133 Å²	133	94%	0.935	73%	0.733	S	S	*	*	S	Bend	trans	-155.3	33.2	175.4	-124.5	170.1	38.6	0	0	113.4
1023	S	28.1	Very low	28.5	Very low	72 Å²	72	131.2 Å²	131.2	50%	0.503	72%	0.724	S	S	.	*	S	Bend	trans	-150.5	173.8	164.6	75.4	0	0	0	0	108.6
1024	D	26	Very low	28.4	Very low	135 Å²	135	130.8 Å²	130.8	72%	0.722	73%	0.731	S	S	*	*			trans	79	45.3	168.3	-41.8	-8.7	0	0	0	115	K1020	K1020-D1024 IonicContact NZ-OD2 3.3Å; K1020-D1024 PolarHBondContact NZ-OD2 2.9Å
1025	A	28.1	Very low	28.5	Very low	89 Å²	89	129 Å²	129	74%	0.736	73%	0.729	S	S	*	*			trans	-141.6	60.3	170.1	0	0	0	0	0	113.6
1026	N	27.9	Very low	28.5	Very low	164 Å²	164	128.6 Å²	128.6	88%	0.877	71%	0.713	S	S	*	*			trans	173.4	108.7	148.7	-94.9	-19.8	0	0	0	111.3
1027	S	28.7	Very low	28.4	Very low	127 Å²	127	128.6 Å²	128.6	89%	0.888	71%	0.709	S	S	*	*			trans	178.1	101.1	151.4	26.6	0	0	0	0	111.2
1028	K	28.4	Very low	28.2	Very low	204 Å²	204	128.5 Å²	128.5	89%	0.887	71%	0.713	S	S	*	*			trans	-126.6	92.4	159.9	-88.3	-170.8	176.6	179.6	0	108.6
1029	T	29.6	Very low	28.1	Very low	138 Å²	138	129.4 Å²	129.4	85%	0.847	72%	0.719	S	S	*	*			trans	-175	140.6	141.1	23	0	0	0	0	112.4
1030	S	29	Very low	27.8	Very low	93 Å²	93	131.7 Å²	131.7	65%	0.65	72%	0.722	S	S	*	*			trans	38.4	102.9	151	59.6	0	0	0	0	122.2
1031	N	27	Very low	27.7	Very low	157 Å²	157	135.1 Å²	135.1	84%	0.84	74%	0.74	S	S	*	*				73.2	152.9	119.4	-62	-4.1	0	0	0	123.5
1032	C	26	Very low	27.6	Very low	115 Å²	115	137.7 Å²	137.7	78%	0.777	74%	0.738	S	S	*	*			trans	71.9	89.5	159.4	-69.2	0	0	0	0	120.9
1033	S	27.7	Very low	27.5	Very low	100 Å²	100	137 Å²	137	70%	0.699	73%	0.734	S	S	*	*				64.3	98.8	119.7	63.4	0	0	0	0	121.6
1034	S	28	Very low	27.5	Very low	102 Å²	102	142 Å²	142	71%	0.713	75%	0.747	S	S	*	*				88.6	143.9	123.5	79.4	0	0	0	0	121.5
1035	N	29	Very low	27.5	Very low	128 Å²	128	143 Å²	143	68%	0.684	75%	0.751	S	S	*	*			trans	78.6	81.6	155.6	-62.7	-33.2	0	0	0	121.6
1036	K	28.3	Very low	27.5	Very low	101 Å²	101	144.3 Å²	144.3	44%	0.439	75%	0.745	S	S	.	*				72.9	105	111.1	-76.6	179	179.9	-165	0	120.7	S1254	K1036-S1254 WeakPolarHBondContact CD-OG 3.09Å; K1036-S1254 WeakPolarHBondContact CE-OG 3.27Å; K1036-S1254 PolarHBondContact NZ-O 3.26Å
1037	I	28.1	Very low	27.5	Very low	81 Å²	81	143.2 Å²	143.2	42%	0.415	74%	0.739	S	S	.	*				127.1	146	120.5	-69.1	152.2	0	0	0	119
1038	D	26.9	Very low	27.5	Very low	126 Å²	126	141.9 Å²	141.9	67%	0.674	73%	0.73	S	S	*	*			trans	-41.6	152.9	170	-56	-95.2	0	0	0	115.8
1039	H	28.6	Very low	27.6	Very low	167 Å²	167	137.6 Å²	137.6	77%	0.773	72%	0.721	S	S	*	*			cis	-148.3	167.5	39	-87.3	-68.3	0	0	0	114.9
1040	R	25.1	Very low	27.5	Very low	229 Å²	229	138.2 Å²	138.2	86%	0.864	72%	0.719	S	S	*	*			trans	-16.7	130.8	163.8	-55.6	171	178.6	173.2	-2.8	117.6
1041	E	25.9	Very low	27.4	Very low	194 Å²	194	141.2 Å²	141.2	91%	0.907	73%	0.727	S	S	*	*				-171.4	178.1	108.9	-108.3	172	-172.1	0	0	112.6
1042	Y	24	Very low	27.6	Very low	169 Å²	169	137 Å²	137	66%	0.663	72%	0.72	S	S	*	*			trans	-76.8	158.7	-176.7	-78.6	-156	0	0	0	113.2	E848	E848-Y1042 VanDerWaalsContact OE1-CE1 3.28Å; E848-Y1042 WeakPolarHBondContact OE1-CE1 3.22Å; E848-Y1042 PolarHBondContact OE1-OH 3.5Å
1043	H	28.3	Very low	27.6	Very low	185 Å²	185	141.6 Å²	141.6	86%	0.856	72%	0.723	S	S	*	*				-174.2	174.3	112.8	-101.1	-69.8	0	0	0	113.7
1044	K	26.6	Very low	27.8	Very low	178 Å²	178	144.6 Å²	144.6	77%	0.774	73%	0.725	S	S	*	*			trans	-89.6	166.4	-173.2	-54	167.8	-178.5	169.8	0	112.3
1045	I	27.2	Very low	27.8	Very low	156 Å²	156	145.2 Å²	145.2	80%	0.8	72%	0.721	S	S	*	*				177.2	123.9	112.6	-89.4	159.2	0	0	0	112.9
1046	N	27.5	Very low	27.7	Very low	117 Å²	117	145 Å²	145	63%	0.626	72%	0.719	S	S	*	*			trans	29.1	136.6	145.5	-65.3	54.2	0	0	0	126.4
1047	D	28.5	Very low	27.6	Very low	140 Å²	140	146.9 Å²	146.9	75%	0.749	73%	0.733	S	S	*	*				59.2	155	128.8	-42.5	-25.7	0	0	0	121.3
1048	S	29.1	Very low	27.5	Very low	99 Å²	99	147.9 Å²	147.9	69%	0.692	75%	0.747	S	S	*	*			cis	-157.8	170.7	16.5	61.2	0	0	0	0	114.5
1049	T	28.6	Very low	27.4	Very low	115 Å²	115	148.4 Å²	148.4	71%	0.706	75%	0.754	S	S	*	*			trans	63	121.2	158.8	46.3	0	0	0	0	120.3
1050	L	27.8	Very low	27.2	Very low	151 Å²	151	149 Å²	149	79%	0.791	76%	0.758	S	S	*	*				71.2	142.4	75.3	-84.7	73.6	0	0	0	113.5
1051	L	28	Very low	27.1	Very low	156 Å²	156	142.7 Å²	142.7	82%	0.817	75%	0.748	S	S	*	*			cis	-160.2	164.4	9.2	-132	174.8	0	0	0	110.7
1052	G	29.7	Very low	27.1	Very low	68 Å²	68	142 Å²	142	70%	0.701	75%	0.745	S	S	*	*			trans	148.8	130.7	162.4	0	0	0	0	0	116.5
1053	Y	27.3	Very low	27.1	Very low	212 Å²	212	139.7 Å²	139.7	83%	0.831	75%	0.752	S	S	*	*			trans	-133.1	143.1	-178.5	-96.6	-98.3	0	0	0	111.8
1054	H	32.1	Very low	26.9	Very low	162 Å²	162	139 Å²	139	75%	0.75	75%	0.753	S	S	*	*				173.3	142.8	116.5	-100.8	-71	0	0	0	114
1055	N	28.1	Very low	27	Very low	116 Å²	116	136.5 Å²	136.5	62%	0.62	75%	0.748	S	S	*	*			trans	24.4	147	134.2	-66.2	49.7	0	0	0	121.1
1056	D	27	Very low	27	Very low	123 Å²	123	135.6 Å²	135.6	66%	0.658	74%	0.744	S	S	*	*			cis	-159.6	159.3	15.3	-121.3	-35.3	0	0	0	114.7
1057	I	26	Very low	27	Very low	141 Å²	141	136.3 Å²	136.3	72%	0.723	75%	0.748	S	S	*	*			trans	61	133	148.4	-68.2	160.2	0	0	0	122.8
1058	S	24.1	Very low	27	Very low	101 Å²	101	136.6 Å²	136.6	71%	0.706	75%	0.75	S	S	*	*			trans	93.5	105.5	149.8	68.2	0	0	0	0	123
1059	V	25.9	Very low	27	Very low	138 Å²	138	138.2 Å²	138.2	84%	0.836	75%	0.749	S	S	*	*			trans	70.1	149.7	142.1	-169	0	0	0	0	118.5
1060	E	23.9	Very low	26.9	Very low	180 Å²	180	142.1 Å²	142.1	84%	0.841	76%	0.756	S	S	*	*			trans	77.5	147	177.9	-53.9	-145.6	123.2	0	0	119.8
1061	S	24.4	Very low	26.8	Very low	96 Å²	96	139.7 Å²	139.7	67%	0.671	75%	0.748	S	S	*	*			trans	43.9	113.8	153.8	58.4	0	0	0	0	123
1062	Q	24.7	Very low	26.8	Very low	178 Å²	178	140.2 Å²	140.2	83%	0.832	75%	0.75	S	S	*	*			trans	72.5	162.1	138.8	-58	-177.7	16.8	0	0	119.5
1063	C	23.8	Very low	26.8	Very low	121 Å²	121	143.9 Å²	143.9	82%	0.818	76%	0.758	S	S	*	*			trans	48.6	96.6	165.1	-64.3	0	0	0	0	118.9
1064	I	25	Very low	26.7	Very low	172 Å²	172	144.2 Å²	144.2	88%	0.882	76%	0.758	S	S	*	*			trans	-116.6	104.3	154.2	-60.5	-178.2	0	0	0	109.7
1065	D	28.2	Very low	26.5	Very low	125 Å²	125	142.9 Å²	142.9	67%	0.668	76%	0.762	S	S	*	*			trans	21.3	128.7	156.7	-139.5	-46	0	0	0	121.8	N1067	D1065-N1067 WeakPolarHBondContact OD1-CB 3.29Å; D1065-N1067 PolarHBondContact OD1-N 3.1Å; D1065-N1067 PolarHBondContact OD1-ND2 3.39Å
1066	L	26.2	Very low	26.5	Very low	136 Å²	136	142.5 Å²	142.5	71%	0.712	76%	0.76	S	S	*	*			trans	-103.9	38.3	-178.2	-91	167.6	0	0	0	113.7	I1069	L1066-I1069 HydrophobicContact CD2-CD1 4.01Å
1067	N	27.4	Very low	26.5	Very low	132 Å²	132	145.4 Å²	145.4	71%	0.706	77%	0.769	S	S	*	*			trans	-102.3	-5	-174	-88.2	-63.9	0	0	0	117.9	D1065	D1065-N1067 WeakPolarHBondContact OD1-CB 3.29Å; D1065-N1067 PolarHBondContact OD1-N 3.1Å; D1065-N1067 PolarHBondContact OD1-ND2 3.39Å
1068	N	29.4	Very low	26.5	Very low	146 Å²	146	142.7 Å²	142.7	78%	0.781	76%	0.762	S	S	*	*			trans	-98.5	10.1	-176.2	-89.2	-45.4	0	0	0	116.4	K1070	N1068-K1070 VanDerWaalsContact C-N 3.27Å; N1068-K1070 PolarHBondContact O-N 2.97Å; N1068-K1070 VanDerWaalsContact O-N 3.12Å
1069	I	28.5	Very low	26.7	Very low	134 Å²	134	142.5 Å²	142.5	69%	0.687	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	52.2	-178.2	-42	-176	0	0	0	111.9	L1066	L1066-I1069 HydrophobicContact CD2-CD1 4.01Å
1070	K	27.4	Very low	26.8	Very low	196 Å²	196	139.8 Å²	139.8	85%	0.852	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.3	7.2	169.4	-106.4	179.1	-179.6	175.4	0	114.3	N1068	N1068-K1070 VanDerWaalsContact C-N 3.27Å; N1068-K1070 PolarHBondContact O-N 2.97Å; N1068-K1070 VanDerWaalsContact O-N 3.12Å
1071	T	26.1	Very low	27	Very low	100 Å²	100	139 Å²	139	61%	0.613	74%	0.738	S	S	*	*			trans	-132.4	96.4	-172.1	-50.2	0	0	0	0	111.1
1072	I	27.7	Very low	27.2	Very low	168 Å²	168	140.4 Å²	140.4	86%	0.862	74%	0.742	S	S	*	*	S	Bend	trans	-169.2	36.1	153.5	-95.9	148.1	0	0	0	109.8
1073	V	28.4	Very low	27.5	Very low	144 Å²	144	140 Å²	140	87%	0.873	74%	0.741	S	S	*	*	S	Bend	trans	-136.4	60.1	166.7	-167.9	0	0	0	0	109.2
1074	R	25.4	Very low	27.7	Very low	220 Å²	220	139.9 Å²	139.9	83%	0.83	74%	0.736	S	S	*	*			trans	-148.6	113.7	164.2	-75.3	-162.7	176.2	87.3	2	109.1
1075	T	28.1	Very low	27.9	Very low	134 Å²	134	139 Å²	139	82%	0.822	73%	0.731	S	S	*	*			trans	-133.4	91	164.1	47	0	0	0	0	105.9
1076	D	28.2	Very low	27.9	Very low	108 Å²	108	137.7 Å²	137.7	58%	0.578	73%	0.728	S	S	*	*			trans	-163.5	96.7	175.1	-91.1	-28.8	0	0	0	110.1	T841	T841-D1076 WeakPolarHBondContact CG2-OD1 3.48Å
1077	E	27.4	Very low	28	Very low	183 Å²	183	137.9 Å²	137.9	86%	0.855	73%	0.725	S	S	*	*			trans	-147.3	84.7	161.9	-79	-161.2	155.8	0	0	109.1	Y1177	E1077-Y1177 PolarHBondContact O-OH 3.07Å
1078	C	26	Very low	28.2	Very low	85 Å²	85	140 Å²	140	57%	0.574	73%	0.725	S	S	*	*			trans	-157.3	34.3	-178.2	-104	0	0	0	0	116.3	V1178	C1078-V1178 WeakPolarHBondContact O-CG2 3.06Å
1079	S	27.8	Very low	28.4	Very low	97 Å²	97	139 Å²	139	68%	0.678	72%	0.718	S	S	*	*			trans	-157.6	140	168.7	56.1	0	0	0	0	115.4
1080	N	28.6	Very low	28.6	Very low	81 Å²	81	138.8 Å²	138.8	43%	0.433	72%	0.718	S	S	.	*			trans	-72.6	152.7	-172.5	-44.8	-5.5	0	0	0	114.6	V1178	N1080-V1178 HydrophobicContact CB-CG1 4.35Å; N1080-V1178 WeakPolarHBondContact OD1-CG1 3.24Å
1081	Q	28.1	Very low	28.9	Very low	164 Å²	164	136.7 Å²	136.7	77%	0.766	71%	0.711	S	S	*	*				-164.2	-169.6	125.8	-111.1	172.5	2.3	0	0	112.7
1082	T	27.7	Very low	29.2	Very low	124 Å²	124	137.2 Å²	137.2	76%	0.761	71%	0.711	S	S	*	*			trans	-127.3	166.3	-141.7	-19.1	0	0	0	0	115.6
1083	Q	31	Very low	29.5	Very low	171 Å²	171	136.5 Å²	136.5	80%	0.799	71%	0.708	S	S	*	*			trans	82.6	109.9	154.8	-73.7	178.6	-25.6	0	0	121.3
1084	T	28.7	Very low	29.7	Very low	117 Å²	117	132.6 Å²	132.6	72%	0.718	70%	0.698	S	S	*	*				60	122.3	121.4	-33.3	0	0	0	0	121.1
1085	I	28.9	Very low	30.1	Very low	153 Å²	153	131.4 Å²	131.4	79%	0.785	70%	0.702	S	S	*	*				-178.6	107.7	116.4	-92.8	166.7	0	0	0	112.3
1086	T	28.7	Very low	30.2	Very low	98 Å²	98	130 Å²	130	60%	0.601	70%	0.697	S	S	*	*				69.4	121	126.5	-47.8	0	0	0	0	123.4
1087	Q	29.4	Very low	30.3	Very low	141 Å²	141	131.8 Å²	131.8	66%	0.659	70%	0.704	S	S	*	*			trans	72.9	149.9	149.8	-76.2	167.5	-13.6	0	0	119.6
1088	Y	30.6	Very low	30.4	Very low	176 Å²	176	130.8 Å²	130.8	69%	0.69	70%	0.697	S	S	*	*			cis	-157.4	157.9	5.3	-123.3	-34.5	0	0	0	111.9
1089	I	32.9	Very low	30.6	Very low	125 Å²	125	133.8 Å²	133.8	64%	0.641	70%	0.702	S	S	*	*			trans	64.1	126.6	143.9	-73.8	161.2	0	0	0	118.1
1090	D	33.2	Very low	30.5	Very low	130 Å²	130	135.6 Å²	135.6	70%	0.695	70%	0.7	S	S	*	*			cis	-164.7	178	-5.7	-134.3	-27	0	0	0	115.7
1091	E	34.4	Very low	30.5	Very low	151 Å²	151	140.4 Å²	140.4	71%	0.706	71%	0.713	S	S	*	*			trans	78.8	116.3	146.6	-80.8	-172.7	-152.6	0	0	123.4
1092	N	32.9	Very low	30.4	Very low	112 Å²	112	139.3 Å²	139.3	60%	0.599	71%	0.706	S	S	*	*				90.4	88.3	125.3	-68.8	-23	0	0	0	123.1
1093	N	32.6	Very low	31	Very low	152 Å²	152	138.3 Å²	138.3	81%	0.813	70%	0.701	S	S	*	*				116.4	141.5	109.4	-70.4	-23.7	0	0	0	121.1
1094	G	33.7	Very low	30.9	Very low	63 Å²	63	135 Å²	135	65%	0.649	69%	0.689	S	S	*	*			trans	87.4	96.3	174.5	0	0	0	0	0	113.9
1095	E	32.9	Very low	30.8	Very low	195 Å²	195	136 Å²	136	91%	0.911	69%	0.69	S	S	*	*				55.3	131.7	69.6	-57.1	-162.9	131.5	0	0	114.2
1096	S	29.3	Very low	30.8	Very low	104 Å²	104	136.6 Å²	136.6	73%	0.727	69%	0.69	S	S	*	*			cis	-161.4	-175.3	-11.3	64.4	0	0	0	0	107.9
1097	M	31.3	Very low	30.7	Very low	146 Å²	146	136.1 Å²	136.1	72%	0.719	69%	0.69	S	S	*	*			cis	-143.6	165.6	8.1	-113.8	-157.7	-154.5	0	0	108.6
1098	K	29.2	Very low	30.6	Very low	162 Å²	162	136.3 Å²	136.3	70%	0.704	70%	0.696	S	S	*	*				44.5	137	84	-53.8	-177	-176.8	174.7	0	115.4
1099	Q	29.6	Very low	30.5	Very low	147 Å²	147	131.9 Å²	131.9	69%	0.687	69%	0.691	S	S	*	*			cis	-140.1	154.6	1.5	-103.3	130.5	-26.4	0	0	108.7
1100	Q	26.7	Very low	30.3	Very low	136 Å²	136	132.3 Å²	132.3	64%	0.636	69%	0.694	S	S	*	*			cis	92.3	149.2	37.2	-158.5	-171.8	-0.6	0	0	113.1
1101	Y	27.9	Very low	30	Very low	182 Å²	182	131.6 Å²	131.6	71%	0.714	69%	0.69	S	S	*	*			trans	74	144	-179.8	-66.2	-95.5	0	0	0	115.7
1102	K	27	Very low	29.7	Very low	141 Å²	141	132 Å²	132	61%	0.613	69%	0.69	S	S	*	*			cis	-162.9	172	-21.3	-132.4	-151	168.3	-156	0	108.2	D1104	K1102-D1104 WeakPolarHBondContact CD-OD2 3.34Å; K1102-D1104 IonicContact NZ-OD1 3.56Å; K1102-D1104 PolarHBondContact NZ-OD1 2.72Å; K1102-D1104 IonicContact NZ-OD2 2.72Å; K1102-D1104 PolarHBondContact NZ-OD2 2.99Å
1103	P	40.7	Very low	29.4	Very low	102 Å²	102	131.7 Å²	131.7	66%	0.662	70%	0.696	S	S	*	*			trans	-89.1	-143.3	161.7	37.4	-23.9	0	0	0	109.2
1104	D	27.3	Very low	29.3	Very low	101 Å²	101	129.7 Å²	129.7	54%	0.54	69%	0.694	S	S	.	*			trans	76.3	140	-174.6	-31	-15.6	0	0	0	111.5	K1102	K1102-D1104 WeakPolarHBondContact CD-OD2 3.34Å; K1102-D1104 IonicContact NZ-OD1 3.56Å; K1102-D1104 PolarHBondContact NZ-OD1 2.72Å; K1102-D1104 IonicContact NZ-OD2 2.72Å; K1102-D1104 PolarHBondContact NZ-OD2 2.99Å
1105	D	28	Very low	29.1	Very low	139 Å²	139	132.4 Å²	132.4	74%	0.743	70%	0.701	S	S	*	*			cis	-161.5	-169.9	-17.1	-125.7	-46.2	0	0	0	110.2
1106	E	27.9	Very low	28.7	Very low	166 Å²	166	127.9 Å²	127.9	78%	0.776	69%	0.69	S	S	*	*			trans	54.9	108.3	151.3	-74.2	170.7	177.4	0	0	118.4
1107	S	27.3	Very low	28.5	Very low	88 Å²	88	128.1 Å²	128.1	62%	0.615	69%	0.692	S	S	*	*				81.4	158.8	72.8	82.4	0	0	0	0	114.1
1108	D	27.8	Very low	28.1	Very low	144 Å²	144	125.3 Å²	125.3	77%	0.77	69%	0.687	S	S	*	*			trans	65.8	139.6	167.5	-62	-65.4	0	0	0	118.7
1109	S	28.2	Very low	28	Very low	83 Å²	83	124.9 Å²	124.9	58%	0.58	69%	0.691	S	S	*	*			cis	-157.5	-171.5	-16.9	57.9	0	0	0	0	109
1110	N	27.7	Very low	27.8	Very low	135 Å²	135	122.2 Å²	122.2	72%	0.722	69%	0.694	S	S	*	*			trans	23.1	130.1	136.8	-51.6	-28.5	0	0	0	116.8
1111	D	27.1	Very low	27.8	Very low	114 Å²	114	119.8 Å²	119.8	61%	0.61	69%	0.692	S	S	*	*			cis	178.4	177.8	36.7	-142.4	-27	0	0	0	112.5
1112	K	27.7	Very low	27.7	Very low	161 Å²	161	119.7 Å²	119.7	70%	0.7	70%	0.695	S	S	*	*			trans	62.5	131.1	145.2	-76.5	154.1	-172.1	128.4	0	121.8
1113	S	28	Very low	27.6	Very low	104 Å²	104	118.9 Å²	118.9	73%	0.727	70%	0.697	S	S	*	*			trans	68.4	105.9	138.5	62.4	0	0	0	0	119.6
1114	S	30.2	Very low	27.1	Very low	110 Å²	110	123.8 Å²	123.8	77%	0.769	71%	0.708	S	S	*	*			trans	-35	149.8	131	49.9	0	0	0	0	113.1
1115	P	29.7	Very low	27.1	Very low	121 Å²	121	127 Å²	127	79%	0.786	72%	0.72	S	S	*	*				-134.8	175.5	99.9	38.7	-30.4	0	0	0	114.7
1116	S	23.6	Very low	27.2	Very low	100 Å²	100	125.9 Å²	125.9	70%	0.699	72%	0.723	S	S	*	*			trans	-75.1	-176.7	173.5	54.8	0	0	0	0	112.9
1117	S	25.1	Very low	27.1	Very low	108 Å²	108	123.1 Å²	123.1	76%	0.755	72%	0.722	S	S	*	*			trans	76.2	162.3	163.9	97.7	0	0	0	0	114.7
1118	S	24.3	Very low	27.3	Very low	87 Å²	87	125.4 Å²	125.4	61%	0.608	73%	0.732	S	S	*	*			cis	-176.9	172	-29.4	54.6	0	0	0	0	107.5
1119	L	25.4	Very low	27.2	Very low	154 Å²	154	127.7 Å²	127.7	81%	0.806	73%	0.73	S	S	*	*			trans	64.3	127.1	176.8	-79.4	59.4	0	0	0	112.8
1120	A	26.2	Very low	27.1	Very low	90 Å²	90	133 Å²	133	74%	0.744	74%	0.737	S	S	*	*				63.2	139.3	62.5	0	0	0	0	0	111.6
1121	S	26	Very low	27.2	Very low	85 Å²	85	134.8 Å²	134.8	59%	0.594	74%	0.741	S	S	*	*			cis	-172	177.2	41.2	53.8	0	0	0	0	111.7
1122	K	26.5	Very low	27.1	Very low	180 Å²	180	134.4 Å²	134.4	78%	0.783	75%	0.747	S	S	*	*			trans	74.5	151.2	160.7	-56.1	162.1	-169.3	175.6	0	116.4
1123	I	25.6	Very low	27.2	Very low	125 Å²	125	133 Å²	133	64%	0.641	75%	0.752	S	S	*	*			cis	-159.2	134.3	-24.1	-108.4	161.6	0	0	0	103.4
1124	F	29.8	Very low	27.1	Very low	205 Å²	205	136.4 Å²	136.4	90%	0.899	76%	0.757	S	S	*	*				-167.8	136.8	122.7	-115.5	-75	0	0	0	110.8
1125	Q	26.7	Very low	27.2	Very low	168 Å²	168	135.3 Å²	135.3	79%	0.785	75%	0.747	S	S	*	*			trans	-105.1	142.7	-176.4	-61	164.8	-53.8	0	0	110.3
1126	S	30.2	Very low	27	Very low	115 Å²	115	135.9 Å²	135.9	80%	0.804	74%	0.743	S	S	*	*				164.5	132.1	128.4	47	0	0	0	0	108.7
1127	S	25.4	Very low	27.1	Very low	108 Å²	108	137 Å²	137	76%	0.755	74%	0.74	S	S	*	*			cis	87.7	69.3	30.1	-56.3	0	0	0	0	115.9
1128	V	31.1	Very low	27.1	Very low	137 Å²	137	139.7 Å²	139.7	83%	0.83	74%	0.741	S	S	*	*			trans	-137.6	94	141.4	-179.4	0	0	0	0	105.9
1129	R	26.6	Very low	27.2	Very low	192 Å²	192	139.5 Å²	139.5	73%	0.725	74%	0.74	S	S	*	*				63.5	118.6	96.1	-74.8	-175.5	176.6	179.6	0.7	115
1130	R	25.9	Very low	27.3	Very low	195 Å²	195	138.6 Å²	138.6	74%	0.736	74%	0.736	S	S	*	*				65.2	150.4	124.6	-61	176.5	-171.8	174.4	-1.3	117.1
1131	E	29.4	Very low	27.4	Very low	171 Å²	171	139.8 Å²	139.8	80%	0.799	73%	0.73	S	S	*	*			cis	-142.2	165.8	28	-147.3	125.5	-104.5	0	0	113.9
1132	S	24.9	Very low	27.5	Very low	106 Å²	106	143.6 Å²	143.6	74%	0.741	74%	0.735	S	S	*	*			trans	-138.8	114	-175.2	59.2	0	0	0	0	112.7
1133	T	29.9	Very low	27.6	Very low	131 Å²	131	141.2 Å²	141.2	80%	0.804	73%	0.731	S	S	*	*			trans	-144.3	112.9	168.3	49.2	0	0	0	0	106.3
1134	Q	25.8	Very low	27.8	Very low	176 Å²	176	143.2 Å²	143.2	82%	0.822	74%	0.736	S	S	*	*			cis	65	137.8	32.6	-127.9	-138.5	27.3	0	0	112.1
1135	P	33.8	Very low	27.7	Very low	87 Å²	87	139.7 Å²	139.7	57%	0.565	73%	0.725	S	S	*	*			cis	-129.8	-135.4	-47.5	31.7	-12.7	0	0	0	110.3
1136	N	24.9	Very low	27.9	Very low	134 Å²	134	139.6 Å²	139.6	72%	0.717	73%	0.725	S	S	*	*			trans	76.2	146	160.3	-64.7	-17.8	0	0	0	117.2
1137	I	25.7	Very low	28.1	Very low	123 Å²	123	139 Å²	139	63%	0.631	72%	0.721	S	S	*	*			cis	-155.6	167.1	-8.2	-122.1	166.8	0	0	0	110.7
1138	Q	25.6	Very low	28.4	Very low	164 Å²	164	139.2 Å²	139.2	77%	0.766	72%	0.718	S	S	*	*			trans	-3.9	154.3	155	-54	160.7	2.9	0	0	118.8
1139	S	24.7	Very low	28.5	Very low	84 Å²	84	139.7 Å²	139.7	59%	0.587	72%	0.715	S	S	*	*			cis	179.3	-173.8	-8.7	55.8	0	0	0	0	108.2
1140	N	29.3	Very low	28.6	Very low	135 Å²	135	134.5 Å²	134.5	72%	0.722	71%	0.708	S	S	*	*			trans	69.9	148.6	158.5	-69.8	-38.6	0	0	0	119.1
1141	N	27.3	Very low	28.9	Very low	115 Å²	115	130.6 Å²	130.6	62%	0.615	71%	0.706	S	S	*	*			cis	-166.2	159.1	-37.6	-134.6	-44.7	0	0	0	110.7
1142	K	27.7	Very low	28.8	Very low	165 Å²	165	129.4 Å²	129.4	72%	0.717	70%	0.703	S	S	*	*			trans	65.5	132.4	149	-82	160.3	-174.7	178.4	0	122.3
1143	N	29.9	Very low	29	Very low	129 Å²	129	130 Å²	130	69%	0.69	70%	0.698	S	S	*	*			trans	80.2	135.2	144	-59.6	-0.3	0	0	0	118
1144	F	28.8	Very low	29.1	Very low	168 Å²	168	130.6 Å²	130.6	74%	0.737	70%	0.697	S	S	*	*			cis	-148	131.5	5.6	-132.1	-137.9	0	0	0	107
1145	L	28.2	Very low	29.2	Very low	130 Å²	130	126.6 Å²	126.6	68%	0.681	69%	0.688	S	S	*	*				96.4	149.7	55.7	-114.5	175.9	0	0	0	113.9
1146	E	30.9	Very low	28.9	Very low	166 Å²	166	128.5 Å²	128.5	78%	0.776	70%	0.698	S	S	*	*			trans	72.5	119.1	177.9	-59.3	-178.3	174.6	0	0	116.8
1147	S	35.3	Very low	29.1	Very low	104 Å²	104	128.6 Å²	128.6	73%	0.727	70%	0.699	S	S	*	*			cis	-143.7	137.4	-7.9	-57.8	0	0	0	0	110.3
1148	T	31.5	Very low	29.3	Very low	112 Å²	112	129.2 Å²	129.2	69%	0.687	70%	0.702	S	S	*	*				63.3	139.4	51	31.5	0	0	0	0	115.5
1149	L	33	Very low	29.4	Very low	146 Å²	146	128.2 Å²	128.2	76%	0.764	70%	0.702	S	S	*	*			cis	-140.3	141.2	14.1	-89.6	118.3	0	0	0	110.6
1150	S	28.9	Very low	29.5	Very low	84 Å²	84	133.6 Å²	133.6	59%	0.587	72%	0.715	S	S	*	*				64	157.5	87	85.2	0	0	0	0	116.1
1151	V	31.6	Very low	29.5	Very low	113 Å²	113	133 Å²	133	69%	0.685	72%	0.72	S	S	*	*			cis	-137.9	155.7	16	-151.8	0	0	0	0	106.7
1152	I	27.8	Very low	29.5	Very low	146 Å²	146	132.4 Å²	132.4	75%	0.749	73%	0.725	S	S	*	*			cis	85.9	157.9	22	-52.5	166.5	0	0	0	113.1
1153	N	29.4	Very low	29.7	Very low	118 Å²	118	130.1 Å²	130.1	63%	0.631	73%	0.729	S	S	*	*			trans	77.4	142.4	-173.1	-66.2	54.8	0	0	0	115.7
1154	D	31.1	Very low	29.6	Very low	144 Å²	144	128.7 Å²	128.7	77%	0.77	73%	0.729	S	S	*	*			cis	-147.7	-179.3	-4	-106.6	-27.4	0	0	0	113.5
1155	S	27.1	Very low	29.5	Very low	92 Å²	92	129.5 Å²	129.5	64%	0.643	73%	0.732	S	S	*	*			trans	-95	165.4	-167.5	60.2	0	0	0	0	116.7
1156	T	27.8	Very low	29.3	Very low	127 Å²	127	128.3 Å²	128.3	78%	0.779	73%	0.73	S	S	*	*			trans	65.1	147.3	158.9	42.6	0	0	0	0	116.5
1157	D	29.6	Very low	29	Very low	136 Å²	136	126.1 Å²	126.1	73%	0.727	73%	0.732	S	S	*	*			cis	-157.9	-178.5	16.1	-144	-27.8	0	0	0	113.4
1158	L	30.8	Very low	28.6	Very low	135 Å²	135	128.1 Å²	128.1	71%	0.707	73%	0.733	S	S	*	*			trans	62	96.9	151.3	-68.7	168.7	0	0	0	121.9
1159	N	26.7	Very low	28.2	Very low	144 Å²	144	127.5 Å²	127.5	77%	0.77	73%	0.729	S	S	*	*				31.6	117.9	121.4	-65.7	-41.7	0	0	0	121.3
1160	K	27.9	Very low	27.9	Very low	196 Å²	196	125.2 Å²	125.2	85%	0.852	72%	0.718	S	S	*	*				-173.8	138	112.8	-105.2	167.2	-176.8	175.6	0	114.2
1161	C	27.9	Very low	27.9	Very low	122 Å²	122	125.6 Å²	125.6	82%	0.824	73%	0.726	S	S	*	*			trans	57.3	146.7	161.9	-63.9	0	0	0	0	119.4
1162	S	27.6	Very low	27.6	Very low	104 Å²	104	125.6 Å²	125.6	73%	0.727	73%	0.726	S	S	*	*			cis	-163.7	169	-22.6	45.8	0	0	0	0	108.9
1163	C	32.2	Very low	27.5	Very low	117 Å²	117	124.4 Å²	124.4	79%	0.791	72%	0.719	S	S	*	*			trans	64.4	62.7	172	-65.7	0	0	0	0	118.8
1164	S	27.1	Very low	27.4	Very low	98 Å²	98	124.6 Å²	124.6	69%	0.685	72%	0.719	S	S	*	*				-9.2	156	110.2	58	0	0	0	0	117.6
1165	K	26.3	Very low	27.2	Very low	186 Å²	186	123.1 Å²	123.1	81%	0.809	72%	0.716	S	S	*	*			cis	-167.6	149.2	17	-127.4	164.6	-173.1	175.6	0	113
1166	T	25.3	Very low	27.3	Very low	104 Å²	104	128 Å²	128	64%	0.638	73%	0.726	S	S	*	*			trans	24.8	121.3	139.5	60	0	0	0	0	123.6
1167	C	25.1	Very low	27.2	Very low	120 Å²	120	128.5 Å²	128.5	81%	0.811	71%	0.714	S	S	*	*				70.3	177.6	119.7	-54.6	0	0	0	0	122.2
1168	I	25.4	Very low	27.2	Very low	147 Å²	147	125.2 Å²	125.2	75%	0.754	70%	0.699	S	S	*	*			trans	91.9	81.2	159.6	-53.5	171.9	0	0	0	118.3
1169	T	24.5	Very low	27	Very low	99 Å²	99	122.8 Å²	122.8	61%	0.607	69%	0.686	S	S	*	*				41.8	148.4	128.6	70.4	0	0	0	0	125.1
1170	N	25.3	Very low	27.2	Very low	98 Å²	98	120.2 Å²	120.2	52%	0.524	68%	0.676	S	S	.	*			trans	84.7	153	149.1	-64.2	-47.3	0	0	0	118.5
1171	A	29.8	Very low	27.3	Very low	92 Å²	92	117.2 Å²	117.2	76%	0.76	67%	0.669	S	S	*	*			trans	-109.4	167.8	-178.3	0	0	0	0	0	111.1
1172	V	26	Very low	27.4	Very low	112 Å²	112	117.3 Å²	117.3	68%	0.679	66%	0.661	S	S	*	*			trans	-172.5	130.2	136.6	136.6	0	0	0	0	112.4
1173	M	25.8	Very low	27.7	Very low	122 Å²	122	117.6 Å²	117.6	60%	0.601	65%	0.654	S	S	*	*			trans	27.1	138.2	146.8	-50.1	-69.6	-77.8	0	0	123.3
1174	N	25.9	Very low	27.6	Very low	121 Å²	121	113.7 Å²	113.7	65%	0.647	63%	0.627	S	S	*	*			trans	75.9	112.7	130.5	-76.6	24.5	0	0	0	122.9
1175	T	27.6	Very low	27.8	Very low	114 Å²	114	114.5 Å²	114.5	70%	0.699	62%	0.623	S	S	*	*				45.1	115.2	126.4	67	0	0	0	0	120
1176	K	28.4	Very low	28	Very low	195 Å²	195	113.3 Å²	113.3	85%	0.848	62%	0.618	S	S	*	*				-173.8	149.7	99.9	-100.7	177.4	-180	-171.5	0	113.9
1177	Y	26.1	Very low	28.3	Very low	137 Å²	137	116.5 Å²	116.5	54%	0.537	63%	0.626	S	S	.	*			trans	3	128.9	155.8	-86.5	-116.7	0	0	0	120.9	E1077	E1077-Y1177 PolarHBondContact O-OH 3.07Å
1178	V	29.2	Very low	28.9	Very low	67 Å²	67	115.6 Å²	115.6	41%	0.406	62%	0.618	S	S	.	*				47.6	123.3	109	-174.4	0	0	0	0	116.4	C1078 N1080	C1078-V1178 WeakPolarHBondContact O-CG2 3.06Å; N1080-V1178 HydrophobicContact CB-CG1 4.35Å; N1080-V1178 WeakPolarHBondContact OD1-CG1 3.24Å
1179	N	27.9	Very low	29.3	Very low	83 Å²	83	113.6 Å²	113.6	44%	0.444	62%	0.617	S	S	.	*				-166.4	155.5	52.4	-147.6	14.3	0	0	0	117.2
1180	T	30.3	Very low	29.6	Very low	91 Å²	91	116.5 Å²	116.5	56%	0.558	63%	0.628	S	S	*	*			trans	54.4	142.3	142.7	43.3	0	0	0	0	127.1
1181	L	29.7	Very low	30	Very low	133 Å²	133	116.6 Å²	116.6	70%	0.696	63%	0.634	S	S	*	*			trans	92	89.6	135.4	-77.9	162.1	0	0	0	123.4
1182	N	31.1	Very low	30.1	Very low	123 Å²	123	117.2 Å²	117.2	66%	0.658	63%	0.633	S	S	*	*				30.2	126.4	120.2	-48.6	-5.9	0	0	0	122.5
1183	N	32.5	Very low	30.4	Very low	110 Å²	110	120.6 Å²	120.6	59%	0.588	64%	0.641	S	S	*	*				163.5	110	104.3	-82.5	-39.2	0	0	0	117.7	S1228	N1183-S1228 WeakPolarHBondContact OD1-CB 3.32Å; N1183-S1228 PolarHBondContact OD1-OG 3.15Å
1184	T	31.5	Very low	30.7	Very low	36 Å²	36	122.6 Å²	122.6	22%	0.221	65%	0.652	C	S	.	*				61	117.1	109.8	-33.1	0	0	0	0	126.2	T1227 S1228	T1184-T1227 VanDerWaalsContact CA-CB 3.45Å; T1184-T1227 VanDerWaalsContact N-CG2 3.26Å; T1184-T1227 WeakPolarHBondContact OG1-CB 3.48Å; T1184-S1228 VanDerWaalsContact CG2-N 3.3Å; T1184-S1228 WeakPolarHBondContact CG2-O 3.35Å; T1184-S1228 VanDerWaalsContact OG1-CB 3.29Å; T1184-S1228 WeakPolarHBondContact OG1-CB 3.27Å; T1184-S1228 PolarHBondContact OG1-N 2.81Å; T1184-S1228 PolarHBondContact OG1-OG 3.09Å
1185	L	29.7	Very low	31.2	Very low	114 Å²	114	121.7 Å²	121.7	60%	0.597	65%	0.653	S	S	*	*				172.4	137.2	101.9	-89.5	176	0	0	0	116.1
1186	K	30.1	Very low	31.4	Very low	162 Å²	162	121.3 Å²	121.3	70%	0.704	66%	0.655	S	S	*	*			trans	56.6	116.5	143.5	-71.7	174.4	176.2	-178.6	0	124.7
1187	E	31.9	Very low	31.7	Very low	171 Å²	171	119.2 Å²	119.2	80%	0.799	65%	0.653	S	S	*	*				41.1	160.9	102.7	-70.3	-167.6	141.9	0	0	123.2
1188	P	39	Very low	32	Very low	101 Å²	101	117.7 Å²	117.7	66%	0.656	66%	0.658	S	S	*	*			cis	-146.5	-153.8	-42.8	43.6	-23.7	0	0	0	113.7
1189	S	32.5	Very low	32.1	Very low	104 Å²	104	123.8 Å²	123.8	73%	0.727	68%	0.679	S	S	*	*			trans	83.3	150.6	156	87	0	0	0	0	119.1
1190	L	30.9	Very low	32.2	Very low	161 Å²	161	127.8 Å²	127.8	84%	0.843	70%	0.696	S	S	*	*			cis	-155.4	-159.6	-20.4	-137	72.9	0	0	0	110.6
1191	P	35.2	Very low	32.3	Very low	100 Å²	100	130.4 Å²	130.4	65%	0.649	71%	0.712	S	S	*	*			trans	-135.7	-163.4	-133.3	46.8	-25.3	0	0	0	118.7
1192	S	30	Very low	32.1	Very low	104 Å²	104	131.6 Å²	131.6	73%	0.727	72%	0.718	S	S	*	*			trans	73.3	156.1	154.1	63.4	0	0	0	0	118.5
1193	E	32.2	Very low	32.2	Very low	184 Å²	184	134.4 Å²	134.4	86%	0.86	73%	0.732	S	S	*	*			cis	-138.5	-151	26.3	-66.5	-175.1	124.5	0	0	115.6
1194	I	32.2	Very low	32	Very low	163 Å²	163	133.9 Å²	133.9	84%	0.836	74%	0.737	S	S	*	*			trans	-146.6	-164	-165.9	-4.4	175.5	0	0	0	108.8
1195	P	36.3	Very low	31.7	Very low	103 Å²	103	137.1 Å²	137.1	67%	0.669	76%	0.761	S	S	*	*			cis	-137	-176.7	-20.3	33.1	-10.4	0	0	0	116.5
1196	S	32.2	Very low	31.7	Very low	105 Å²	105	138.3 Å²	138.3	73%	0.734	77%	0.772	S	S	*	*			trans	58.3	139.6	146.7	53.1	0	0	0	0	121.4
1197	D	34.4	Very low	31.4	Very low	151 Å²	151	140.3 Å²	140.3	81%	0.807	78%	0.781	S	S	*	*				-163.3	-172.5	73.8	-146.2	-20	0	0	0	116.5
1198	T	32.2	Very low	31.2	Very low	105 Å²	105	139.1 Å²	139.1	64%	0.644	78%	0.779	S	S	*	*			trans	-103.7	146.6	-148.9	-39.2	0	0	0	0	116.4
1199	K	32.7	Very low	30.6	Very low	195 Å²	195	142.9 Å²	142.9	85%	0.848	79%	0.788	S	S	*	*				173.9	164.6	118.7	-95.2	160.9	-175.4	164.4	0	118.8
1200	Q	29.1	Very low	30.3	Very low	168 Å²	168	143.8 Å²	143.8	79%	0.785	79%	0.789	S	S	*	*			trans	-87.6	160.1	-159.2	-56.4	150.9	-50.4	0	0	115.6
1201	T	32.3	Very low	30.3	Very low	146 Å²	146	140.2 Å²	140.2	90%	0.896	78%	0.778	S	S	*	*				-167	163.2	116.8	14.3	0	0	0	0	112.2
1202	N	26.2	Very low	29.8	Very low	157 Å²	157	142.1 Å²	142.1	84%	0.84	78%	0.782	S	S	*	*			trans	-104.4	152.9	-173.6	-67.6	-59.7	0	0	0	112.9
1203	I	32.4	Very low	29.8	Very low	182 Å²	182	148.5 Å²	148.5	93%	0.933	79%	0.791	S	S	*	*			trans	-161.7	161.8	139.2	-104.5	154.3	0	0	0	109.6
1204	S	28.1	Very low	29.5	Very low	99 Å²	99	145.5 Å²	145.5	69%	0.692	78%	0.78	S	S	*	*			trans	-111.5	144	-148.8	59.9	0	0	0	0	118.2
1205	S	26.8	Very low	29.3	Very low	104 Å²	104	143.4 Å²	143.4	73%	0.727	77%	0.767	S	S	*	*			trans	64	101.6	137.8	65.1	0	0	0	0	121.7
1206	V	29.2	Very low	28.7	Very low	139 Å²	139	146.1 Å²	146.1	84%	0.842	78%	0.776	S	S	*	*				-134.9	138.1	123.1	178.4	0	0	0	0	108
1207	K	24.3	Very low	28.5	Very low	205 Å²	205	145.9 Å²	145.9	89%	0.891	78%	0.781	S	S	*	*			trans	-90.3	105.8	179.8	-73.8	-177.3	177.7	178.6	0	111.8
1208	I	27.8	Very low	28.2	Very low	145 Å²	145	146 Å²	146	74%	0.744	78%	0.78	S	S	*	*			trans	-103.2	113.3	158.9	-62.6	177	0	0	0	107	T1210	I1208-T1210 HydrophobicContact CG2-CG2 4.2Å; I1208-T1210 PolarHBondContact O-N 3.32Å
1209	Q	25.8	Very low	27.9	Very low	181 Å²	181	148.8 Å²	148.8	85%	0.846	78%	0.783	S	S	*	*			trans	-102.2	66.3	-178.3	-161.6	169.9	12.5	0	0	111.3
1210	T	26.5	Very low	27.7	Very low	122 Å²	122	144.8 Å²	144.8	75%	0.748	78%	0.779	S	S	*	*			trans	-69.6	123.8	158	43.3	0	0	0	0	108.8	I1208	I1208-T1210 HydrophobicContact CG2-CG2 4.2Å; I1208-T1210 PolarHBondContact O-N 3.32Å
1211	S	29.6	Very low	27.7	Very low	87 Å²	87	146.8 Å²	146.8	61%	0.608	79%	0.786	S	S	*	*			trans	-129.1	88.4	173	64.6	0	0	0	0	110.4	W1213	S1211-W1213 PolarHBondContact O-N 2.67Å
1212	N	26.6	Very low	27.5	Very low	140 Å²	140	142.9 Å²	142.9	75%	0.749	78%	0.775	S	S	*	*			trans	-58.9	125.1	154.1	-72.7	11.7	0	0	0	107.1
1213	W	28.3	Very low	27.5	Very low	238 Å²	238	144.7 Å²	144.7	90%	0.902	78%	0.778	S	S	*	*			trans	-126.2	86.8	160.8	-95.6	69.7	0	0	0	106.5	S1211	S1211-W1213 PolarHBondContact O-N 2.67Å
1214	D	27.6	Very low	27.3	Very low	120 Å²	120	144.3 Å²	144.3	64%	0.642	78%	0.776	S	S	*	*			trans	-68.2	172	175	-87.8	-65.3	0	0	0	112.5
1215	E	26.3	Very low	27.2	Very low	119 Å²	119	145.4 Å²	145.4	56%	0.556	78%	0.778	S	S	*	*			trans	26.4	98.5	155.7	-61	-162.8	142	0	0	118.2	K1219	E1215-K1219 IonicContact OE1-NZ 3.02Å; E1215-K1219 PolarHBondContact OE1-NZ 3.4Å; E1215-K1219 IonicContact OE2-NZ 2.96Å; E1215-K1219 PolarHBondContact OE2-NZ 2.56Å
1216	N	24.9	Very low	27.1	Very low	160 Å²	160	145.7 Å²	145.7	86%	0.856	78%	0.78	S	S	*	*	S	Bend	trans	-154.9	68.6	154.5	-110.1	-69.2	0	0	0	111.9
1217	A	27.5	Very low	26.9	Very low	101 Å²	101	143.4 Å²	143.4	84%	0.835	77%	0.766	S	S	*	*	S	Bend	trans	-169.8	-7.1	164.9	0	0	0	0	0	115.1
1218	I	28.3	Very low	27	Very low	154 Å²	154	135.5 Å²	135.5	79%	0.79	74%	0.736	S	S	*	*			trans	-138.3	89.4	-179.5	-52.9	177.7	0	0	0	109.4
1219	K	25.9	Very low	26.9	Very low	163 Å²	163	133.8 Å²	133.8	71%	0.709	73%	0.729	S	S	*	*			trans	-173.8	63.6	164	-109.7	152.6	174.4	167	0	113.5	E1215	E1215-K1219 IonicContact OE1-NZ 3.02Å; E1215-K1219 PolarHBondContact OE1-NZ 3.4Å; E1215-K1219 IonicContact OE2-NZ 2.96Å; E1215-K1219 PolarHBondContact OE2-NZ 2.56Å
1220	S	27.5	Very low	26.9	Very low	111 Å²	111	130.9 Å²	130.9	78%	0.776	72%	0.719	S	S	*	*	S	Bend	trans	-170.1	132.5	151.4	52.1	0	0	0	0	109
1221	F	29.8	Very low	26.9	Very low	210 Å²	210	134.3 Å²	134.3	92%	0.921	72%	0.72	S	S	*	*			cis	-104	151	-7.6	-89.6	-113	0	0	0	111.3
1222	G	27.6	Very low	26.8	Very low	64 Å²	64	138.1 Å²	138.1	66%	0.66	73%	0.728	S	S	*	*			trans	-94.3	163.9	160	0	0	0	0	0	111.5
1223	E	26.5	Very low	26.8	Very low	194 Å²	194	137 Å²	137	91%	0.907	73%	0.726	S	S	*	*			trans	13.9	121.9	150.5	-61.4	169.6	150	0	0	119.2
1224	I	29	Very low	26.7	Very low	174 Å²	174	133.4 Å²	133.4	89%	0.892	72%	0.724	S	S	*	*				-146.1	129.7	122.9	-98.3	150.9	0	0	0	107.2
1225	T	24.9	Very low	26.6	Very low	122 Å²	122	132 Å²	132	75%	0.748	72%	0.723	S	S	*	*			trans	-83.8	143.4	173.3	44.8	0	0	0	0	110.8
1226	C	25	Very low	26.7	Very low	111 Å²	111	137 Å²	137	75%	0.75	74%	0.737	S	S	*	*			trans	42.8	125	150.8	-50.4	0	0	0	0	117.2
1227	T	25.2	Very low	26.9	Very low	91 Å²	91	137.7 Å²	137.7	56%	0.558	74%	0.735	S	S	*	*				-176.7	-175.8	76.2	40.2	0	0	0	0	111.6	T1184	T1184-T1227 VanDerWaalsContact CA-CB 3.45Å; T1184-T1227 VanDerWaalsContact N-CG2 3.26Å; T1184-T1227 WeakPolarHBondContact OG1-CB 3.48Å
1228	S	26	Very low	27.4	Very low	38 Å²	38	137.2 Å²	137.2	27%	0.266	72%	0.724	S	S	.	*			trans	-93.2	-176.5	-159.4	80.3	0	0	0	0	119.6	N1183 T1184	N1183-S1228 WeakPolarHBondContact OD1-CB 3.32Å; N1183-S1228 PolarHBondContact OD1-OG 3.15Å; T1184-S1228 VanDerWaalsContact CG2-N 3.3Å; T1184-S1228 WeakPolarHBondContact CG2-O 3.35Å; T1184-S1228 VanDerWaalsContact OG1-CB 3.29Å; T1184-S1228 WeakPolarHBondContact OG1-CB 3.27Å; T1184-S1228 PolarHBondContact OG1-N 2.81Å; T1184-S1228 PolarHBondContact OG1-OG 3.09Å
1229	N	26.4	Very low	27.4	Very low	109 Å²	109	138.6 Å²	138.6	58%	0.583	73%	0.726	S	S	*	*			trans	46.9	118.5	146.5	-61.9	1.1	0	0	0	121
1230	N	26.5	Very low	27.7	Very low	120 Å²	120	135.9 Å²	135.9	64%	0.642	74%	0.735	S	S	*	*				-179.1	130.4	90	-104.9	-18.2	0	0	0	113.8
1231	Y	26	Very low	27.7	Very low	195 Å²	195	136.7 Å²	136.7	77%	0.765	74%	0.735	S	S	*	*			trans	56.2	165.9	155.6	-62.4	-65.3	0	0	0	118.2
1232	Q	27.2	Very low	27.8	Very low	166 Å²	166	138.6 Å²	138.6	78%	0.776	74%	0.736	S	S	*	*			cis	-141.8	168.1	-2.5	-140.2	146.1	15.5	0	0	112.6
1233	T	26.7	Very low	27.8	Very low	117 Å²	117	142 Å²	142	72%	0.718	74%	0.739	S	S	*	*			trans	-74.2	177.7	-173.8	44.2	0	0	0	0	116.4
1234	L	25.9	Very low	28.1	Very low	162 Å²	162	141 Å²	141	85%	0.848	74%	0.738	S	S	*	*			trans	101.1	138.7	163	-55.8	166.4	0	0	0	115.5
1235	S	25.8	Very low	28.1	Very low	91 Å²	91	141.3 Å²	141.3	64%	0.636	73%	0.733	S	S	*	*			cis	-169.6	153.7	-13.2	55.2	0	0	0	0	113.8
1236	R	27.7	Very low	28.6	Very low	224 Å²	224	140.8 Å²	140.8	85%	0.845	73%	0.732	S	S	*	*			trans	66.8	111.1	150.1	-72.4	167.9	174.9	164.3	-2.1	121.6
1237	E	29.9	Very low	28.9	Very low	175 Å²	175	141.9 Å²	141.9	82%	0.818	74%	0.735	S	S	*	*				46.3	162.1	103.7	-74.2	-166.7	168.2	0	0	123.2
1238	P	37.9	Very low	29	Very low	91 Å²	91	148.3 Å²	148.3	59%	0.591	75%	0.749	S	S	*	*			cis	-144.1	-169.2	-34.8	41.8	-23.3	0	0	0	114.8
1239	H	28.7	Very low	29.2	Very low	182 Å²	182	157.6 Å²	157.6	84%	0.843	78%	0.78	S	S	*	*			trans	32.9	130	152.7	-58.1	-52.4	0	0	0	123.4
1240	A	31.6	Very low	29.3	Very low	107 Å²	107	157.6 Å²	157.6	88%	0.884	79%	0.788	S	S	*	*				-165.1	153.8	120.9	0	0	0	0	0	112.4
1241	T	28.3	Very low	29.4	Very low	128 Å²	128	155.5 Å²	155.5	79%	0.785	79%	0.788	S	S	*	*			trans	-108.6	160.5	-179.6	56.7	0	0	0	0	112.8
1242	R	31.7	Very low	29.5	Very low	249 Å²	249	149.8 Å²	149.8	94%	0.94	78%	0.776	S	S	*	*				-164.6	145.2	126.9	-108	164.3	-172.9	-175.9	1.7	113.6
1243	N	27.7	Very low	29.6	Very low	135 Å²	135	145.9 Å²	145.9	72%	0.722	77%	0.767	S	S	*	*			trans	-93	151.8	178.6	-60.7	-81.5	0	0	0	111.3
1244	I	33	Very low	29.6	Very low	173 Å²	173	143.5 Å²	143.5	89%	0.887	76%	0.755	S	S	*	*			trans	-134.7	142.1	135.6	-62.1	-172.1	0	0	0	108.9
1245	K	27.9	Very low	29.7	Very low	181 Å²	181	143.1 Å²	143.1	79%	0.787	75%	0.753	S	S	*	*			trans	-139.8	-178.9	179.2	-93.5	-174.4	178.5	176.8	0	106.6
1246	P	36.4	Very low	29.7	Very low	111 Å²	111	143.2 Å²	143.2	72%	0.721	75%	0.754	S	S	*	*			cis	-127.6	-154	-49	39.3	-22.4	0	0	0	108.7
1247	V	30.3	Very low	29.7	Very low	134 Å²	134	137.3 Å²	137.3	81%	0.812	75%	0.747	S	S	*	*				-174.1	153.1	126.8	141.6	0	0	0	0	110.2
1248	R	26.7	Very low	29.5	Very low	227 Å²	227	134 Å²	134	86%	0.857	74%	0.743	S	S	*	*			trans	-106.1	166.1	178.9	-61.7	169.4	170.8	157.6	-7.2	110.3
1249	Y	31.2	Very low	28.9	Very low	233 Å²	233	134.7 Å²	134.7	91%	0.914	75%	0.75	S	S	*	*				-157	145.4	124.1	-103.8	-67.2	0	0	0	112.4
1250	S	27.4	Very low	28.7	Very low	108 Å²	108	133.6 Å²	133.6	76%	0.755	75%	0.749	S	S	*	*			trans	-107.1	-177.6	175	52.9	0	0	0	0	109.2
1251	A	29.8	Very low	28.4	Very low	77 Å²	77	134.9 Å²	134.9	64%	0.636	75%	0.746	S	S	*	*			cis	-161.6	159.4	17.4	0	0	0	0	0	114.4
1252	S	28.1	Very low	28.3	Very low	75 Å²	75	132.8 Å²	132.8	52%	0.524	74%	0.742	S	S	.	*			trans	41	133.6	133.5	67.7	0	0	0	0	124.5
1253	S	28.5	Very low	28.2	Very low	83 Å²	83	127.9 Å²	127.9	58%	0.58	74%	0.739	S	S	*	*				139.5	69.3	116.1	75	0	0	0	0	123.6
1254	S	28.2	Very low	28.3	Very low	67 Å²	67	127.3 Å²	127.3	47%	0.469	74%	0.74	S	S	.	*				29.5	130.4	127.8	63.5	0	0	0	0	122.3	K1036	K1036-S1254 WeakPolarHBondContact CD-OG 3.09Å; K1036-S1254 WeakPolarHBondContact CE-OG 3.27Å; K1036-S1254 PolarHBondContact NZ-O 3.26Å
1255	L	27.4	Very low	28.5	Very low	155 Å²	155	124 Å²	124	81%	0.812	73%	0.73	S	S	*	*				-167.9	179.5	121.1	-108.5	171.7	0	0	0	114
1256	S	26.4	Very low	28.6	Very low	92 Å²	92	121.3 Å²	121.3	64%	0.643	73%	0.729	S	S	*	*			trans	-79.1	157.4	-165.5	53.1	0	0	0	0	117.6
1257	S	26	Very low	28.2	Very low	101 Å²	101	122.8 Å²	122.8	71%	0.706	73%	0.73	S	S	*	*				129.2	127.3	122.6	72.6	0	0	0	0	118.5
1258	S	26.1	Very low	28.1	Very low	106 Å²	106	122 Å²	122	74%	0.741	73%	0.726	S	S	*	*			trans	58	144.6	143.8	48.7	0	0	0	0	124.4
1259	S	25.2	Very low	28.2	Very low	105 Å²	105	116 Å²	116	73%	0.734	72%	0.719	S	S	*	*			trans	86.5	103.9	150.1	-59.1	0	0	0	0	120.9
1260	I	25.2	Very low	28.4	Very low	158 Å²	158	114.5 Å²	114.5	81%	0.81	72%	0.717	S	S	*	*				19.7	117.5	119.6	-44.4	173.4	0	0	0	114.1
1261	T	25.8	Very low	28.3	Very low	134 Å²	134	118.4 Å²	118.4	82%	0.822	72%	0.721	S	S	*	*				-158.4	161.8	74.9	-52.2	0	0	0	0	111.6
1262	A	26.5	Very low	28.4	Very low	85 Å²	85	126.5 Å²	126.5	70%	0.702	74%	0.737	S	S	*	*			trans	-94.1	142	-179.6	0	0	0	0	0	114
1263	V	28.1	Very low	28.3	Very low	146 Å²	146	125.7 Å²	125.7	89%	0.885	74%	0.74	S	S	*	*			trans	-144.5	161.8	147.2	171.3	0	0	0	0	108.2
1264	V	30.7	Very low	28.3	Very low	122 Å²	122	131.9 Å²	131.9	74%	0.739	75%	0.753	S	S	*	*			trans	-147.8	159.6	-164.1	176.3	0	0	0	0	107.6
1265	P	37.4	Very low	28.2	Very low	103 Å²	103	137.6 Å²	137.6	67%	0.669	77%	0.771	S	S	*	*			cis	-124.8	-177.3	-24.4	35.3	-18.2	0	0	0	113.4
1266	T	29	Very low	28.2	Very low	125 Å²	125	137 Å²	137	77%	0.767	77%	0.767	S	S	*	*				168.7	154.7	116.5	38.9	0	0	0	0	113.8
1267	N	28.6	Very low	28.2	Very low	142 Å²	142	140.8 Å²	140.8	76%	0.759	78%	0.78	S	S	*	*			trans	21.1	142.4	146.2	-63	0.4	0	0	0	121.1
1268	T	28.4	Very low	28.1	Very low	119 Å²	119	144.4 Å²	144.4	73%	0.73	79%	0.786	S	S	*	*			cis	-166.1	166	6.9	6.3	0	0	0	0	112.4
1269	S	29	Very low	28	Very low	101 Å²	101	148.3 Å²	148.3	71%	0.706	78%	0.784	S	S	*	*			trans	72.1	155.2	170	86.5	0	0	0	0	116.2
1270	K	34	Very low	28	Very low	201 Å²	201	151.6 Å²	151.6	87%	0.874	79%	0.79	S	S	*	*			cis	-113.6	163.8	5.2	-72	179.1	176.5	176.2	0	113.2
1271	F	26.4	Very low	27.9	Very low	190 Å²	190	149.4 Å²	149.4	83%	0.833	78%	0.78	S	S	*	*			trans	-88.6	148	-174.5	-75.7	-125.4	0	0	0	112.9
1272	Y	31.6	Very low	27.9	Very low	246 Å²	246	148.3 Å²	148.3	97%	0.965	78%	0.778	S	S	*	*				-139.6	125.2	126.4	-116	-84	0	0	0	107.6
1273	G	26.5	Very low	28	Very low	58 Å²	58	151.4 Å²	151.4	60%	0.598	78%	0.778	S	S	*	*			trans	-127.6	-178.1	-154.3	0	0	0	0	0	116.4	H1275	G1273-H1275 PolarHBondContact O-N 2.92Å
1274	Y	28.3	Very low	28	Very low	214 Å²	214	155.8 Å²	155.8	84%	0.839	78%	0.778	S	S	*	*			trans	-59.2	121.9	173.1	-89.4	-113.8	0	0	0	112.2
1275	H	26	Very low	27.8	Very low	186 Å²	186	156.3 Å²	156.3	86%	0.861	78%	0.782	S	S	*	*			trans	-161.8	150.7	132.7	-81.4	-73.2	0	0	0	104.3	G1273	G1273-H1275 PolarHBondContact O-N 2.92Å
1276	I	27.4	Very low	27.3	Very low	142 Å²	142	156.4 Å²	156.4	73%	0.728	78%	0.784	S	S	*	*			cis	-133.6	138.1	29	-67.8	162.6	0	0	0	109.6
1277	L	25.3	Very low	27.5	Very low	173 Å²	173	160.8 Å²	160.8	91%	0.906	79%	0.792	S	S	*	*			trans	-129.1	38.2	164.5	-137.1	-179.5	0	0	0	111
1278	E	24.1	Very low	27.6	Very low	177 Å²	177	158.8 Å²	158.8	83%	0.827	79%	0.789	S	S	*	*			trans	-155.5	99.4	177.1	-126.2	167.7	-144.8	0	0	112.2
1279	R	24.1	Very low	27.9	Very low	188 Å²	188	158 Å²	158	71%	0.709	79%	0.786	S	S	*	*			trans	-164	84.2	151.7	-116.7	179.5	-177.2	-132.7	-8.1	110.1	E1283	R1279-E1283 IonicContact CZ-OE1 3.38Å; R1279-E1283 IonicContact CZ-OE2 2.82Å; R1279-E1283 VanDerWaalsContact NH1-CD 3.27Å; R1279-E1283 IonicContact NH1-OE1 3.94Å; R1279-E1283 PolarHBondContact NH1-OE1 3.3Å; R1279-E1283 IonicContact NH1-OE2 3.51Å; R1279-E1283 PolarHBondContact NH1-OE2 2.84Å; R1279-E1283 IonicContact NH2-OE1 2.62Å; R1279-E1283 PolarHBondContact NH2-OE1 3.41Å; R1279-E1283 IonicContact NH2-OE2 2.67Å
1280	M	24.9	Very low	27.8	Very low	174 Å²	174	160 Å²	160	86%	0.857	79%	0.788	S	S	*	*			trans	-112.3	129.8	157.8	-78.8	-166.1	177.2	0	0	108.5
1281	N	24.9	Very low	27.7	Very low	111 Å²	111	158 Å²	158	59%	0.594	78%	0.782	S	S	*	*	S	Bend	trans	82.7	159.7	176.1	-44.7	-63.7	0	0	0	117
1282	S	25.2	Very low	27.8	Very low	112 Å²	112	155.5 Å²	155.5	78%	0.783	78%	0.775	S	S	*	*			trans	52.2	85.3	174.4	57.6	0	0	0	0	118.3
1283	E	27.3	Very low	27.6	Very low	150 Å²	150	150.1 Å²	150.1	70%	0.701	76%	0.763	S	S	*	*			trans	-151.5	83.9	140.9	-120.7	157.8	-137.1	0	0	109.7	R1279	R1279-E1283 IonicContact CZ-OE1 3.38Å; R1279-E1283 IonicContact CZ-OE2 2.82Å; R1279-E1283 VanDerWaalsContact NH1-CD 3.27Å; R1279-E1283 IonicContact NH1-OE1 3.94Å; R1279-E1283 PolarHBondContact NH1-OE1 3.3Å; R1279-E1283 IonicContact NH1-OE2 3.51Å; R1279-E1283 PolarHBondContact NH1-OE2 2.84Å; R1279-E1283 IonicContact NH2-OE1 2.62Å; R1279-E1283 PolarHBondContact NH2-OE1 3.41Å; R1279-E1283 IonicContact NH2-OE2 2.67Å
1284	R	29.1	Very low	27.8	Very low	237 Å²	237	153.5 Å²	153.5	89%	0.894	77%	0.767	S	S	*	*			trans	-103.7	166.9	148.8	-76.8	-172.1	179.4	-171.4	-0.1	106.6
1285	V	26.4	Very low	28	Very low	134 Å²	134	150.6 Å²	150.6	81%	0.812	77%	0.765	S	S	*	*			trans	116.8	113.2	159.4	178	0	0	0	0	114.2
1286	C	26.3	Very low	28.1	Very low	105 Å²	105	145.9 Å²	145.9	71%	0.709	75%	0.752	S	S	*	*			trans	47	127.1	152.1	-58.4	0	0	0	0	122.3
1287	K	33.3	Very low	28.1	Very low	217 Å²	217	144.2 Å²	144.2	94%	0.943	75%	0.749	S	S	*	*				-114.6	147.5	108.1	-70.3	-170.6	176.2	-173.4	0	109.3
1288	S	31.8	Very low	28.4	Very low	99 Å²	99	142.5 Å²	142.5	69%	0.692	74%	0.741	S	S	*	*			trans	-119	-178.4	172.2	59.1	0	0	0	0	107.8
1289	P	34	Very low	28.7	Very low	103 Å²	103	141 Å²	141	67%	0.669	74%	0.738	S	S	*	*			cis	-114.7	-163.6	-4.9	25.8	0.4	0	0	0	109.8
1290	D	27.7	Very low	28.9	Very low	142 Å²	142	142 Å²	142	76%	0.759	74%	0.743	S	S	*	*			cis	-151.2	-176.4	28.7	-87.2	-67.9	0	0	0	113.1
1291	E	31.3	Very low	29.2	Very low	160 Å²	160	142.5 Å²	142.5	75%	0.748	74%	0.74	S	S	*	*			trans	70.6	96.1	162.8	-58.5	-158.4	137.5	0	0	121.3
1292	M	28	Very low	29.6	Very low	137 Å²	137	145 Å²	145	68%	0.675	75%	0.754	S	S	*	*				73	108.7	125.6	-67.1	-165.9	-92.6	0	0	121.9
1293	N	27.3	Very low	29.8	Very low	133 Å²	133	146.4 Å²	146.4	71%	0.711	75%	0.753	S	S	*	*				52.1	130.2	114.7	-53.5	-20	0	0	0	118.5
1294	N	31.1	Very low	30.1	Very low	129 Å²	129	143.7 Å²	143.7	69%	0.69	75%	0.75	S	S	*	*			cis	-170.5	158.1	37.4	-128.1	-17.7	0	0	0	112.7
1295	I	32.4	Very low	30.3	Very low	153 Å²	153	139.5 Å²	139.5	79%	0.785	74%	0.741	S	S	*	*			trans	60	140.1	147.6	-64.7	161.6	0	0	0	119.3
1296	S	27.7	Very low	30.5	Very low	87 Å²	87	140.1 Å²	140.1	61%	0.608	74%	0.738	S	S	*	*			cis	-165.4	148.6	-28.1	-171.2	0	0	0	0	110.1
1297	T	28.5	Very low	30.7	Very low	107 Å²	107	142.4 Å²	142.4	66%	0.656	74%	0.743	S	S	*	*			trans	29	118	150.2	55	0	0	0	0	120.7
1298	N	31.4	Very low	30.7	Very low	138 Å²	138	139.8 Å²	139.8	74%	0.738	73%	0.734	S	S	*	*				-172.9	140.2	87.7	-98.9	-46.2	0	0	0	116.6
1299	L	30	Very low	30.7	Very low	146 Å²	146	146.5 Å²	146.5	76%	0.764	74%	0.744	S	S	*	*			trans	36.6	112.8	149.2	-56.5	164.4	0	0	0	120
1300	Y	27.8	Very low	30.5	Very low	207 Å²	207	147.8 Å²	147.8	81%	0.812	74%	0.744	S	S	*	*			cis	99.9	137.7	44	-102	-67.6	0	0	0	116.1
1301	K	30.8	Very low	30.5	Very low	185 Å²	185	150.7 Å²	150.7	80%	0.804	75%	0.75	S	S	*	*			trans	68	103.9	160.4	-62.6	167.3	-170.9	174.3	0	117.1
1302	D	34	Very low	30.4	Very low	163 Å²	163	151.4 Å²	151.4	87%	0.872	76%	0.755	S	S	*	*				-150.7	142.4	83	-143.2	-7.6	0	0	0	111.7
1303	N	28.7	Very low	30.3	Very low	143 Å²	143	153.3 Å²	153.3	77%	0.765	77%	0.767	S	S	*	*			trans	-158	110.4	-168.9	-152.7	-9.5	0	0	0	112.7
1304	S	34.1	Very low	30.4	Very low	92 Å²	92	151.2 Å²	151.2	64%	0.643	77%	0.768	S	S	*	*			trans	-150.2	162	177	64.7	0	0	0	0	113.1
1305	H	34.4	Very low	30.4	Very low	150 Å²	150	151 Å²	151	69%	0.694	77%	0.772	S	S	*	*			trans	69.4	39.2	176.3	-64.6	-76.3	0	0	0	119.2
1306	I	30.7	Very low	30.2	Very low	147 Å²	147	149 Å²	149	75%	0.754	76%	0.755	S	S	*	*			trans	-82.2	-18.1	155.4	-77.9	175.1	0	0	0	112.6	Q1308	I1306-Q1308 PolarHBondContact O-N 3.4Å
1307	N	29.8	Very low	30.4	Very low	153 Å²	153	147.2 Å²	147.2	82%	0.818	74%	0.743	S	S	*	*			trans	-95.6	50.4	-173.2	-76.9	-19.6	0	0	0	116
1308	Q	32.2	Very low	30.3	Very low	162 Å²	162	146.3 Å²	146.3	76%	0.757	74%	0.737	S	S	*	*			trans	-134.8	41.4	169.2	-77.7	-164.2	-11.1	0	0	113.9	I1306	I1306-Q1308 PolarHBondContact O-N 3.4Å
1309	R	32.1	Very low	30.3	Very low	239 Å²	239	146.8 Å²	146.8	90%	0.902	74%	0.74	S	S	*	*	S	Bend	trans	-126.8	8.8	176.7	-113.7	176.1	176.9	175.4	-3.3	116.3
1310	I	30.1	Very low	30.2	Very low	130 Å²	130	146.9 Å²	146.9	67%	0.667	74%	0.741	S	S	*	*	S	Bend	trans	-126.1	77.5	179.3	-49.4	177.4	0	0	0	109.9
1311	K	28.2	Very low	30.2	Very low	203 Å²	203	145 Å²	145	88%	0.883	74%	0.739	S	S	*	*			trans	178.4	151.7	157.3	-102.7	159.5	-176.2	176.4	0	110.3
1312	M	28.6	Very low	30.1	Very low	176 Å²	176	144.6 Å²	144.6	87%	0.867	74%	0.738	S	S	*	*			trans	86.7	56.8	-179.7	-53.6	-150.2	-56.7	0	0	119
1313	L	26.5	Very low	29.7	Very low	176 Å²	176	147.4 Å²	147.4	92%	0.921	74%	0.738	S	S	*	*	S	Bend	trans	-128.9	143.7	132.2	-81	175.5	0	0	0	107.6
1314	A	28.3	Very low	29.5	Very low	89 Å²	89	146.6 Å²	146.6	74%	0.736	73%	0.734	S	S	*	*			trans	60.6	147.9	-156.1	0	0	0	0	0	112.8
1315	T	31.5	Very low	29.2	Very low	125 Å²	125	151 Å²	151	77%	0.767	74%	0.741	S	S	*	*			cis	-140.4	148.4	28.7	-66.5	0	0	0	0	113.1
1316	Y	27.9	Very low	29	Very low	110 Å²	110	150.9 Å²	150.9	43%	0.431	74%	0.744	S	S	.	*			trans	-98.6	105.4	168.7	-86.5	-60.9	0	0	0	111.1	N1415 F1418 R1419	Y1316-N1415 HydrophobicContact CD1-CB 4.34Å; Y1316-N1415 HydrophobicContact CE1-CB 3.75Å; Y1316-N1415 VanDerWaalsContact CE1-CG 3.43Å; Y1316-N1415 WeakPolarHBondContact CE1-OD1 3.39Å; Y1316-N1415 PolarHBondContact OH-OD1 3.4Å; Y1316-F1418 HydrophobicContact CD2-CB 4.43Å; Y1316-R1419 HydrophobicContact CD1-CG 4.27Å; Y1316-R1419 HydrophobicContact CG-CG 4.33Å
1317	C	32.1	Very low	28.8	Very low	51 Å²	51	148 Å²	148	35%	0.345	74%	0.737	S	S	.	*			trans	-161.2	157.7	145.7	-119.3	0	0	0	0	114.9	R1419 L1423	C1317-R1419 PolarHBondContact O-NH1 2.94Å; C1317-R1419 PolarHBondContact O-NH2 3.05Å; C1317-L1423 VanDerWaalsContact SG-CD1 3.55Å
1318	T	27.7	Very low	28.8	Very low	87 Å²	87	146.8 Å²	146.8	53%	0.534	73%	0.73	S	S	.	*			trans	-95	151.3	164	30.1	0	0	0	0	108.3	R1419	T1318-R1419 VanDerWaalsContact N-NH1 3.18Å
1319	N	31.6	Very low	28.9	Very low	149 Å²	149	148 Å²	148	80%	0.797	73%	0.733	S	S	*	*				-167.3	151.1	113.4	-92.8	2.5	0	0	0	109
1320	D	26.9	Very low	28.9	Very low	148 Å²	148	140 Å²	140	79%	0.791	73%	0.726	S	S	*	*			trans	-68.4	151.7	166.8	-51.7	-85.2	0	0	0	110.4
1321	Q	28.2	Very low	29.1	Very low	166 Å²	166	139.4 Å²	139.4	78%	0.776	73%	0.728	S	S	*	*				176.7	162.2	115.7	-96	178.6	5	0	0	112.9
1322	F	28.7	Very low	29.4	Very low	177 Å²	177	136.9 Å²	136.9	78%	0.776	72%	0.723	S	S	*	*			trans	55.3	87.5	167.1	-67.2	-66.4	0	0	0	120.2
1323	Y	24.8	Very low	29.6	Very low	222 Å²	222	134.8 Å²	134.8	87%	0.871	72%	0.715	S	S	*	*				-54.6	126.7	127.8	-111.8	-99.7	0	0	0	110.2
1324	N	26.1	Very low	30.1	Very low	127 Å²	127	132.3 Å²	132.3	68%	0.679	70%	0.703	S	S	*	*			trans	171.4	135.3	130.7	-101.3	-57.6	0	0	0	113.3
1325	K	27.2	Very low	30.4	Very low	184 Å²	184	133.3 Å²	133.3	80%	0.8	70%	0.699	S	S	*	*			trans	63.1	156.9	151.1	-66.5	177.5	-179.6	-179.8	0	116.4
1326	I	30.3	Very low	30.6	Very low	147 Å²	147	133.2 Å²	133.2	75%	0.754	69%	0.694	S	S	*	*			cis	-141.8	164	0.4	-131.9	157.4	0	0	0	110.4
1327	S	26.6	Very low	31	Very low	87 Å²	87	133.4 Å²	133.4	61%	0.608	70%	0.703	S	S	*	*			trans	-77.7	154.1	177.8	52.9	0	0	0	0	114.2
1328	N	30.4	Very low	31.1	Very low	127 Å²	127	138 Å²	138	68%	0.679	72%	0.717	S	S	*	*				-175	142.6	121.4	-98.1	-45.6	0	0	0	114.9
1329	K	32.9	Very low	31.4	Very low	188 Å²	188	143.4 Å²	143.4	82%	0.817	73%	0.727	S	S	*	*			trans	36	134	139.8	-55.8	168	-173.9	-178.7	0	119.5
1330	G	33.3	Very low	31.6	Very low	72 Å²	72	143.1 Å²	143.1	74%	0.742	72%	0.721	S	S	*	*			cis	179	-153.6	1.9	0	0	0	0	0	109.1
1331	T	33.4	Very low	31.9	Very low	117 Å²	117	142.8 Å²	142.8	72%	0.718	72%	0.717	S	S	*	*			cis	-168.1	131.7	8.3	-59.1	0	0	0	0	109.4
1332	I	34.1	Very low	32	Very low	149 Å²	149	142.9 Å²	142.9	76%	0.764	72%	0.717	S	S	*	*			trans	66.7	141.8	156.1	-74.6	175	0	0	0	116.8
1333	N	34.1	Very low	32.2	Very low	133 Å²	133	143 Å²	143	71%	0.711	72%	0.717	S	S	*	*			cis	-157.8	177.5	10.6	-123.9	-2.3	0	0	0	108.4
1334	N	35.7	Very low	32.5	Very low	123 Å²	123	139.4 Å²	139.4	66%	0.658	71%	0.712	S	S	*	*			cis	-167.4	-174.9	-22.8	-148.5	-20.7	0	0	0	110.1
1335	V	35.1	Very low	32.8	Very low	110 Å²	110	140.6 Å²	140.6	67%	0.667	72%	0.717	S	S	*	*			trans	54.1	126.4	143.2	162.4	0	0	0	0	119.9
1336	N	34.8	Very low	32.7	Very low	124 Å²	124	137.1 Å²	137.1	66%	0.663	72%	0.716	S	S	*	*			cis	-170.9	162.6	-11.4	-129	-15.9	0	0	0	113.7
1337	N	36.7	Very low	32.7	Very low	113 Å²	113	133.3 Å²	133.3	60%	0.604	71%	0.713	S	S	*	*			trans	68	144.2	156.5	-63.2	-39.7	0	0	0	120.2
1338	K	34.7	Very low	32.8	Very low	147 Å²	147	139.6 Å²	139.6	64%	0.639	73%	0.725	S	S	*	*			cis	-165.6	135.1	-12.1	-117.6	166.1	-175.7	168.9	0	112.4
1339	R	34.9	Very low	32.6	Very low	202 Å²	202	141.1 Å²	141.1	76%	0.762	73%	0.728	S	S	*	*			trans	62	156.5	143.3	-65.9	171.9	173.9	-167.2	-4.1	118.6
1340	Q	35.3	Very low	32.2	Very low	143 Å²	143	138.2 Å²	138.2	67%	0.668	72%	0.721	S	S	*	*			cis	-168.5	158.3	-12.3	-112.4	170.9	-106.4	0	0	106.1
1341	M	32.8	Very low	32.1	Very low	140 Å²	140	141.9 Å²	141.9	69%	0.69	72%	0.724	S	S	*	*			cis	-136.4	166.8	-6.7	-87.3	-166	-61.4	0	0	106.9
1342	Q	30.4	Very low	31.7	Very low	168 Å²	168	144.9 Å²	144.9	79%	0.785	73%	0.727	S	S	*	*			cis	95.7	136.7	21.4	-158.4	-176.6	43.6	0	0	115.8
1343	K	32.8	Very low	31.5	Very low	180 Å²	180	148.4 Å²	148.4	78%	0.783	73%	0.732	S	S	*	*			trans	92.6	141.2	-175.2	-60.1	-170.3	177.5	-177.6	0	114.1
1344	L	30.9	Very low	31.1	Very low	146 Å²	146	145.7 Å²	145.7	76%	0.764	73%	0.728	S	S	*	*			cis	-162.6	162.2	-16.1	-103.1	-171.6	0	0	0	106.2
1345	I	32.5	Very low	30.8	Very low	152 Å²	152	146.4 Å²	146.4	78%	0.779	73%	0.732	S	S	*	*			cis	-145.6	-158.9	-3.5	-165.5	156	0	0	0	107.9
1346	S	25.9	Very low	30.5	Very low	112 Å²	112	148.1 Å²	148.1	78%	0.783	74%	0.737	S	S	*	*			trans	-133.5	160.2	171.6	56.4	0	0	0	0	111.7
1347	G	29.9	Very low	30	Very low	66 Å²	66	149.5 Å²	149.5	68%	0.68	74%	0.743	S	S	*	*			trans	-163.8	129.1	176.5	0	0	0	0	0	115.1
1348	Y	28.4	Very low	29.6	Very low	220 Å²	220	149.5 Å²	149.5	86%	0.863	75%	0.749	S	S	*	*			trans	26	122.9	157	-64.7	-92.9	0	0	0	120.2
1349	Q	26.3	Very low	29.1	Very low	158 Å²	158	149.1 Å²	149.1	74%	0.738	75%	0.754	S	S	*	*				65.6	120.9	51.9	-67.5	-155.4	5.5	0	0	117
1350	N	25	Very low	28.8	Very low	128 Å²	128	146.4 Å²	146.4	68%	0.684	76%	0.755	S	S	*	*			trans	52.3	109	140.8	-57.3	-27.6	0	0	0	120.7
1351	N	29.9	Very low	28.4	Very low	149 Å²	149	146.6 Å²	146.6	80%	0.797	76%	0.755	S	S	*	*				-163.7	143.4	106.6	-86.2	-32.4	0	0	0	108.8
1352	K	26	Very low	28.1	Very low	180 Å²	180	147.9 Å²	147.9	78%	0.783	75%	0.753	S	S	*	*			cis	75.1	77.9	44.8	-92.6	-162.4	172.3	-170.4	0	115.4
1353	Y	29.5	Very low	27.9	Very low	223 Å²	223	148.2 Å²	148.2	88%	0.875	75%	0.747	S	S	*	*			trans	-151.2	125.9	135.9	-75.8	-77.3	0	0	0	104.5
1354	A	25.5	Very low	27.5	Very low	75 Å²	75	148.8 Å²	148.8	62%	0.62	75%	0.745	S	S	*	*			cis	61.7	100	15.6	0	0	0	0	0	113.9
1355	D	28.5	Very low	27.3	Very low	139 Å²	139	149 Å²	149	74%	0.743	74%	0.742	S	S	*	*				-172.1	165.5	115.5	-91.8	-18	0	0	0	113.7
1356	N	29.3	Very low	27	Very low	145 Å²	145	150.9 Å²	150.9	78%	0.775	74%	0.739	S	S	*	*			trans	66.8	65.6	157.8	-59.7	-24.6	0	0	0	120.5
1357	I	25.1	Very low	27.1	Very low	153 Å²	153	151.6 Å²	151.6	79%	0.785	73%	0.733	S	S	*	*				-26.9	133.3	119.1	-72.6	168.7	0	0	0	111
1358	P	27.9	Very low	27	Very low	114 Å²	114	152.9 Å²	152.9	74%	0.74	72%	0.72	S	S	*	*				-145.2	161.6	78.5	39	-21.1	0	0	0	118.8
1359	N	25.3	Very low	27.1	Very low	138 Å²	138	145.9 Å²	145.9	74%	0.738	70%	0.703	S	S	*	*			trans	-54.3	144.8	162.5	-53.8	-69.6	0	0	0	111
1360	N	27.6	Very low	27.3	Very low	146 Å²	146	143.7 Å²	143.7	78%	0.781	70%	0.701	S	S	*	*				-159	150	103.5	-109.9	-42.8	0	0	0	117.8
1361	H	27.9	Very low	27.6	Very low	146 Å²	146	141.6 Å²	141.6	68%	0.676	70%	0.696	S	S	*	*			trans	-24.4	138.1	170	-74.9	-49.8	0	0	0	122.3
1362	R	25.8	Very low	27.8	Very low	167 Å²	167	139.1 Å²	139.1	63%	0.63	69%	0.687	S	S	*	*				92.1	136.3	120	-83.4	175	173.9	178.9	-2	121.3
1363	R	25.2	Very low	28	Very low	176 Å²	176	137.8 Å²	137.8	66%	0.664	69%	0.686	S	S	*	*			trans	80.2	94.3	145.9	-71.7	178.5	171.1	179	-4.5	119.6
1364	Y	24.8	Very low	28.2	Very low	191 Å²	191	135 Å²	135	75%	0.749	68%	0.676	S	S	*	*				69.1	135	118.4	-81	-59.3	0	0	0	122.2
1365	H	27.2	Very low	28.5	Very low	150 Å²	150	134.5 Å²	134.5	69%	0.694	67%	0.666	S	S	*	*			trans	74.3	146.5	139.8	-77.2	-28.7	0	0	0	118.6
1366	R	26.2	Very low	28.5	Very low	193 Å²	193	133.2 Å²	133.2	73%	0.728	66%	0.658	S	S	*	*			cis	-155.8	135	-12.8	-171.2	171	-175.2	168.4	-1.8	111.1
1367	I	27.9	Very low	28.5	Very low	127 Å²	127	138 Å²	138	65%	0.651	67%	0.665	S	S	*	*			trans	7.5	125.7	148.1	-32.6	160.4	0	0	0	116.9
1368	K	27	Very low	28.7	Very low	92 Å²	92	135.8 Å²	135.8	40%	0.4	66%	0.663	S	S	.	*				170.5	150.5	115.4	-91.6	169.3	-179.6	-178.9	0	111.8	D1382 R1383 I1384	K1368-D1382 PolarHBondContact NZ-O 3.19Å; K1368-R1383 PolarHBondContact NZ-O 2.95Å; K1368-I1384 HydrophobicContact CD-CB 4.32Å; K1368-I1384 HydrophobicContact CD-CG1 4.01Å; K1368-I1384 VanDerWaalsContact CD-N 3.33Å
1369	S	30.4	Very low	28.8	Very low	73 Å²	73	141.4 Å²	141.4	51%	0.51	67%	0.671	S	S	.	*			cis	172.4	-166.9	-22.8	52.9	0	0	0	0	107.5
1370	T	30.8	Very low	29.3	Very low	112 Å²	112	139.6 Å²	139.6	69%	0.687	67%	0.669	S	S	*	*			trans	67.1	143.5	158.5	42.9	0	0	0	0	116.7
1371	S	31.9	Very low	29.5	Very low	84 Å²	84	140.1 Å²	140.1	59%	0.587	67%	0.667	S	S	*	*			cis	-158.9	-162.1	-10.1	47.2	0	0	0	0	107.1
1372	T	34	Very low	29.6	Very low	98 Å²	98	137.6 Å²	137.6	60%	0.601	66%	0.658	S	S	*	*			cis	-163.6	169.8	17	-12.1	0	0	0	0	105.5	Y1374	T1372-Y1374 HydrophobicContact CG2-CD2 3.7Å; T1372-Y1374 HydrophobicContact CG2-CE2 3.54Å
1373	I	31.3	Very low	29.7	Very low	151 Å²	151	138.9 Å²	138.9	77%	0.774	66%	0.663	S	S	*	*			cis	-109.4	-132.3	18.6	-51.4	171	0	0	0	110.5
1374	Y	31.9	Very low	30	Very low	166 Å²	166	135.7 Å²	135.7	65%	0.651	66%	0.658	S	S	*	*			trans	-173.6	172.6	-146.2	-81.1	-54.8	0	0	0	110.4	T1372	T1372-Y1374 HydrophobicContact CG2-CD2 3.7Å; T1372-Y1374 HydrophobicContact CG2-CE2 3.54Å
1375	P	33.3	Very low	30.2	Very low	64 Å²	64	133.6 Å²	133.6	42%	0.416	66%	0.659	S	S	.	*			cis	-135.9	162.5	-9.5	24	-1.5	0	0	0	116
1376	I	27.4	Very low	30.2	Very low	112 Å²	112	129.6 Å²	129.6	57%	0.574	65%	0.648	S	S	*	*			trans	-116.9	133.5	142.8	-71.3	158.5	0	0	0	106	N323	N323-I1376 WeakPolarHBondContact ND2-CG2 3.34Å; N323-I1376 WeakPolarHBondContact OD1-CD1 3.14Å
1377	R	30.2	Very low	30.3	Very low	246 Å²	246	127.4 Å²	127.4	93%	0.928	65%	0.65	S	S	*	*			trans	-79.1	149.9	177.1	-86.6	-175	172.2	173.5	-1.3	111.6
1378	S	29.5	Very low	30.4	Very low	105 Å²	105	127 Å²	127	73%	0.734	65%	0.649	S	S	*	*			trans	-146.1	139.3	178.8	57.2	0	0	0	0	111.1
1379	Y	30	Very low	30.5	Very low	232 Å²	232	128.8 Å²	128.8	91%	0.91	66%	0.663	S	S	*	*			trans	-94.7	141.7	152	-83.8	-101.8	0	0	0	107.8
1380	S	34.2	Very low	30.5	Very low	100 Å²	100	131.2 Å²	131.2	70%	0.699	67%	0.67	S	S	*	*			cis	-147.2	-179.5	-1.8	54.6	0	0	0	0	112.1
1381	Q	31.7	Very low	30.5	Very low	157 Å²	157	131.5 Å²	131.5	73%	0.734	67%	0.667	S	S	*	*			trans	-46.9	163.6	-174.6	-88.3	79.8	-15.6	0	0	116.8
1382	D	31.1	Very low	30.4	Very low	94 Å²	94	135.7 Å²	135.7	50%	0.503	68%	0.677	S	S	.	*			cis	-151.9	169.7	31.6	-138	-27.5	0	0	0	118	K1368	K1368-D1382 PolarHBondContact NZ-O 3.19Å
1383	R	28.5	Very low	30.3	Very low	194 Å²	194	133 Å²	133	73%	0.732	67%	0.669	S	S	*	*			trans	22.9	132	157.7	-82.3	159.5	-103.7	-157.6	5.1	121	K1368	K1368-R1383 PolarHBondContact NZ-O 2.95Å
1384	I	30.7	Very low	30.2	Very low	108 Å²	108	134 Å²	134	55%	0.554	67%	0.667	S	S	*	*			cis	76.4	111.4	11.7	-35.4	175.4	0	0	0	110.7	K1368	K1368-I1384 HydrophobicContact CD-CB 4.32Å; K1368-I1384 HydrophobicContact CD-CG1 4.01Å; K1368-I1384 VanDerWaalsContact CD-N 3.33Å
1385	L	28.5	Very low	30.1	Very low	148 Å²	148	127.8 Å²	127.8	78%	0.775	65%	0.654	S	S	*	*				-159.7	-178.5	72.5	-79.7	163.7	0	0	0	110.2
1386	S	28.2	Very low	29.8	Very low	66 Å²	66	128.4 Å²	128.4	46%	0.462	66%	0.66	S	S	.	*			cis	-179.9	170.9	-45.2	59	0	0	0	0	111.1
1387	L	29	Very low	29.9	Very low	147 Å²	147	131.8 Å²	131.8	77%	0.77	67%	0.671	S	S	*	*			trans	78.2	149.8	165.9	-49	159.2	0	0	0	116.5
1388	N	28.9	Very low	29.9	Very low	119 Å²	119	128.4 Å²	128.4	64%	0.636	67%	0.666	S	S	*	*			cis	-163.7	152.3	-16	-115.7	2.8	0	0	0	112.8
1389	N	29.8	Very low	29.7	Very low	128 Å²	128	131.2 Å²	131.2	68%	0.684	67%	0.672	S	S	*	*			trans	63	151.5	146.8	-65.5	-9.4	0	0	0	120.8
1390	L	29.4	Very low	29.7	Very low	125 Å²	125	125 Å²	125	65%	0.654	66%	0.658	S	S	*	*			cis	-161.1	140.5	-8.8	-110.4	164.3	0	0	0	110.4
1391	N	30.3	Very low	29.3	Very low	118 Å²	118	125.2 Å²	125.2	63%	0.631	66%	0.66	S	S	*	*			trans	50.7	152.1	148.1	-69	-2.4	0	0	0	122.1
1392	H	31.1	Very low	29.2	Very low	172 Å²	172	124.5 Å²	124.5	80%	0.796	66%	0.658	S	S	*	*			cis	-147.3	176.2	-5.1	-90.1	-40.4	0	0	0	108.1
1393	G	31.1	Very low	29.1	Very low	42 Å²	42	124 Å²	124	43%	0.433	66%	0.663	S	S	.	*			cis	-147.4	-158.1	3.6	0	0	0	0	0	114.3	K145	K145-G1393 WeakPolarHBondContact CE-O 3.39Å; K145-G1393 PolarHBondContact NZ-O 3.29Å
1394	K	28.9	Very low	29.3	Very low	170 Å²	170	118.8 Å²	118.8	74%	0.739	66%	0.656	S	S	*	*			trans	-103.1	148.1	-152.6	-69.6	-175.2	173.1	-176	0	120.1	K145 N146	K145-K1394 CarbonylContact C-O 3.56Å; K145-K1394 WeakPolarHBondContact CA-O 3.42Å; K145-K1394 WeakPolarHBondContact CB-O 3.41Å; K145-K1394 VanDerWaalsContact CD-C 3.44Å; K145-K1394 WeakPolarHBondContact CG-O 3.19Å; N146-K1394 VanDerWaalsContact CB-O 3.28Å; N146-K1394 WeakPolarHBondContact CB-O 3.49Å; N146-K1394 PolarHBondContact N-O 3.09Å; N146-K1394 VanDerWaalsContact N-O 3.11Å
1395	G	29.5	Very low	29.2	Very low	36 Å²	36	115.3 Å²	115.3	37%	0.371	65%	0.647	S	S	.	*			trans	129.3	171	166.7	0	0	0	0	0	113.8	K145 N146	K145-G1395 WeakPolarHBondContact CD-O 3.18Å; K145-G1395 WeakPolarHBondContact CE-O 3.42Å; N146-G1395 VanDerWaalsContact CG-CA 3.42Å; N146-G1395 WeakPolarHBondContact OD1-CA 3.36Å
1396	S	27.3	Very low	29.4	Very low	77 Å²	77	117 Å²	117	54%	0.538	64%	0.644	S	S	.	*			cis	-171	116.1	-24.4	21.3	0	0	0	0	107.8	N146	N146-S1396 WeakPolarHBondContact OD1-CB 3.35Å; N146-S1396 PolarHBondContact OD1-OG 3.14Å; N146-S1396 VanDerWaalsContact OD1-OG 3.11Å
1397	F	30.5	Very low	29.8	Very low	184 Å²	184	117.2 Å²	117.2	81%	0.807	65%	0.645	S	S	*	*			trans	-158.6	116.9	172.8	-107	-91.2	0	0	0	103.9	V1400	F1397-V1400 HydrophobicContact CD1-CG2 4.28Å
1398	E	30.7	Very low	30	Very low	174 Å²	174	113.3 Å²	113.3	81%	0.813	63%	0.631	S	S	*	*				64.8	133.5	58.4	-64.6	-153.4	151.3	0	0	114.7	V1400	E1398-V1400 PolarHBondContact O-N 2.97Å; E1398-V1400 VanDerWaalsContact O-N 3.11Å
1399	D	25	Very low	30.1	Very low	164 Å²	164	114.8 Å²	114.8	88%	0.877	63%	0.632	S	S	*	*			trans	-66	101.1	-163.1	-81	-41.4	0	0	0	114.6
1400	V	29.4	Very low	30.5	Very low	101 Å²	101	111.7 Å²	111.7	61%	0.612	62%	0.617	S	S	*	*			trans	-99.9	90.1	165.2	-171.5	0	0	0	0	110.3	F1397 E1398 M1402	F1397-V1400 HydrophobicContact CD1-CG2 4.28Å; E1398-V1400 PolarHBondContact O-N 2.97Å; E1398-V1400 VanDerWaalsContact O-N 3.11Å; V1400-M1402 VanDerWaalsContact C-N 3.32Å; V1400-M1402 HydrophobicContact CG1-CG 3.91Å; V1400-M1402 PolarHBondContact O-N 3.36Å
1401	S	27	Very low	30.8	Very low	106 Å²	106	111.5 Å²	111.5	74%	0.741	61%	0.608	S	S	*	*			trans	-65	84	174	65.6	0	0	0	0	111.7	S1403	S1401-S1403 PolarHBondContact O-N 3.44Å
1402	M	27.9	Very low	31	Very low	141 Å²	141	111.1 Å²	111.1	70%	0.695	61%	0.605	S	S	*	*			trans	-73.1	59.6	-176.3	-76.5	-130	77.1	0	0	114.3	V1400 S1404	V1400-M1402 VanDerWaalsContact C-N 3.32Å; V1400-M1402 HydrophobicContact CG1-CG 3.91Å; V1400-M1402 PolarHBondContact O-N 3.36Å; M1402-S1404 VanDerWaalsContact C-N 3.32Å; M1402-S1404 WeakPolarHBondContact CE-O 3.37Å
1403	S	30	Very low	31.3	Very low	85 Å²	85	109.7 Å²	109.7	59%	0.594	60%	0.597	S	S	*	*			trans	-95.4	24.8	164.1	87.1	0	0	0	0	112.5	R358 S1401	R358-S1403 PolarHBondContact NH1-OG 3.24Å; R358-S1403 VanDerWaalsContact NH1-OG 3.09Å; S1401-S1403 PolarHBondContact O-N 3.44Å
1404	S	31.9	Very low	31.7	Very low	84 Å²	84	112 Å²	112	59%	0.587	60%	0.599	S	S	*	*			trans	-150	111	176.2	54.5	0	0	0	0	111.1	M1402	M1402-S1404 VanDerWaalsContact C-N 3.32Å; M1402-S1404 WeakPolarHBondContact CE-O 3.37Å
1405	G	29.4	Very low	32.1	Very low	35 Å²	35	105.8 Å²	105.8	36%	0.361	57%	0.574	S	S	.	*	S	Bend	trans	-168.8	-46.8	173.7	0	0	0	0	0	112.6	S1407	G1405-S1407 VanDerWaalsContact C-N 3.26Å; G1405-S1407 PolarHBondContact O-N 2.82Å
1406	Y	31.3	Very low	32.6	Very low	182 Å²	182	107.4 Å²	107.4	71%	0.714	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	0.4	-179.7	-103.2	-94.4	0	0	0	116	V1410	Y1406-V1410 HydrophobicContact CD1-CG2 4.04Å; Y1406-V1410 HydrophobicContact CE1-CG2 4.49Å; Y1406-V1410 WeakPolarHBondContact O-CG2 3.39Å
1407	S	38	Very low	33.3	Very low	71 Å²	71	106.7 Å²	106.7	50%	0.497	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109	-13.8	-178.3	-162.6	0	0	0	0	114.7	G1405 R1411	G1405-S1407 VanDerWaalsContact C-N 3.26Å; G1405-S1407 PolarHBondContact O-N 2.82Å; S1407-R1411 PolarHBondContact O-NH1 3.16Å; S1407-R1411 PolarHBondContact O-NH2 3.23Å; S1407-R1411 PolarHBondContact OG-NH2 2.81Å
1408	S	32.4	Very low	33.7	Very low	66 Å²	66	103.1 Å²	103.1	46%	0.462	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.4	-55.7	171.8	44.6	0	0	0	0	110.7	V1410 R1411 D1412	S1408-V1410 PolarHBondContact O-N 3.21Å; S1408-V1410 VanDerWaalsContact O-N 3.1Å; S1408-R1411 WeakPolarHBondContact O-CA 3.19Å; S1408-R1411 WeakPolarHBondContact O-CB 3.33Å; S1408-R1411 PolarHBondContact O-N 3.1Å; S1408-D1412 PolarHBondContact O-N 2.7Å
1409	F	31.3	Very low	34.5	Very low	150 Å²	150	98 Å²	98	66%	0.658	53%	0.532	S	S	*	.	H	α-helix	trans	-59.7	-29.8	-175.3	-160.6	-103.4	0	0	0	114.2	K1413	F1409-K1413 WeakPolarHBondContact O-CB 3.43Å
1410	V	38.4	Very low	35.5	Very low	62 Å²	62	94.4 Å²	94.4	38%	0.376	51%	0.51	S	S	.	.	H	α-helix	trans	-77.5	-33.1	172.5	177.4	0	0	0	0	111.8	Y1406 S1408 L1414	Y1406-V1410 HydrophobicContact CD1-CG2 4.04Å; Y1406-V1410 HydrophobicContact CE1-CG2 4.49Å; Y1406-V1410 WeakPolarHBondContact O-CG2 3.39Å; S1408-V1410 PolarHBondContact O-N 3.21Å; S1408-V1410 VanDerWaalsContact O-N 3.1Å; V1410-L1414 HydrophobicContact CG1-CD1 3.71Å; V1410-L1414 HydrophobicContact CG1-CG 4.32Å; V1410-L1414 WeakPolarHBondContact O-CB 3.35Å; V1410-L1414 VanDerWaalsContact O-CG 3.28Å; V1410-L1414 WeakPolarHBondContact O-CG 3.49Å; V1410-L1414 PolarHBondContact O-N 3.36Å
1411	R	35	Very low	36.2	Very low	122 Å²	122	93 Å²	93	46%	0.46	50%	0.499	S	S	.	.	H	α-helix	trans	-69.9	-44.5	179.1	-165.4	172.9	-67.9	122.4	7.2	110.6	S1407 S1408 K1413 N1415	S1407-R1411 PolarHBondContact O-NH1 3.16Å; S1407-R1411 PolarHBondContact O-NH2 3.23Å; S1407-R1411 PolarHBondContact OG-NH2 2.81Å; S1408-R1411 WeakPolarHBondContact O-CA 3.19Å; S1408-R1411 WeakPolarHBondContact O-CB 3.33Å; S1408-R1411 PolarHBondContact O-N 3.1Å; R1411-K1413 PolarHBondContact O-N 3.49Å; R1411-N1415 PolarHBondContact O-N 3.43Å; R1411-N1415 PolarHBondContact O-ND2 3.17Å; R1411-N1415 PolarHBondContact O-OD1 3.45Å
1412	D	35.6	Very low	37.4	Very low	109 Å²	109	90.5 Å²	90.5	58%	0.583	49%	0.485	S	S	*	.	H	α-helix	trans	-73.7	-30.7	-177.4	-57	-44.7	0	0	0	113	S1408	S1408-D1412 PolarHBondContact O-N 2.7Å
1413	K	37.3	Very low	38.7	Very low	142 Å²	142	88.1 Å²	88.1	62%	0.617	47%	0.474	S	S	*	.	H	α-helix	trans	-85.4	-21.7	-178.4	-135.6	173.1	-170.4	177.3	0	115	F1409 R1411 S1416	F1409-K1413 WeakPolarHBondContact O-CB 3.43Å; R1411-K1413 PolarHBondContact O-N 3.49Å; K1413-S1416 PolarHBondContact O-OG 3.44Å
1414	L	38.2	Very low	39.9	Very low	90 Å²	90	88.1 Å²	88.1	47%	0.471	47%	0.465	S	S	.	.	H	α-helix	trans	-76.5	-30.3	169.9	-73	173.5	0	0	0	112.1	V1410 S1416 S1417 F1418	V1410-L1414 HydrophobicContact CG1-CD1 3.71Å; V1410-L1414 HydrophobicContact CG1-CG 4.32Å; V1410-L1414 WeakPolarHBondContact O-CB 3.35Å; V1410-L1414 VanDerWaalsContact O-CG 3.28Å; V1410-L1414 WeakPolarHBondContact O-CG 3.49Å; V1410-L1414 PolarHBondContact O-N 3.36Å; L1414-S1416 PolarHBondContact O-N 3.35Å; L1414-S1417 PolarHBondContact O-N 3.2Å; L1414-S1417 VanDerWaalsContact O-N 3.12Å; L1414-F1418 PolarHBondContact O-N 2.7Å; L1414-F1418 VanDerWaalsContact O-N 3.16Å
1415	N	39.1	Very low	40.6	Very low	40 Å²	40	90.2 Å²	90.2	21%	0.214	47%	0.467	C	S	.	.	H	α-helix	trans	-61.4	-38.9	-174.8	-70.1	-2.7	0	0	0	113.3	Y1316 R1411 R1419	Y1316-N1415 HydrophobicContact CD1-CB 4.34Å; Y1316-N1415 HydrophobicContact CE1-CB 3.75Å; Y1316-N1415 VanDerWaalsContact CE1-CG 3.43Å; Y1316-N1415 WeakPolarHBondContact CE1-OD1 3.39Å; Y1316-N1415 PolarHBondContact OH-OD1 3.4Å; R1411-N1415 PolarHBondContact O-N 3.43Å; R1411-N1415 PolarHBondContact O-ND2 3.17Å; R1411-N1415 PolarHBondContact O-OD1 3.45Å; N1415-R1419 WeakPolarHBondContact O-CG 3.47Å; N1415-R1419 PolarHBondContact O-N 3.23Å
1416	S	39.8	Very low	41.7	Very low	70 Å²	70	95.1 Å²	95.1	49%	0.49	48%	0.478	S	S	.	.	H	α-helix	trans	-69.4	-34	175.6	56.3	0	0	0	0	113.1	K1413 L1414 R1419 H1420	K1413-S1416 PolarHBondContact O-OG 3.44Å; L1414-S1416 PolarHBondContact O-N 3.35Å; S1416-R1419 PolarHBondContact O-N 3.36Å; S1416-H1420 PolarHBondContact O-N 2.94Å
1417	S	40.4	Very low	42.8	Very low	63 Å²	63	92.8 Å²	92.8	44%	0.441	47%	0.472	S	S	.	.	H	α-helix	trans	-76.6	-23.2	-177.3	-65.5	0	0	0	0	113.6	L1414	L1414-S1417 PolarHBondContact O-N 3.2Å; L1414-S1417 VanDerWaalsContact O-N 3.12Å
1418	F	40.6	Very low	43.1	Very low	108 Å²	108	92 Å²	92	47%	0.474	47%	0.47	S	S	.	.	H	α-helix	trans	-81.5	-38	168.3	-89.6	-89	0	0	0	112.5	Y1316 L1414 H1420 L1421 A1422	Y1316-F1418 HydrophobicContact CD2-CB 4.43Å; L1414-F1418 PolarHBondContact O-N 2.7Å; L1414-F1418 VanDerWaalsContact O-N 3.16Å; F1418-H1420 VanDerWaalsContact C-N 3.33Å; F1418-H1420 PolarHBondContact O-N 3.05Å; F1418-L1421 PolarHBondContact O-N 3.03Å; F1418-A1422 PolarHBondContact O-N 3.45Å
1419	R	46	Very low	43.6	Very low	67 Å²	67	96 Å²	96	25%	0.253	48%	0.481	S	S	.	.	H	α-helix	trans	-52.6	-49	174.3	-76.4	179.9	169.9	-156.1	-7.7	112.2	Y1316 C1317 T1318 N1415 S1416 L1421 A1422 L1423	Y1316-R1419 HydrophobicContact CD1-CG 4.27Å; Y1316-R1419 HydrophobicContact CG-CG 4.33Å; C1317-R1419 PolarHBondContact O-NH1 2.94Å; C1317-R1419 PolarHBondContact O-NH2 3.05Å; T1318-R1419 VanDerWaalsContact N-NH1 3.18Å; N1415-R1419 WeakPolarHBondContact O-CG 3.47Å; N1415-R1419 PolarHBondContact O-N 3.23Å; S1416-R1419 PolarHBondContact O-N 3.36Å; R1419-L1421 PolarHBondContact O-N 3.46Å; R1419-A1422 PolarHBondContact O-N 3.14Å; R1419-L1423 PolarHBondContact O-N 2.9Å
1420	H	47.3	Very low	44.8	Very low	89 Å²	89	95.3 Å²	95.3	41%	0.412	48%	0.483	S	S	.	.	H	α-helix	trans	-67.6	-33.6	-178.9	-157.3	-53.9	0	0	0	113.7	H749 S1416 F1418 E1424	H749-H1420 AromaticContact CE1-CD2 3.4Å; H749-H1420 PolarHBondContact CE1-CD2 3.23Å; H749-H1420 VanDerWaalsContact CE1-CD2 3.4Å; H749-H1420 AromaticContact CE1-NE2 3.31Å; H749-H1420 PolarHBondContact CE1-NE2 2.65Å; H749-H1420 VanDerWaalsContact CE1-NE2 3.31Å; H749-H1420 AromaticContact ND1-CD2 3.77Å; H749-H1420 AromaticContact ND1-NE2 3.52Å; S1416-H1420 PolarHBondContact O-N 2.94Å; F1418-H1420 VanDerWaalsContact C-N 3.33Å; F1418-H1420 PolarHBondContact O-N 3.05Å; H1420-E1424 WeakPolarHBondContact O-CG 3.48Å; H1420-E1424 PolarHBondContact O-N 3.22Å; H1420-E1424 VanDerWaalsContact O-N 3.16Å
1421	L	44.6	Very low	44.8	Very low	71 Å²	71	97.2 Å²	97.2	37%	0.372	50%	0.499	S	S	.	.	H	α-helix	trans	-76.2	-35.1	178.7	-156.7	84.9	0	0	0	112.2	F1418 R1419 L1423 E1424 M1425	F1418-L1421 PolarHBondContact O-N 3.03Å; R1419-L1421 PolarHBondContact O-N 3.46Å; L1421-L1423 VanDerWaalsContact C-N 3.29Å; L1421-L1423 PolarHBondContact O-N 3.14Å; L1421-E1424 PolarHBondContact O-N 2.95Å; L1421-M1425 HydrophobicContact CD2-SD 4.23Å; L1421-M1425 WeakPolarHBondContact O-CG 3.11Å; L1421-M1425 PolarHBondContact O-N 2.8Å
1422	A	51.3	Low	45	Very low	54 Å²	54	98.2 Å²	98.2	45%	0.446	53%	0.525	S	S	.	.	H	α-helix	trans	-62.7	-37.9	175.3	0	0	0	0	0	111.7	F1418 R1419 K1426	F1418-A1422 PolarHBondContact O-N 3.45Å; R1419-A1422 PolarHBondContact O-N 3.14Å; A1422-K1426 VanDerWaalsContact O-CB 3.29Å; A1422-K1426 WeakPolarHBondContact O-CB 3.33Å; A1422-K1426 PolarHBondContact O-N 3.4Å
1423	L	55.1	Low	45.5	Very low	91 Å²	91	97.7 Å²	97.7	48%	0.476	52%	0.522	S	S	.	.	H	α-helix	trans	-67.2	-44.2	173	-78.6	168.5	0	0	0	112.7	C1317 R1419 L1421 K1426 K1427	C1317-L1423 VanDerWaalsContact SG-CD1 3.55Å; R1419-L1423 PolarHBondContact O-N 2.9Å; L1421-L1423 VanDerWaalsContact C-N 3.29Å; L1421-L1423 PolarHBondContact O-N 3.14Å; L1423-K1426 PolarHBondContact O-N 3.42Å; L1423-K1427 WeakPolarHBondContact O-CG 3.35Å; L1423-K1427 PolarHBondContact O-N 3.12Å
1424	E	54.5	Low	45.9	Very low	85 Å²	85	95.4 Å²	95.4	40%	0.397	52%	0.517	S	S	.	.	H	α-helix	trans	-64.7	-43.4	178.3	-72.7	-67.8	109.1	0	0	112.3	H1420 L1421 K1426 K1427 A1428	H1420-E1424 WeakPolarHBondContact O-CG 3.48Å; H1420-E1424 PolarHBondContact O-N 3.22Å; H1420-E1424 VanDerWaalsContact O-N 3.16Å; L1421-E1424 PolarHBondContact O-N 2.95Å; E1424-K1426 VanDerWaalsContact C-N 3.31Å; E1424-K1426 PolarHBondContact O-N 2.88Å; E1424-K1427 PolarHBondContact O-N 2.88Å; E1424-K1427 IonicContact OE1-NZ 3.19Å; E1424-K1427 PolarHBondContact OE1-NZ 3.37Å; E1424-A1428 PolarHBondContact O-N 3.13Å
1425	M	46.5	Very low	46.3	Very low	127 Å²	127	95.7 Å²	95.7	63%	0.626	52%	0.519	S	S	*	.	H	α-helix	trans	-64.3	-36.3	174.3	-69	-171.9	73.7	0	0	112.1	L1421 A1428 Q1429	L1421-M1425 HydrophobicContact CD2-SD 4.23Å; L1421-M1425 WeakPolarHBondContact O-CG 3.11Å; L1421-M1425 PolarHBondContact O-N 2.8Å; M1425-A1428 PolarHBondContact O-N 3.03Å; M1425-Q1429 PolarHBondContact O-N 3.2Å
1426	K	53	Low	46.8	Very low	139 Å²	139	98.9 Å²	98.9	60%	0.604	54%	0.537	S	S	*	.	H	α-helix	trans	-72.1	-27.8	176.8	-161.1	174.4	-173.5	-175.2	0	113.1	A1422 L1423 E1424 I1430	A1422-K1426 VanDerWaalsContact O-CB 3.29Å; A1422-K1426 WeakPolarHBondContact O-CB 3.33Å; A1422-K1426 PolarHBondContact O-N 3.4Å; L1423-K1426 PolarHBondContact O-N 3.42Å; E1424-K1426 VanDerWaalsContact C-N 3.31Å; E1424-K1426 PolarHBondContact O-N 2.88Å; K1426-I1430 HydrophobicContact CG-CD1 4.38Å; K1426-I1430 VanDerWaalsContact O-CD1 3.32Å; K1426-I1430 WeakPolarHBondContact O-CD1 3.28Å; K1426-I1430 VanDerWaalsContact O-CG1 3.27Å; K1426-I1430 WeakPolarHBondContact O-CG1 3.47Å; K1426-I1430 PolarHBondContact O-N 3.5Å
1427	K	54.7	Low	47.2	Very low	132 Å²	132	100.8 Å²	100.8	57%	0.574	54%	0.54	S	S	*	.	H	α-helix	trans	-68.8	-46.7	167.6	-74.2	177.3	-175.6	167.7	0	111.4	L1423 E1424 Q1429 I1430 S1431	L1423-K1427 WeakPolarHBondContact O-CG 3.35Å; L1423-K1427 PolarHBondContact O-N 3.12Å; E1424-K1427 PolarHBondContact O-N 2.88Å; E1424-K1427 IonicContact OE1-NZ 3.19Å; E1424-K1427 PolarHBondContact OE1-NZ 3.37Å; K1427-Q1429 PolarHBondContact O-N 2.73Å; K1427-I1430 CarbonylContact O-C 3.42Å; K1427-I1430 WeakPolarHBondContact O-CA 3.41Å; K1427-I1430 PolarHBondContact O-N 3.29Å; K1427-S1431 PolarHBondContact O-N 3.37Å; K1427-S1431 PolarHBondContact O-OG 3.28Å
1428	A	44.6	Very low	47.6	Very low	55 Å²	55	103.3 Å²	103.3	46%	0.455	55%	0.547	S	S	.	.	H	α-helix	trans	-59.5	-34.1	178.9	0	0	0	0	0	112.4	E1424 M1425 I1430 S1431 S1432	E1424-A1428 PolarHBondContact O-N 3.13Å; M1425-A1428 PolarHBondContact O-N 3.03Å; A1428-I1430 VanDerWaalsContact C-N 3.28Å; A1428-I1430 PolarHBondContact O-N 3.28Å; A1428-S1431 PolarHBondContact O-OG 2.74Å; A1428-S1432 WeakPolarHBondContact O-CB 3.45Å; A1428-S1432 PolarHBondContact O-OG 2.67Å; A1428-S1432 VanDerWaalsContact O-OG 3.14Å
1429	Q	42.4	Very low	48.1	Very low	151 Å²	151	102.9 Å²	102.9	71%	0.706	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-1.7	172.4	-105	-174.2	-36.9	0	0	115.5	M1425 K1427	M1425-Q1429 PolarHBondContact O-N 3.2Å; K1427-Q1429 PolarHBondContact O-N 2.73Å
1430	I	55.6	Low	48.3	Very low	134 Å²	134	105.7 Å²	105.7	69%	0.687	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.4	-12.3	175.2	-69.4	170.4	0	0	0	110.6	K1426 K1427 A1428	K1426-I1430 HydrophobicContact CG-CD1 4.38Å; K1426-I1430 VanDerWaalsContact O-CD1 3.32Å; K1426-I1430 WeakPolarHBondContact O-CD1 3.28Å; K1426-I1430 VanDerWaalsContact O-CG1 3.27Å; K1426-I1430 WeakPolarHBondContact O-CG1 3.47Å; K1426-I1430 PolarHBondContact O-N 3.5Å; K1427-I1430 CarbonylContact O-C 3.42Å; K1427-I1430 WeakPolarHBondContact O-CA 3.41Å; K1427-I1430 PolarHBondContact O-N 3.29Å; A1428-I1430 VanDerWaalsContact C-N 3.28Å; A1428-I1430 PolarHBondContact O-N 3.28Å
1431	S	40	Very low	48.4	Very low	103 Å²	103	107.1 Å²	107.1	72%	0.72	59%	0.589	S	S	*	*			trans	-106.2	22.6	171.9	68.4	0	0	0	0	113	K1427 A1428	K1427-S1431 PolarHBondContact O-N 3.37Å; K1427-S1431 PolarHBondContact O-OG 3.28Å; A1428-S1431 PolarHBondContact O-OG 2.74Å
1432	S	38.5	Very low	48.7	Very low	143 Å²	143	110.4 Å²	110.4	100%	1	61%	0.608	S	S	*	*			trans	-140.6	0	-179.5	70.1	0	0	0	0	110.8	A1428	A1428-S1432 WeakPolarHBondContact O-CB 3.45Å; A1428-S1432 PolarHBondContact O-OG 2.67Å; A1428-S1432 VanDerWaalsContact O-OG 3.14Å

Retrieved 1,432 of 1,432 residues in 1025.7 ms (Link to these results)

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