A0A5K4FBU5_SCHMA Loading...

P-type phospholipid transporter

AlphaFold DB , UniProt , Accession A0A5K4FBU5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,321 aa.

						>A0A5K4FBU5_SCHMA|A0A5K4FBU5
MKCKIFHRTQSTTHNHHHLSKRQVYAHNYINLNGDKFPYHYCHNRICSTHYKWYNFIIKNLYEQFHNIANLYFLLIIVTYYFVDHVGSVTVTIMPLVILISITMIKDGIDDLLRYHSDKQLNSMKYLLLNIDFDRKSIKWIYKKASLLNVGDIICCFNNQSFPCDLLLLYSSHFNGYVYINTMNLDGENNIKKYNTLKQYQSSYANYIMTTTNNTTYKNNNSSIGDDDYNEKQFNELDFQSMIEHLYLQVICEQPNENLTSFQGYYKTAQHLNVAPVAPDEDGSHDGDETCFPLTYKNLVLRGSKLISTDYIIGLVIYTGKDTKLSLNSSKNLKRKYSTRENLSNIILLIFMVAMVTITLLITILSTIWIKNNTKKIWYIDFELLTIWQFIRTIIRFLFIINYLIPISIIVTIEFQQLLLSHFISNDIHMYNPIENISSHANNSQLADELGQIKFLFCDKTGTLTQNFMVLYSCCLLNKEEVYLCDTYTTYNTTTDNHTTYNTTTDNPTTYNTTTDNHTIYNDHSNNDSNRINLLSKENSYIKYLKLPDMNKDFREFLTIITLCHTVELKNYNKLNDTTEMDHHNGNSNIQQSSMNNYEPCRYYEYEATSSDEKALVEGASKLGVVFSGKEPDLNETGSNRLYIDYWSYSSTTTTTKKESNNEKFLNRQCYIVDAVLEFDPIRKRMSVMVRYPDGTYYVLSKGAESTILDPEKCSTTSKYQRSRAIHYVNEYALNGLRTLVFAKRQLTQSIYMKLLKNLKLASNLLNDERIHALKQCYNDIEYDMEPIYVTAIEDKLQPGVKNCIKALKEAGIQIWILTGDKAETAITICQSIEHFTSNMSLIKIMNCLTLQSTAYKIYEQLDTLQLYKDYHKQKDNHHHNSSSYTIPRIKTINYGRSSSMSRSSSMLKSSSMSRSSSMLKSSSSYMNGMYNNNNNSNDDTYYYCGNSKSNFFLFNRKHCLLNRYIRYKHKKHPGIANESIGLVIDGKSLQYALHTSLRDSFLELCMSVTTVLCCRMTPLQKASIVKLVQIGLAKHSRLSMKPVIAAVGDGGNDVAMILQANIGVGVYGKEGREAVRAADYSVTEFRHIKRLFLLHGHWSYYRITITMLFFYHKAVAFVCNQLCVIYNNGYSEIPSFGTILFICYNLTMTFLVSLGYGMFERHIEEKILLNKPYLYKAISYQANLKAWYIFLWVIDGIWHGFITYFIPYYCLAGGNLYAEAIFYQINHHNTNGNYDFTMIGNASFVYLWISVTIRSTIWTKDFNLMLILCHIGTTLNLVILFVFQDLRPGYPEDVSSSALSYDLLEANDSVKCFTDRIPTS
					

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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	37.5	Very low	30.6	Very low	241 Å²	241	171.3 Å²	171.3	100%	1.187	84%	0.836	S	S	*	*				0	117.7	0	-59.6	159.7	178.1	0	0	107.6
2	K	27.8	Very low	30.5	Very low	203 Å²	203	167.9 Å²	167.9	88%	0.883	83%	0.833	S	S	*	*			cis	51.2	127.8	9.7	-76.4	-171.4	176.7	-179.4	0	115.8
3	C	27.7	Very low	30.5	Very low	113 Å²	113	162.5 Å²	162.5	76%	0.764	82%	0.815	S	S	*	*			trans	91.9	114.1	168.6	-61.1	0	0	0	0	119.9
4	K	30.4	Very low	30.4	Very low	201 Å²	201	163.3 Å²	163.3	87%	0.874	81%	0.814	S	S	*	*			trans	68.4	64.2	131.3	-59.4	-179.7	177.7	-177.4	0	120.2
5	I	32	Very low	30.2	Very low	155 Å²	155	162.1 Å²	162.1	80%	0.795	81%	0.812	S	S	*	*	S	Bend	trans	-137.1	134.9	145.5	-55	-179.1	0	0	0	108.1
6	F	31	Very low	30.4	Very low	194 Å²	194	160.8 Å²	160.8	85%	0.851	80%	0.802	S	S	*	*			trans	93.4	41.4	-169.5	-70.4	-78.9	0	0	0	118.3
7	H	29.8	Very low	30.5	Very low	165 Å²	165	162.6 Å²	162.6	76%	0.764	81%	0.807	S	S	*	*			trans	-118.6	81.3	146.2	-106	-80.9	0	0	0	109.2	Q10	H7-Q10 PolarHBondContact CE1-OE1 3.41Å; H7-Q10 VanDerWaalsContact CE1-OE1 3.3Å; H7-Q10 PolarHBondContact ND1-OE1 3.06Å
8	R	30.6	Very low	30.9	Very low	230 Å²	230	161.8 Å²	161.8	87%	0.868	80%	0.8	S	S	*	*			trans	-172.2	81.1	171.5	-139.6	178.5	-173.3	-177.2	2.6	104.1
9	T	30.3	Very low	32	Very low	132 Å²	132	159.4 Å²	159.4	81%	0.81	79%	0.79	S	S	*	*				-144.5	109.6	72.6	42.8	0	0	0	0	113
10	Q	29.7	Very low	33.5	Very low	149 Å²	149	156.1 Å²	156.1	70%	0.696	78%	0.783	S	S	*	*			trans	-128.4	88.5	159.6	-87.6	-178.1	-40.2	0	0	107.4	H7	H7-Q10 PolarHBondContact CE1-OE1 3.41Å; H7-Q10 VanDerWaalsContact CE1-OE1 3.3Å; H7-Q10 PolarHBondContact ND1-OE1 3.06Å
11	S	29.7	Very low	35.5	Very low	101 Å²	101	153.7 Å²	153.7	71%	0.706	77%	0.768	S	S	*	*			trans	-160.1	42.1	174	64.4	0	0	0	0	111.9
12	T	29.5	Very low	37.8	Very low	131 Å²	131	142.5 Å²	142.5	80%	0.804	71%	0.712	S	S	*	*			trans	-143.9	49.3	163.9	45.1	0	0	0	0	109	H14	T12-H14 VanDerWaalsContact C-N 3.28Å; T12-H14 PolarHBondContact O-N 3.02Å
13	T	30.7	Very low	40.5	Very low	97 Å²	97	135.8 Å²	135.8	60%	0.595	68%	0.684	S	S	*	*			trans	-82.6	67.3	-179.2	47.7	0	0	0	0	112
14	H	28.5	Very low	43.4	Very low	174 Å²	174	130.4 Å²	130.4	81%	0.806	65%	0.648	S	S	*	*	S	Bend	trans	-143.8	143.5	155.4	-80.7	-78.1	0	0	0	107.7	T12	T12-H14 VanDerWaalsContact C-N 3.28Å; T12-H14 PolarHBondContact O-N 3.02Å
15	N	28.2	Very low	46.1	Very low	145 Å²	145	121.6 Å²	121.6	78%	0.775	61%	0.609	S	S	*	*			trans	80.6	35.5	178.2	-53.2	-11.1	0	0	0	118.9	H17	N15-H17 VanDerWaalsContact C-N 3.26Å; N15-H17 PolarHBondContact O-N 3Å
16	H	33.1	Very low	48.6	Very low	141 Å²	141	114.3 Å²	114.3	65%	0.653	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-72	-2.4	176.1	-97.4	-53.6	0	0	0	116.8	L19	H16-L19 WeakPolarHBondContact ND1-CD1 3.18Å; H16-L19 WeakPolarHBondContact O-CD1 3.39Å
17	H	32.9	Very low	50.9	Low	193 Å²	193	106.1 Å²	106.1	89%	0.894	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-84.8	-6.5	-176.6	-93.8	-74.7	0	0	0	116.1	N15	N15-H17 VanDerWaalsContact C-N 3.26Å; N15-H17 PolarHBondContact O-N 3Å
18	H	37.7	Very low	53.2	Low	147 Å²	147	99.9 Å²	99.9	68%	0.681	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-92.4	5.4	-177.1	-101.7	-75.5	0	0	0	115.9	S20	H18-S20 VanDerWaalsContact C-N 3.28Å; H18-S20 PolarHBondContact O-N 3.23Å
19	L	50.9	Low	55.4	Low	117 Å²	117	90.4 Å²	90.4	61%	0.613	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-0.2	-162.7	-104.3	96.8	0	0	0	118	H16	H16-L19 WeakPolarHBondContact ND1-CD1 3.18Å; H16-L19 WeakPolarHBondContact O-CD1 3.39Å
20	S	62.1	Low	57.4	Low	92 Å²	92	86.3 Å²	86.3	64%	0.643	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-19.4	-175.3	58	0	0	0	0	115.3	H18	H18-S20 VanDerWaalsContact C-N 3.28Å; H18-S20 PolarHBondContact O-N 3.23Å
21	K	75.1	Confident	59.3	Low	106 Å²	106	81.9 Å²	81.9	46%	0.461	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	153.8	-174.1	-62.2	179.9	178.7	179.7	0	111.6	I251 C252 Q254 Y265	K21-I251 HydrophobicContact CB-CG2 4.12Å; K21-I251 HydrophobicContact CD-CG2 3.8Å; K21-I251 HydrophobicContact CG-CG2 4.46Å; K21-C252 CarbonylContact C-O 3.47Å; K21-C252 WeakPolarHBondContact CA-O 3.46Å; K21-Q254 PolarHBondContact O-NE2 3.49Å; K21-Q254 VanDerWaalsContact O-NE2 3.16Å; K21-Y265 PolarHBondContact NZ-OH 3.03Å
22	R	85.5	Confident	61.1	Low	6 Å²	6	78.1 Å²	78.1	2%	0.023	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	136.4	172	-177.3	-176.4	-175.2	114.9	-13.1	108.7	V24 Y41 V150 I251 C252 I317 D322	R22-V24 HydrophobicContact CG-CG2 4.29Å; R22-Y41 HydrophobicContact CG-CE1 3.86Å; R22-Y41 WeakPolarHBondContact CG-OH 3.37Å; R22-Y41 VanDerWaalsContact CZ-CD1 3.5Å; R22-V150 VanDerWaalsContact NH2-CG2 3.34Å; R22-I251 WeakPolarHBondContact O-CA 3.41Å; R22-C252 PolarHBondContact N-O 3.44Å; R22-C252 PolarHBondContact O-N 2.87Å; R22-I317 PolarHBondContact NE-O 3.36Å; R22-I317 PolarHBondContact NH2-O 2.85Å; R22-D322 IonicContact CZ-OD2 2.77Å; R22-D322 IonicContact NH1-OD2 3.61Å; R22-D322 PolarHBondContact NH1-OD2 3.18Å; R22-D322 IonicContact NH2-OD2 3.6Å; R22-D322 PolarHBondContact NH2-OD2 3.44Å
23	Q	86.1	Confident	62.8	Low	62 Å²	62	78.2 Å²	78.2	29%	0.29	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.1	178	-63.8	-174.7	-6.7	0	0	110	Y25 F37 Y41 V250 I251	Q23-Y25 HydrophobicContact CB-CE2 4.16Å; Q23-Y25 PolarHBondContact OE1-OH 3.36Å; Q23-F37 HydrophobicContact CB-CE1 4.5Å; Q23-F37 HydrophobicContact CB-CZ 4.02Å; Q23-F37 VanDerWaalsContact O-CE1 3.31Å; Q23-F37 WeakPolarHBondContact O-CE1 3.38Å; Q23-Y41 PolarHBondContact O-OH 2.95Å; Q23-V250 WeakPolarHBondContact CA-O 3.32Å; Q23-I251 HydrophobicContact CG-CG1 4.3Å
24	V	87.7	Confident	64.5	Low	1 Å²	1	74.4 Å²	74.4	1%	0.006	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129.4	179.5	-179.8	0	0	0	0	108.7	R22 V150 V250 L315 I317	R22-V24 HydrophobicContact CG-CG2 4.29Å; V24-V150 HydrophobicContact CB-CG1 4.25Å; V24-V150 HydrophobicContact CG1-CG1 3.69Å; V24-V150 HydrophobicContact CG2-CG1 3.57Å; V24-V250 HydrophobicContact CB-CB 4.38Å; V24-V250 PolarHBondContact N-O 3.04Å; V24-V250 PolarHBondContact O-N 3.22Å; V24-L315 HydrophobicContact CG1-CD2 4.36Å; V24-I317 HydrophobicContact CB-CD1 4.2Å; V24-I317 HydrophobicContact CG1-CD1 4.12Å; V24-I317 HydrophobicContact CG2-CD1 4.33Å
25	Y	86.4	Confident	66.5	Low	15 Å²	15	69.7 Å²	69.7	6%	0.059	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	132.8	176.8	-63.4	-102.5	0	0	0	108.6	Q23 H27 N28 Y29 I30 F37 G151 Y247 Q249	Q23-Y25 HydrophobicContact CB-CE2 4.16Å; Q23-Y25 PolarHBondContact OE1-OH 3.36Å; Y25-H27 PolarHBondContact O-N 3.07Å; Y25-N28 PolarHBondContact O-N 3.27Å; Y25-Y29 WeakPolarHBondContact CB-O 3.44Å; Y25-Y29 WeakPolarHBondContact CD1-O 3.24Å; Y25-I30 HydrophobicContact CE1-CG2 4.01Å; Y25-F37 HydrophobicContact CD2-CB 4.15Å; Y25-F37 AromaticContact CD2-CD1 3.98Å; Y25-F37 HydrophobicContact CD2-CD1 3.98Å; Y25-F37 AromaticContact CD2-CD2 3.69Å; Y25-F37 HydrophobicContact CD2-CD2 3.69Å; Y25-F37 HydrophobicContact CD2-CE1 4.25Å; Y25-F37 HydrophobicContact CD2-CE2 4.02Å; Y25-F37 AromaticContact CD2-CG 3.68Å; Y25-F37 HydrophobicContact CD2-CG 3.68Å; Y25-F37 HydrophobicContact CD2-CZ 4.27Å; Y25-F37 HydrophobicContact CE2-CD1 4.27Å; Y25-F37 AromaticContact CE2-CD2 3.43Å; Y25-F37 HydrophobicContact CE2-CD2 3.43Å; Y25-F37 VanDerWaalsContact CE2-CD2 3.43Å; Y25-F37 HydrophobicContact CE2-CE1 4.19Å; Y25-F37 AromaticContact CE2-CE2 3.36Å; Y25-F37 HydrophobicContact CE2-CE2 3.36Å; Y25-F37 AromaticContact CE2-CG 3.92Å; Y25-F37 HydrophobicContact CE2-CG 3.92Å; Y25-F37 AromaticContact CE2-CZ 3.75Å; Y25-F37 HydrophobicContact CE2-CZ 3.75Å; Y25-G151 WeakPolarHBondContact O-CA 3.3Å; Y25-Y247 HydrophobicContact CD1-CE2 4.28Å; Y25-Q249 HydrophobicContact CD1-CB 4.28Å; Y25-Q249 HydrophobicContact CD1-CG 4.08Å; Y25-Q249 HydrophobicContact CE1-CB 4.24Å; Y25-Q249 HydrophobicContact CE1-CG 3.68Å; Y25-Q249 PolarHBondContact OH-NE2 2.73Å
26	A	84.2	Confident	68.6	Low	2 Å²	2	70.1 Å²	70.1	2%	0.017	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-59.2	135.2	174.7	0	0	0	0	0	111.1	N28 Y29 I153 L248 L315	A26-N28 PolarHBondContact O-N 2.63Å; A26-Y29 PolarHBondContact O-N 3.32Å; A26-I153 HydrophobicContact CB-CD1 4.24Å; A26-L248 HydrophobicContact CB-CB 3.92Å; A26-L248 PolarHBondContact N-O 2.89Å; A26-L315 HydrophobicContact CB-CD1 4.19Å
27	H	81.2	Confident	70.5	Confident	22 Å²	22	64.6 Å²	64.6	10%	0.102	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	58.4	12.1	-173.5	-45.4	95.2	0	0	0	114.9	Y25 Y29 I131 G151 I153	Y25-H27 PolarHBondContact O-N 3.07Å; H27-Y29 HydrophobicContact CB-CD2 3.55Å; H27-Y29 HydrophobicContact CB-CE2 3.52Å; H27-Y29 WeakPolarHBondContact O-CD2 3.25Å; H27-Y29 VanDerWaalsContact O-CE2 3.28Å; H27-Y29 WeakPolarHBondContact O-CE2 3.35Å; H27-I131 HydrophobicContact CB-CD1 4.42Å; H27-G151 WeakPolarHBondContact CA-O 3.38Å; H27-G151 PolarHBondContact N-O 2.75Å; H27-I153 WeakPolarHBondContact CE1-CD1 3.37Å
28	N	77.1	Confident	72.1	Confident	35 Å²	35	60.3 Å²	60.3	19%	0.187	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	66.6	17.9	-175.9	-68.8	-64	0	0	0	116.8	Y25 A26 K36 F37 V150	Y25-N28 PolarHBondContact O-N 3.27Å; A26-N28 PolarHBondContact O-N 2.63Å; N28-K36 CarbonylContact O-C 3.53Å; N28-K36 WeakPolarHBondContact O-CA 3.36Å; N28-F37 PolarHBondContact O-N 3.36Å; N28-V150 PolarHBondContact ND2-O 3.46Å; N28-V150 PolarHBondContact OD1-O 3.1Å
29	Y	77.2	Confident	73.6	Confident	30 Å²	30	60.3 Å²	60.3	12%	0.118	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-96.7	126.5	179.1	-56.5	-64.3	0	0	0	112.9	Y25 A26 H27 G34 D35 K36 F133	Y25-Y29 WeakPolarHBondContact CB-O 3.44Å; Y25-Y29 WeakPolarHBondContact CD1-O 3.24Å; A26-Y29 PolarHBondContact O-N 3.32Å; H27-Y29 HydrophobicContact CB-CD2 3.55Å; H27-Y29 HydrophobicContact CB-CE2 3.52Å; H27-Y29 WeakPolarHBondContact O-CD2 3.25Å; H27-Y29 VanDerWaalsContact O-CE2 3.28Å; H27-Y29 WeakPolarHBondContact O-CE2 3.35Å; Y29-G34 VanDerWaalsContact CD1-C 3.47Å; Y29-G34 VanDerWaalsContact CD1-O 3.22Å; Y29-G34 WeakPolarHBondContact CD1-O 3.41Å; Y29-G34 WeakPolarHBondContact CE1-O 3.34Å; Y29-D35 CarbonylContact C-O 3.46Å; Y29-D35 VanDerWaalsContact CA-O 3.3Å; Y29-D35 WeakPolarHBondContact CA-O 3.34Å; Y29-K36 HydrophobicContact CD1-CG 4.18Å; Y29-K36 HydrophobicContact CE1-CG 4.02Å; Y29-F133 HydrophobicContact CD1-CE2 4.35Å; Y29-F133 HydrophobicContact CD1-CZ 4.37Å; Y29-F133 AromaticContact CD2-CE2 3.72Å; Y29-F133 HydrophobicContact CD2-CE2 3.72Å; Y29-F133 AromaticContact CD2-CZ 3.89Å; Y29-F133 HydrophobicContact CD2-CZ 3.89Å; Y29-F133 HydrophobicContact CE1-CD2 4.2Å; Y29-F133 AromaticContact CE1-CE2 3.87Å; Y29-F133 HydrophobicContact CE1-CE2 3.87Å; Y29-F133 HydrophobicContact CE1-CZ 4.31Å; Y29-F133 HydrophobicContact CE2-CD2 4.08Å; Y29-F133 AromaticContact CE2-CE2 3.24Å; Y29-F133 HydrophobicContact CE2-CE2 3.24Å; Y29-F133 AromaticContact CE2-CZ 3.91Å; Y29-F133 HydrophobicContact CE2-CZ 3.91Å; Y29-F133 HydrophobicContact CG-CE2 4.27Å; Y29-F133 HydrophobicContact CG-CZ 4.15Å; Y29-F133 AromaticContact CZ-CD2 3.69Å; Y29-F133 AromaticContact CZ-CE2 3.3Å; Y29-F133 WeakPolarHBondContact OH-CD2 3.44Å
30	I	72.3	Confident	74.6	Confident	47 Å²	47	64 Å²	64	24%	0.241	32%	0.322	C	S	.	.	S	Bend	trans	-76	-41.6	176.4	-41.9	178.9	0	0	0	110.7	Y25 D35 F37 Y247	Y25-I30 HydrophobicContact CE1-CG2 4.01Å; I30-D35 PolarHBondContact N-O 3.41Å; I30-F37 HydrophobicContact CD1-CD2 4.08Å; I30-F37 HydrophobicContact CG1-CB 3.98Å; I30-F37 HydrophobicContact CG1-CD2 3.97Å; I30-F37 HydrophobicContact CG1-CG 4.48Å; I30-Y247 WeakPolarHBondContact O-CE2 3.2Å; I30-Y247 PolarHBondContact O-OH 3.29Å; I30-Y247 VanDerWaalsContact O-OH 3.14Å
31	N	68.7	Low	75.7	Confident	56 Å²	56	62 Å²	62	30%	0.299	30%	0.301	S	S	.	.	S	Bend	trans	-123.5	157.5	-173.5	-61.3	-27.3	0	0	0	109.3	N33 G34 D35	N31-N33 HydrophobicContact CB-CB 4.46Å; N31-N33 PolarHBondContact O-N 3.43Å; N31-N33 VanDerWaalsContact O-N 3.07Å; N31-G34 PolarHBondContact O-N 3.07Å; N31-G34 VanDerWaalsContact O-N 3.16Å; N31-D35 HydrophobicContact CB-CB 4.29Å; N31-D35 PolarHBondContact ND2-OD2 3.38Å
32	L	68.6	Low	76.3	Confident	22 Å²	22	59 Å²	59	12%	0.115	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.9	173.3	-59.7	171.8	0	0	0	112.7	G34 I243 E244 Y247 L272	L32-G34 PolarHBondContact O-N 2.9Å; L32-I243 HydrophobicContact CD2-CG2 3.8Å; L32-E244 HydrophobicContact CD1-CG 3.78Å; L32-E244 HydrophobicContact CD2-CG 3.9Å; L32-Y247 HydrophobicContact CD2-CG 4.44Å; L32-L272 HydrophobicContact CG-CD1 4.23Å
33	N	64.8	Low	76.4	Confident	132 Å²	132	65.3 Å²	65.3	71%	0.706	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-2.1	178.5	-59.8	-7.5	0	0	0	114.6	N31	N31-N33 HydrophobicContact CB-CB 4.46Å; N31-N33 PolarHBondContact O-N 3.43Å; N31-N33 VanDerWaalsContact O-N 3.07Å
34	G	66.4	Low	76.7	Confident	17 Å²	17	62.5 Å²	62.5	18%	0.175	31%	0.309	C	S	.	.			trans	87.1	10.8	179.9	0	0	0	0	0	115.4	Y29 N31 L32 K36	Y29-G34 VanDerWaalsContact CD1-C 3.47Å; Y29-G34 VanDerWaalsContact CD1-O 3.22Å; Y29-G34 WeakPolarHBondContact CD1-O 3.41Å; Y29-G34 WeakPolarHBondContact CE1-O 3.34Å; N31-G34 PolarHBondContact O-N 3.07Å; N31-G34 VanDerWaalsContact O-N 3.16Å; L32-G34 PolarHBondContact O-N 2.9Å; G34-K36 PolarHBondContact O-N 2.85Å
35	D	70.2	Confident	76.7	Confident	75 Å²	75	69.9 Å²	69.9	40%	0.401	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-61.2	123.1	174.4	-67.2	-48.2	0	0	0	111.1	Y29 I30 N31	Y29-D35 CarbonylContact C-O 3.46Å; Y29-D35 VanDerWaalsContact CA-O 3.3Å; Y29-D35 WeakPolarHBondContact CA-O 3.34Å; I30-D35 PolarHBondContact N-O 3.41Å; N31-D35 HydrophobicContact CB-CB 4.29Å; N31-D35 PolarHBondContact ND2-OD2 3.38Å
36	K	72.2	Confident	76.6	Confident	154 Å²	154	70.6 Å²	70.6	67%	0.67	34%	0.341	S	S	*	.	B	Isolated β-bridge	trans	-84.8	138.2	-176.1	-68.9	178.5	-178	169.3	0	112.6	N28 Y29 G34	N28-K36 CarbonylContact O-C 3.53Å; N28-K36 WeakPolarHBondContact O-CA 3.36Å; Y29-K36 HydrophobicContact CD1-CG 4.18Å; Y29-K36 HydrophobicContact CE1-CG 4.02Å; G34-K36 PolarHBondContact O-N 2.85Å
37	F	73.3	Confident	76.3	Confident	26 Å²	26	74.6 Å²	74.6	11%	0.114	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-65.5	122.2	179.5	-169.7	-124.7	0	0	0	111.8	Q23 Y25 N28 I30 Y39 Y41	Q23-F37 HydrophobicContact CB-CE1 4.5Å; Q23-F37 HydrophobicContact CB-CZ 4.02Å; Q23-F37 VanDerWaalsContact O-CE1 3.31Å; Q23-F37 WeakPolarHBondContact O-CE1 3.38Å; Y25-F37 HydrophobicContact CD2-CB 4.15Å; Y25-F37 AromaticContact CD2-CD1 3.98Å; Y25-F37 HydrophobicContact CD2-CD1 3.98Å; Y25-F37 AromaticContact CD2-CD2 3.69Å; Y25-F37 HydrophobicContact CD2-CD2 3.69Å; Y25-F37 HydrophobicContact CD2-CE1 4.25Å; Y25-F37 HydrophobicContact CD2-CE2 4.02Å; Y25-F37 AromaticContact CD2-CG 3.68Å; Y25-F37 HydrophobicContact CD2-CG 3.68Å; Y25-F37 HydrophobicContact CD2-CZ 4.27Å; Y25-F37 HydrophobicContact CE2-CD1 4.27Å; Y25-F37 AromaticContact CE2-CD2 3.43Å; Y25-F37 HydrophobicContact CE2-CD2 3.43Å; Y25-F37 VanDerWaalsContact CE2-CD2 3.43Å; Y25-F37 HydrophobicContact CE2-CE1 4.19Å; Y25-F37 AromaticContact CE2-CE2 3.36Å; Y25-F37 HydrophobicContact CE2-CE2 3.36Å; Y25-F37 AromaticContact CE2-CG 3.92Å; Y25-F37 HydrophobicContact CE2-CG 3.92Å; Y25-F37 AromaticContact CE2-CZ 3.75Å; Y25-F37 HydrophobicContact CE2-CZ 3.75Å; N28-F37 PolarHBondContact O-N 3.36Å; I30-F37 HydrophobicContact CD1-CD2 4.08Å; I30-F37 HydrophobicContact CG1-CB 3.98Å; I30-F37 HydrophobicContact CG1-CD2 3.97Å; I30-F37 HydrophobicContact CG1-CG 4.48Å; F37-Y39 HydrophobicContact CD1-CD2 4.14Å; F37-Y39 HydrophobicContact CD1-CG 4.45Å; F37-Y39 HydrophobicContact CD2-CD2 4.37Å; F37-Y39 AromaticContact CE1-CD2 3.46Å; F37-Y39 HydrophobicContact CE1-CD2 3.46Å; F37-Y39 VanDerWaalsContact CE1-CD2 3.46Å; F37-Y39 HydrophobicContact CE1-CE2 4.4Å; F37-Y39 AromaticContact CE1-CG 3.79Å; F37-Y39 HydrophobicContact CE1-CG 3.79Å; F37-Y39 AromaticContact CE2-CD2 3.71Å; F37-Y39 HydrophobicContact CE2-CD2 3.71Å; F37-Y39 HydrophobicContact CE2-CE2 4.11Å; F37-Y39 AromaticContact CZ-CD2 3.21Å; F37-Y39 HydrophobicContact CZ-CD2 3.21Å; F37-Y39 AromaticContact CZ-CE2 3.74Å; F37-Y39 HydrophobicContact CZ-CE2 3.74Å; F37-Y39 AromaticContact CZ-CG 3.98Å; F37-Y39 HydrophobicContact CZ-CG 3.98Å; F37-Y39 PolarHBondContact O-N 3.46Å; F37-Y41 HydrophobicContact CD1-CE2 4.45Å; F37-Y41 HydrophobicContact CE1-CE2 4.23Å
38	P	66.6	Low	76	Confident	102 Å²	102	75.9 Å²	75.9	66%	0.662	38%	0.38	S	S	*	.			trans	-78.2	12.9	-167.5	31.2	-38.6	0	0	0	115.5
39	Y	68.1	Low	76.1	Confident	148 Å²	148	75.7 Å²	75.7	58%	0.58	38%	0.38	S	S	*	.			trans	-94.5	118.5	-177.8	-82	-94.4	0	0	0	113	F37 Y41	F37-Y39 HydrophobicContact CD1-CD2 4.14Å; F37-Y39 HydrophobicContact CD1-CG 4.45Å; F37-Y39 HydrophobicContact CD2-CD2 4.37Å; F37-Y39 AromaticContact CE1-CD2 3.46Å; F37-Y39 HydrophobicContact CE1-CD2 3.46Å; F37-Y39 VanDerWaalsContact CE1-CD2 3.46Å; F37-Y39 HydrophobicContact CE1-CE2 4.4Å; F37-Y39 AromaticContact CE1-CG 3.79Å; F37-Y39 HydrophobicContact CE1-CG 3.79Å; F37-Y39 AromaticContact CE2-CD2 3.71Å; F37-Y39 HydrophobicContact CE2-CD2 3.71Å; F37-Y39 HydrophobicContact CE2-CE2 4.11Å; F37-Y39 AromaticContact CZ-CD2 3.21Å; F37-Y39 HydrophobicContact CZ-CD2 3.21Å; F37-Y39 AromaticContact CZ-CE2 3.74Å; F37-Y39 HydrophobicContact CZ-CE2 3.74Å; F37-Y39 AromaticContact CZ-CG 3.98Å; F37-Y39 HydrophobicContact CZ-CG 3.98Å; F37-Y39 PolarHBondContact O-N 3.46Å; Y39-Y41 PolarHBondContact O-N 2.94Å
40	H	72.8	Confident	76	Confident	193 Å²	193	77.9 Å²	77.9	89%	0.894	39%	0.391	S	S	*	.			trans	-81.7	98.9	169.5	-74.1	-57.4	0	0	0	111.9
41	Y	86.3	Confident	76.5	Confident	52 Å²	52	76.4 Å²	76.4	20%	0.204	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-75.2	165	166.1	-66.3	-66.3	0	0	0	112.3	R22 Q23 F37 Y39 V150	R22-Y41 HydrophobicContact CG-CE1 3.86Å; R22-Y41 WeakPolarHBondContact CG-OH 3.37Å; R22-Y41 VanDerWaalsContact CZ-CD1 3.5Å; Q23-Y41 PolarHBondContact O-OH 2.95Å; F37-Y41 HydrophobicContact CD1-CE2 4.45Å; F37-Y41 HydrophobicContact CE1-CE2 4.23Å; Y39-Y41 PolarHBondContact O-N 2.94Å; Y41-V150 HydrophobicContact CD2-CB 3.57Å; Y41-V150 HydrophobicContact CD2-CG1 3.62Å; Y41-V150 HydrophobicContact CD2-CG2 3.9Å; Y41-V150 HydrophobicContact CE2-CB 4.27Å; Y41-V150 HydrophobicContact CE2-CG1 3.8Å; Y41-V150 HydrophobicContact CG-CB 3.98Å; Y41-V150 HydrophobicContact CG-CG1 4.22Å; Y41-V150 HydrophobicContact CG-CG2 3.75Å
42	C	86.1	Confident	77.3	Confident	43 Å²	43	79.5 Å²	79.5	29%	0.291	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-71.6	141.6	-178.3	74.5	0	0	0	0	112.3	T319 D322	C42-T319 WeakPolarHBondContact O-CB 3.38Å; C42-T319 PolarHBondContact O-OG1 3.01Å; C42-T319 PolarHBondContact SG-O 3.4Å; C42-D322 PolarHBondContact SG-OD1 2.89Å
43	H	88.9	Confident	78.1	Confident	138 Å²	138	89.6 Å²	89.6	64%	0.639	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-64.8	147.5	179.4	-59	-58.5	0	0	0	112.3	R45 G320	H43-R45 PolarHBondContact O-N 3.35Å; H43-G320 WeakPolarHBondContact O-CA 3.39Å
44	N	91.7	Very high	79.2	Confident	2 Å²	2	89.9 Å²	89.9	1%	0.011	42%	0.422	C	S	.	.			trans	-74.4	21.7	178.5	-159.7	44.7	0	0	0	115	A145 L148 P163 T319 G320	N44-A145 WeakPolarHBondContact CB-O 3.38Å; N44-A145 PolarHBondContact ND2-O 2.64Å; N44-L148 HydrophobicContact CB-CB 4.36Å; N44-L148 VanDerWaalsContact CB-O 3.31Å; N44-L148 WeakPolarHBondContact CB-O 3.43Å; N44-P163 PolarHBondContact ND2-O 3.38Å; N44-P163 PolarHBondContact OD1-O 3.41Å; N44-T319 HydrophobicContact CB-CG2 4.06Å; N44-G320 PolarHBondContact OD1-N 2.98Å
45	R	88.4	Confident	80.3	Confident	156 Å²	156	92 Å²	92	59%	0.589	43%	0.429	S	S	*	.			trans	-79.7	124.2	178.2	-176.6	178.2	174.1	177	0.1	111.3	H43 N122	H43-R45 PolarHBondContact O-N 3.35Å; R45-N122 WeakPolarHBondContact CA-OD1 3.39Å
46	I	82.7	Confident	81.3	Confident	30 Å²	30	90.4 Å²	90.4	15%	0.154	42%	0.419	C	S	.	.			trans	-84.7	136.8	175.6	-49.7	170.5	0	0	0	109	L121 N122 R302	I46-L121 HydrophobicContact CD1-CB 3.87Å; I46-L121 HydrophobicContact CD1-CD1 4.37Å; I46-N122 PolarHBondContact N-OD1 3.35Å; I46-N122 PolarHBondContact O-ND2 3.17Å; I46-R302 VanDerWaalsContact CD1-NH2 3.28Å; I46-R302 VanDerWaalsContact CG1-NH2 3.34Å
47	C	79	Confident	82.1	Confident	86 Å²	86	87.8 Å²	87.8	58%	0.581	41%	0.411	S	S	*	.			trans	-148.9	106	178.3	-169.6	0	0	0	0	109	T49 D118	C47-T49 PolarHBondContact SG-OG1 3.5Å; C47-D118 VanDerWaalsContact CA-OD2 3.29Å; C47-D118 WeakPolarHBondContact CA-OD2 3.37Å
48	S	74	Confident	82.9	Confident	50 Å²	50	92.4 Å²	92.4	35%	0.35	44%	0.436	S	S	.	.			trans	-104.5	-3.9	179.1	63.8	0	0	0	0	113.4	R114 D118	S48-R114 PolarHBondContact O-NH1 2.92Å; S48-D118 WeakPolarHBondContact CB-OD1 3.3Å; S48-D118 PolarHBondContact N-OD1 2.96Å; S48-D118 PolarHBondContact N-OD2 3.39Å; S48-D118 PolarHBondContact OG-OD1 2.79Å; S48-D118 PolarHBondContact OG-OD2 3.03Å
49	T	79.8	Confident	83.9	Confident	31 Å²	31	90.6 Å²	90.6	19%	0.19	42%	0.418	C	S	.	.			trans	-65.2	136.5	174.6	66.8	0	0	0	0	111.6	C47 Y51 D111 R114	C47-T49 PolarHBondContact SG-OG1 3.5Å; T49-Y51 PolarHBondContact OG1-O 3.42Å; T49-D111 WeakPolarHBondContact CA-OD1 3.41Å; T49-D111 WeakPolarHBondContact CB-OD1 3.46Å; T49-D111 WeakPolarHBondContact CB-OD2 3.24Å; T49-R114 HydrophobicContact CG2-CB 4.22Å
50	H	75.9	Confident	84.8	Confident	75 Å²	75	83.5 Å²	83.5	35%	0.347	39%	0.39	S	S	.	.	S	Bend	trans	-76.5	-30.7	173.9	-76.4	-56.5	0	0	0	111.9	K59 D111 R114	H50-K59 PolarHBondContact O-NZ 3.28Å; H50-D111 PolarHBondContact N-OD1 3.47Å; H50-R114 PolarHBondContact CD2-NH1 2.99Å; H50-R114 PolarHBondContact NE2-NH1 3.33Å; H50-R114 PolarHBondContact NE2-NH2 3.48Å
51	Y	82.4	Confident	85.5	Confident	16 Å²	16	76.9 Å²	76.9	6%	0.063	36%	0.361	C	S	.	.			trans	-110.7	168.9	-178.3	-49.2	-74.7	0	0	0	111	T49 F56 K59 N60 D107 D111	T49-Y51 PolarHBondContact OG1-O 3.42Å; Y51-F56 HydrophobicContact CD1-CD2 4.3Å; Y51-F56 AromaticContact CD2-CD2 3.71Å; Y51-F56 HydrophobicContact CD2-CD2 3.71Å; Y51-F56 AromaticContact CD2-CE2 3.97Å; Y51-F56 HydrophobicContact CD2-CE2 3.97Å; Y51-F56 HydrophobicContact CE2-CD2 4.27Å; Y51-F56 HydrophobicContact CE2-CE2 4.16Å; Y51-F56 AromaticContact CG-CD2 3.72Å; Y51-F56 HydrophobicContact CG-CD2 3.72Å; Y51-F56 HydrophobicContact CG-CE2 4.41Å; Y51-K59 HydrophobicContact CD1-CB 4.18Å; Y51-K59 HydrophobicContact CD1-CD 3.93Å; Y51-K59 HydrophobicContact CD1-CG 4.18Å; Y51-K59 HydrophobicContact CE1-CB 4.33Å; Y51-K59 HydrophobicContact CE1-CD 4.17Å; Y51-K59 HydrophobicContact CE1-CG 4.1Å; Y51-N60 HydrophobicContact CE1-CB 4.19Å; Y51-D107 HydrophobicContact CE2-CB 4.37Å; Y51-D111 WeakPolarHBondContact CA-OD2 3.49Å; Y51-D111 VanDerWaalsContact CB-OD2 3.31Å; Y51-D111 WeakPolarHBondContact CB-OD2 3.34Å; Y51-D111 HydrophobicContact CD2-CB 3.95Å; Y51-D111 PolarHBondContact N-OD2 3.12Å; Y51-D111 VanDerWaalsContact N-OD2 3.1Å
52	K	85.6	Confident	85.5	Confident	121 Å²	121	82.7 Å²	82.7	53%	0.526	38%	0.383	S	S	.	.			trans	-119.6	146.9	160	-65.1	-177	-179.9	-174.2	0	105.7	Y54 N55 F56	K52-Y54 HydrophobicContact CB-CD1 4.07Å; K52-Y54 HydrophobicContact CB-CE1 3.83Å; K52-Y54 HydrophobicContact CD-CE1 3.49Å; K52-Y54 VanDerWaalsContact CD-CE1 3.49Å; K52-Y54 VanDerWaalsContact CD-OH 3.26Å; K52-Y54 WeakPolarHBondContact CD-OH 2.99Å; K52-Y54 HydrophobicContact CG-CE1 4.35Å; K52-Y54 PolarHBondContact NZ-OH 3.43Å; K52-Y54 VanDerWaalsContact NZ-OH 3.13Å; K52-Y54 PolarHBondContact O-N 2.94Å; K52-N55 CarbonylContact O-C 3.51Å; K52-N55 PolarHBondContact O-N 3.07Å; K52-F56 PolarHBondContact O-N 2.92Å
53	W	84.3	Confident	85.2	Confident	234 Å²	234	84.6 Å²	84.6	89%	0.886	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-46.3	-43	-175.8	72.1	-94.8	0	0	0	113.5
54	Y	88.6	Confident	84.8	Confident	139 Å²	139	78.9 Å²	78.9	55%	0.545	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-76.9	-22.3	-179.4	67.4	-99.4	0	0	0	115.1	K52	K52-Y54 HydrophobicContact CB-CD1 4.07Å; K52-Y54 HydrophobicContact CB-CE1 3.83Å; K52-Y54 HydrophobicContact CD-CE1 3.49Å; K52-Y54 VanDerWaalsContact CD-CE1 3.49Å; K52-Y54 VanDerWaalsContact CD-OH 3.26Å; K52-Y54 WeakPolarHBondContact CD-OH 2.99Å; K52-Y54 HydrophobicContact CG-CE1 4.35Å; K52-Y54 PolarHBondContact NZ-OH 3.43Å; K52-Y54 VanDerWaalsContact NZ-OH 3.13Å; K52-Y54 PolarHBondContact O-N 2.94Å
55	N	90.4	Very high	84.4	Confident	60 Å²	60	82 Å²	82	32%	0.321	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-105.3	1.4	-179.4	-165	29.1	0	0	0	112.3	K52 K59	K52-N55 CarbonylContact O-C 3.51Å; K52-N55 PolarHBondContact O-N 3.07Å; N55-K59 WeakPolarHBondContact O-CB 3.34Å; N55-K59 PolarHBondContact O-N 3.26Å
56	F	89.7	Confident	83.9	Confident	42 Å²	42	81.7 Å²	81.7	18%	0.184	38%	0.38	C	S	.	.	H	α-helix	trans	-56.9	-55.9	-177.2	173.9	-106.9	0	0	0	111.4	Y51 K52 N60 M104	Y51-F56 HydrophobicContact CD1-CD2 4.3Å; Y51-F56 AromaticContact CD2-CD2 3.71Å; Y51-F56 HydrophobicContact CD2-CD2 3.71Å; Y51-F56 AromaticContact CD2-CE2 3.97Å; Y51-F56 HydrophobicContact CD2-CE2 3.97Å; Y51-F56 HydrophobicContact CE2-CD2 4.27Å; Y51-F56 HydrophobicContact CE2-CE2 4.16Å; Y51-F56 AromaticContact CG-CD2 3.72Å; Y51-F56 HydrophobicContact CG-CD2 3.72Å; Y51-F56 HydrophobicContact CG-CE2 4.41Å; K52-F56 PolarHBondContact O-N 2.92Å; F56-N60 WeakPolarHBondContact O-CB 3.45Å; F56-N60 PolarHBondContact O-N 3.29Å; F56-M104 HydrophobicContact CE1-CE 4.09Å; F56-M104 WeakPolarHBondContact CZ-O 3.44Å
57	I	89.2	Confident	83.5	Confident	99 Å²	99	82.2 Å²	82.2	51%	0.508	38%	0.384	S	S	.	.	H	α-helix	trans	-60.7	-54.1	-176.4	-60.3	175.1	0	0	0	111.4	K59 N60 L61 M104	I57-K59 PolarHBondContact O-N 2.97Å; I57-N60 PolarHBondContact O-N 3.43Å; I57-L61 HydrophobicContact CG2-CD1 3.76Å; I57-L61 HydrophobicContact CG2-CG 4.46Å; I57-L61 WeakPolarHBondContact O-CB 3.47Å; I57-L61 VanDerWaalsContact O-CG 3.27Å; I57-L61 WeakPolarHBondContact O-CG 3.25Å; I57-L61 PolarHBondContact O-N 3.2Å; I57-M104 HydrophobicContact CB-CE 4.23Å; I57-M104 HydrophobicContact CG1-CE 3.95Å; I57-M104 HydrophobicContact CG2-CE 4.09Å
58	I	90	Very high	83.4	Confident	123 Å²	123	81.4 Å²	81.4	63%	0.631	37%	0.373	S	S	*	.	H	α-helix	trans	-63.7	-44.9	-174.7	-60.3	173.8	0	0	0	111.1	Y62	I58-Y62 WeakPolarHBondContact O-CB 3.47Å; I58-Y62 PolarHBondContact O-N 3.34Å; I58-Y62 VanDerWaalsContact O-N 3.08Å
59	K	87.3	Confident	83.5	Confident	64 Å²	64	79 Å²	79	28%	0.278	36%	0.356	S	S	.	.	H	α-helix	trans	-72.2	-40.7	-178.6	-173.8	178.8	158.9	-172.3	0	112	H50 Y51 N55 I57 Y62 E63	H50-K59 PolarHBondContact O-NZ 3.28Å; Y51-K59 HydrophobicContact CD1-CB 4.18Å; Y51-K59 HydrophobicContact CD1-CD 3.93Å; Y51-K59 HydrophobicContact CD1-CG 4.18Å; Y51-K59 HydrophobicContact CE1-CB 4.33Å; Y51-K59 HydrophobicContact CE1-CD 4.17Å; Y51-K59 HydrophobicContact CE1-CG 4.1Å; N55-K59 WeakPolarHBondContact O-CB 3.34Å; N55-K59 PolarHBondContact O-N 3.26Å; I57-K59 PolarHBondContact O-N 2.97Å; K59-Y62 PolarHBondContact O-N 3.17Å; K59-E63 WeakPolarHBondContact CE-OE1 3.29Å; K59-E63 IonicContact NZ-OE1 3.11Å; K59-E63 WeakPolarHBondContact O-CG 3.26Å; K59-E63 PolarHBondContact O-N 3.09Å
60	N	87.7	Confident	83.5	Confident	0 Å²	0	78 Å²	78	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-63.6	-49.4	177.3	-169.6	-50.1	0	0	0	110.7	Y51 F56 I57 Y62 E63 Q64 D107	Y51-N60 HydrophobicContact CE1-CB 4.19Å; F56-N60 WeakPolarHBondContact O-CB 3.45Å; F56-N60 PolarHBondContact O-N 3.29Å; I57-N60 PolarHBondContact O-N 3.43Å; N60-Y62 VanDerWaalsContact C-N 3.3Å; N60-Y62 PolarHBondContact O-N 2.94Å; N60-E63 PolarHBondContact O-N 3.26Å; N60-Q64 WeakPolarHBondContact O-CG 3.46Å; N60-Q64 PolarHBondContact O-N 3.24Å; N60-Q64 WeakPolarHBondContact OD1-CG 3.25Å; N60-Q64 PolarHBondContact OD1-NE2 3.18Å; N60-D107 WeakPolarHBondContact ND2-CB 3.39Å; N60-D107 PolarHBondContact ND2-OD2 3.11Å
61	L	86.9	Confident	83.8	Confident	53 Å²	53	78.4 Å²	78.4	28%	0.277	35%	0.354	S	S	.	.	H	α-helix	trans	-56.3	-43.2	174.9	-71.6	172.6	0	0	0	112.1	I57 E63 Q64 F65 I100 M104	I57-L61 HydrophobicContact CG2-CD1 3.76Å; I57-L61 HydrophobicContact CG2-CG 4.46Å; I57-L61 WeakPolarHBondContact O-CB 3.47Å; I57-L61 VanDerWaalsContact O-CG 3.27Å; I57-L61 WeakPolarHBondContact O-CG 3.25Å; I57-L61 PolarHBondContact O-N 3.2Å; L61-E63 VanDerWaalsContact C-N 3.34Å; L61-E63 PolarHBondContact O-N 3.04Å; L61-Q64 PolarHBondContact O-N 3.42Å; L61-F65 HydrophobicContact CB-CD2 4.49Å; L61-F65 HydrophobicContact CD2-CE2 4.36Å; L61-F65 VanDerWaalsContact O-CD2 3.24Å; L61-F65 WeakPolarHBondContact O-CD2 3.19Å; L61-F65 PolarHBondContact O-N 3.48Å; L61-I100 HydrophobicContact CD2-CG2 3.48Å; L61-I100 VanDerWaalsContact CD2-CG2 3.48Å; L61-M104 HydrophobicContact CD2-SD 3.92Å; L61-M104 HydrophobicContact CG-SD 4.22Å
62	Y	86.4	Confident	83.9	Confident	174 Å²	174	78.5 Å²	78.5	68%	0.682	35%	0.354	S	S	*	.	H	α-helix	trans	-60.3	-41.3	175.4	177.9	-92.4	0	0	0	112.8	I58 K59 N60 H66	I58-Y62 WeakPolarHBondContact O-CB 3.47Å; I58-Y62 PolarHBondContact O-N 3.34Å; I58-Y62 VanDerWaalsContact O-N 3.08Å; K59-Y62 PolarHBondContact O-N 3.17Å; N60-Y62 VanDerWaalsContact C-N 3.3Å; N60-Y62 PolarHBondContact O-N 2.94Å; Y62-H66 PolarHBondContact O-N 3.47Å
63	E	80	Confident	83.6	Confident	83 Å²	83	73.2 Å²	73.2	39%	0.388	33%	0.331	S	S	.	.	H	α-helix	trans	-68.1	-37.7	175.9	-71.8	-179.2	-154.2	0	0	112	K59 N60 L61 H66	K59-E63 WeakPolarHBondContact CE-OE1 3.29Å; K59-E63 IonicContact NZ-OE1 3.11Å; K59-E63 WeakPolarHBondContact O-CG 3.26Å; K59-E63 PolarHBondContact O-N 3.09Å; N60-E63 PolarHBondContact O-N 3.26Å; L61-E63 VanDerWaalsContact C-N 3.34Å; L61-E63 PolarHBondContact O-N 3.04Å; E63-H66 WeakPolarHBondContact O-CB 3.29Å; E63-H66 PolarHBondContact O-N 2.82Å
64	Q	82	Confident	83.5	Confident	19 Å²	19	65.4 Å²	65.4	9%	0.089	31%	0.307	C	S	.	.	H	α-helix	trans	-69.2	-39.8	175.9	-68.4	-168.2	24.2	0	0	113.7	N60 L61 H66 N67 N70 T103	N60-Q64 WeakPolarHBondContact O-CG 3.46Å; N60-Q64 PolarHBondContact O-N 3.24Å; N60-Q64 WeakPolarHBondContact OD1-CG 3.25Å; N60-Q64 PolarHBondContact OD1-NE2 3.18Å; L61-Q64 PolarHBondContact O-N 3.42Å; Q64-H66 PolarHBondContact O-N 3.11Å; Q64-N67 WeakPolarHBondContact O-CB 3.49Å; Q64-N67 PolarHBondContact O-N 3.49Å; Q64-N67 VanDerWaalsContact O-N 3.09Å; Q64-N70 PolarHBondContact O-ND2 3.38Å; Q64-T103 VanDerWaalsContact CD-OG1 3.3Å; Q64-T103 PolarHBondContact NE2-OG1 3.07Å; Q64-T103 PolarHBondContact OE1-OG1 3.32Å
65	F	82	Confident	83.2	Confident	66 Å²	66	63.8 Å²	63.8	29%	0.289	31%	0.307	S	S	.	.	H	α-helix	trans	-73.3	-6.6	178.4	-81.2	-65.9	0	0	0	113.7	L61 N67 N70 L74 I100	L61-F65 HydrophobicContact CB-CD2 4.49Å; L61-F65 HydrophobicContact CD2-CE2 4.36Å; L61-F65 VanDerWaalsContact O-CD2 3.24Å; L61-F65 WeakPolarHBondContact O-CD2 3.19Å; L61-F65 PolarHBondContact O-N 3.48Å; F65-N67 PolarHBondContact O-N 2.98Å; F65-N70 HydrophobicContact CD1-CB 4Å; F65-N70 HydrophobicContact CE1-CB 4.27Å; F65-L74 HydrophobicContact CD1-CD2 4.29Å; F65-L74 HydrophobicContact CE1-CB 4.09Å; F65-L74 HydrophobicContact CE1-CD1 4.49Å; F65-L74 HydrophobicContact CE1-CD2 4.07Å; F65-L74 HydrophobicContact CE1-CG 4.46Å; F65-I100 HydrophobicContact CE2-CD1 4.47Å; F65-I100 HydrophobicContact CZ-CD1 3.96Å
66	H	78.9	Confident	82.9	Confident	150 Å²	150	61.2 Å²	61.2	69%	0.694	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-9.6	166.5	-156.8	-59	0	0	0	112.5	Y62 E63 Q64	Y62-H66 PolarHBondContact O-N 3.47Å; E63-H66 WeakPolarHBondContact O-CB 3.29Å; E63-H66 PolarHBondContact O-N 2.82Å; Q64-H66 PolarHBondContact O-N 3.11Å
67	N	72.6	Confident	82.5	Confident	42 Å²	42	61.2 Å²	61.2	23%	0.225	30%	0.295	C	S	.	.	S	Bend	trans	-81.2	126.8	169.6	-171.3	-10.1	0	0	0	111.1	Q64 F65 A69 N70 L71	Q64-N67 WeakPolarHBondContact O-CB 3.49Å; Q64-N67 PolarHBondContact O-N 3.49Å; Q64-N67 VanDerWaalsContact O-N 3.09Å; F65-N67 PolarHBondContact O-N 2.98Å; N67-A69 PolarHBondContact O-N 2.94Å; N67-A69 PolarHBondContact OD1-N 3.48Å; N67-N70 HydrophobicContact CB-CB 4.48Å; N67-N70 PolarHBondContact O-N 2.9Å; N67-N70 VanDerWaalsContact O-N 3.09Å; N67-L71 PolarHBondContact O-N 3.27Å
68	I	78.5	Confident	82.3	Confident	68 Å²	68	60.3 Å²	60.3	35%	0.349	29%	0.293	S	S	.	.	H	α-helix	trans	-56.9	-35.6	-177.5	-58.1	-177.4	0	0	0	111.9	L71 Y72 N345 M352	I68-L71 PolarHBondContact O-N 2.8Å; I68-Y72 WeakPolarHBondContact O-CB 3.5Å; I68-Y72 PolarHBondContact O-N 3.24Å; I68-N345 HydrophobicContact CD1-CB 4.29Å; I68-M352 HydrophobicContact CG2-CE 4.18Å; I68-M352 HydrophobicContact CG2-SD 4.24Å
69	A	76.1	Confident	82	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-66.4	-40.5	178.3	0	0	0	0	0	113	N67 L71 Y72 F73 L348 I410	N67-A69 PolarHBondContact O-N 2.94Å; N67-A69 PolarHBondContact OD1-N 3.48Å; A69-L71 VanDerWaalsContact C-N 3.35Å; A69-Y72 WeakPolarHBondContact O-CB 3.11Å; A69-Y72 PolarHBondContact O-N 2.82Å; A69-F73 HydrophobicContact CB-CE2 4.38Å; A69-F73 WeakPolarHBondContact O-CD2 3.43Å; A69-F73 PolarHBondContact O-N 3.48Å; A69-L348 HydrophobicContact CB-CD1 4.36Å; A69-I410 HydrophobicContact CB-CD1 3.36Å
70	N	79.3	Confident	81.8	Confident	8 Å²	8	54.3 Å²	54.3	4%	0.043	26%	0.264	C	S	.	.	H	α-helix	trans	-68.6	-37.8	178.4	-67.7	-13.6	0	0	0	110.9	Q64 F65 N67 Y72 L74	Q64-N70 PolarHBondContact O-ND2 3.38Å; F65-N70 HydrophobicContact CD1-CB 4Å; F65-N70 HydrophobicContact CE1-CB 4.27Å; N67-N70 HydrophobicContact CB-CB 4.48Å; N67-N70 PolarHBondContact O-N 2.9Å; N67-N70 VanDerWaalsContact O-N 3.09Å; N70-Y72 VanDerWaalsContact C-N 3.34Å; N70-L74 WeakPolarHBondContact O-CB 3.39Å; N70-L74 PolarHBondContact O-N 2.92Å; N70-L74 VanDerWaalsContact O-N 3.08Å
71	L	82.3	Confident	81.5	Confident	85 Å²	85	63.7 Å²	63.7	45%	0.445	30%	0.301	S	S	.	.	H	α-helix	trans	-62.6	-40.1	171.1	-178.1	65.9	0	0	0	112	N67 I68 A69 L74 L75	N67-L71 PolarHBondContact O-N 3.27Å; I68-L71 PolarHBondContact O-N 2.8Å; A69-L71 VanDerWaalsContact C-N 3.35Å; L71-L74 WeakPolarHBondContact O-CB 3.39Å; L71-L74 PolarHBondContact O-N 3.41Å; L71-L75 WeakPolarHBondContact O-CG 3.48Å; L71-L75 PolarHBondContact O-N 3.46Å
72	Y	83.8	Confident	81.2	Confident	17 Å²	17	66.2 Å²	66.2	7%	0.067	31%	0.31	C	S	.	.	H	α-helix	trans	-61.5	-49.7	176.1	166.5	-100.2	0	0	0	112.5	I68 A69 N70 L74 L75 I76 M352 M355 N402 I405	I68-Y72 WeakPolarHBondContact O-CB 3.5Å; I68-Y72 PolarHBondContact O-N 3.24Å; A69-Y72 WeakPolarHBondContact O-CB 3.11Å; A69-Y72 PolarHBondContact O-N 2.82Å; N70-Y72 VanDerWaalsContact C-N 3.34Å; Y72-L74 VanDerWaalsContact C-N 3.27Å; Y72-L74 PolarHBondContact O-N 2.96Å; Y72-L75 WeakPolarHBondContact O-CB 3.42Å; Y72-L75 PolarHBondContact O-N 2.87Å; Y72-L75 VanDerWaalsContact O-N 3.09Å; Y72-I76 HydrophobicContact CD2-CG1 4.42Å; Y72-I76 HydrophobicContact CE1-CG1 4.02Å; Y72-I76 HydrophobicContact CE2-CD1 3.94Å; Y72-I76 HydrophobicContact CE2-CG1 3.75Å; Y72-I76 PolarHBondContact O-N 3.39Å; Y72-I76 WeakPolarHBondContact OH-CD1 3.33Å; Y72-M352 HydrophobicContact CD1-CE 4.19Å; Y72-M352 HydrophobicContact CD2-CE 4.07Å; Y72-M352 HydrophobicContact CD2-CG 3.99Å; Y72-M352 HydrophobicContact CD2-SD 4.08Å; Y72-M352 HydrophobicContact CE2-CG 4.36Å; Y72-M352 HydrophobicContact CG-CE 3.6Å; Y72-M352 HydrophobicContact CG-CG 4.4Å; Y72-M352 HydrophobicContact CG-SD 4.19Å; Y72-M355 HydrophobicContact CE2-CE 3.39Å; Y72-M355 HydrophobicContact CE2-SD 4.49Å; Y72-M355 VanDerWaalsContact OH-CE 3.23Å; Y72-M355 WeakPolarHBondContact OH-CE 3.11Å; Y72-M355 PolarHBondContact OH-SD 3.32Å; Y72-N402 WeakPolarHBondContact CE1-OD1 3.09Å; Y72-N402 PolarHBondContact OH-OD1 2.96Å; Y72-I405 HydrophobicContact CD1-CD1 4.13Å; Y72-I405 HydrophobicContact CD1-CG2 4.28Å; Y72-I405 HydrophobicContact CD2-CD1 4.43Å; Y72-I405 HydrophobicContact CE1-CB 4.07Å; Y72-I405 HydrophobicContact CE1-CD1 3.77Å; Y72-I405 HydrophobicContact CE1-CG1 4.46Å; Y72-I405 HydrophobicContact CE1-CG2 4.19Å; Y72-I405 HydrophobicContact CE2-CD1 4.11Å; Y72-I405 HydrophobicContact CG-CD1 4.45Å
73	F	80.6	Confident	80.8	Confident	10 Å²	10	58.3 Å²	58.3	4%	0.044	28%	0.28	C	S	.	.	H	α-helix	trans	-64.9	-33.1	178.4	-62.3	-56	0	0	0	112.1	A69 I76 I77 L96 I405 I407	A69-F73 HydrophobicContact CB-CE2 4.38Å; A69-F73 WeakPolarHBondContact O-CD2 3.43Å; A69-F73 PolarHBondContact O-N 3.48Å; F73-I76 PolarHBondContact O-N 2.93Å; F73-I77 VanDerWaalsContact O-CG1 3.27Å; F73-I77 WeakPolarHBondContact O-CG1 3.04Å; F73-I77 PolarHBondContact O-N 3.14Å; F73-L96 HydrophobicContact CB-CD1 3.87Å; F73-L96 HydrophobicContact CB-CD2 3.9Å; F73-L96 HydrophobicContact CB-CG 4.43Å; F73-L96 HydrophobicContact CD2-CD1 4Å; F73-L96 HydrophobicContact CG-CD1 4.27Å; F73-I405 HydrophobicContact CE1-CG2 4.29Å; F73-I405 HydrophobicContact CZ-CG2 3.87Å; F73-I407 HydrophobicContact CD1-CG1 3.93Å; F73-I407 HydrophobicContact CE1-CB 4.4Å; F73-I407 HydrophobicContact CE1-CD1 4.29Å; F73-I407 HydrophobicContact CE1-CG1 3.33Å; F73-I407 HydrophobicContact CE2-CB 4.34Å; F73-I407 HydrophobicContact CE2-CG1 4.04Å; F73-I407 HydrophobicContact CE2-CG2 4.34Å; F73-I407 HydrophobicContact CZ-CB 3.99Å; F73-I407 HydrophobicContact CZ-CG1 3.4Å; F73-I407 VanDerWaalsContact CZ-CG1 3.4Å; F73-I407 HydrophobicContact CZ-CG2 4.47Å
74	L	81.1	Confident	80.3	Confident	71 Å²	71	59.1 Å²	59.1	37%	0.372	29%	0.287	S	S	.	.	H	α-helix	trans	-61.5	-42.3	170.8	-175	67.6	0	0	0	112.3	F65 N70 L71 Y72 I77 V78	F65-L74 HydrophobicContact CD1-CD2 4.29Å; F65-L74 HydrophobicContact CE1-CB 4.09Å; F65-L74 HydrophobicContact CE1-CD1 4.49Å; F65-L74 HydrophobicContact CE1-CD2 4.07Å; F65-L74 HydrophobicContact CE1-CG 4.46Å; N70-L74 WeakPolarHBondContact O-CB 3.39Å; N70-L74 PolarHBondContact O-N 2.92Å; N70-L74 VanDerWaalsContact O-N 3.08Å; L71-L74 WeakPolarHBondContact O-CB 3.39Å; L71-L74 PolarHBondContact O-N 3.41Å; Y72-L74 VanDerWaalsContact C-N 3.27Å; Y72-L74 PolarHBondContact O-N 2.96Å; L74-I77 PolarHBondContact O-N 3.07Å; L74-V78 WeakPolarHBondContact O-CG2 3.17Å; L74-V78 PolarHBondContact O-N 2.99Å
75	L	83.6	Confident	79.5	Confident	104 Å²	104	61.7 Å²	61.7	55%	0.545	30%	0.299	S	S	.	.	H	α-helix	trans	-63.8	-41.1	176.3	-71	168.6	0	0	0	112	L71 Y72 I77 V78 T79	L71-L75 WeakPolarHBondContact O-CG 3.48Å; L71-L75 PolarHBondContact O-N 3.46Å; Y72-L75 WeakPolarHBondContact O-CB 3.42Å; Y72-L75 PolarHBondContact O-N 2.87Å; Y72-L75 VanDerWaalsContact O-N 3.09Å; L75-I77 VanDerWaalsContact C-N 3.35Å; L75-V78 PolarHBondContact O-N 3.39Å; L75-T79 PolarHBondContact O-N 2.83Å; L75-T79 VanDerWaalsContact O-N 3.07Å
76	I	83.5	Confident	78.4	Confident	7 Å²	7	60.7 Å²	60.7	4%	0.036	30%	0.298	C	S	.	.	H	α-helix	trans	-62.8	-41.5	173.9	-64.7	-65.9	0	0	0	111.1	Y72 F73 V78 T79 Y80 L398 F399	Y72-I76 HydrophobicContact CD2-CG1 4.42Å; Y72-I76 HydrophobicContact CE1-CG1 4.02Å; Y72-I76 HydrophobicContact CE2-CD1 3.94Å; Y72-I76 HydrophobicContact CE2-CG1 3.75Å; Y72-I76 PolarHBondContact O-N 3.39Å; Y72-I76 WeakPolarHBondContact OH-CD1 3.33Å; F73-I76 PolarHBondContact O-N 2.93Å; I76-V78 VanDerWaalsContact C-N 3.31Å; I76-V78 PolarHBondContact O-N 3.39Å; I76-T79 WeakPolarHBondContact CA-OG1 3.46Å; I76-T79 PolarHBondContact O-N 2.86Å; I76-T79 VanDerWaalsContact O-N 3.11Å; I76-T79 PolarHBondContact O-OG1 2.94Å; I76-Y80 HydrophobicContact CG2-CE2 3.89Å; I76-Y80 VanDerWaalsContact O-CD2 3.28Å; I76-Y80 WeakPolarHBondContact O-CD2 3.45Å; I76-Y80 PolarHBondContact O-N 3.06Å; I76-L398 HydrophobicContact CD1-CD2 3.87Å; I76-L398 HydrophobicContact CD1-CG 4.01Å; I76-F399 HydrophobicContact CG2-CD1 4.46Å; I76-F399 HydrophobicContact CG2-CE1 4.47Å
77	I	81.8	Confident	77.7	Confident	42 Å²	42	54.6 Å²	54.6	22%	0.215	28%	0.276	C	S	.	.	H	α-helix	trans	-59.5	-42.1	174.9	-70.1	167.1	0	0	0	111.4	F73 L74 L75 T79 Y80 I93 L96	F73-I77 VanDerWaalsContact O-CG1 3.27Å; F73-I77 WeakPolarHBondContact O-CG1 3.04Å; F73-I77 PolarHBondContact O-N 3.14Å; L74-I77 PolarHBondContact O-N 3.07Å; L75-I77 VanDerWaalsContact C-N 3.35Å; I77-T79 VanDerWaalsContact C-N 3.31Å; I77-T79 PolarHBondContact O-N 3.24Å; I77-Y80 PolarHBondContact O-N 3.28Å; I77-I93 HydrophobicContact CD1-CG1 3.98Å; I77-I93 HydrophobicContact CG1-CG1 3.92Å; I77-I93 HydrophobicContact CG2-CD1 4.19Å; I77-I93 HydrophobicContact CG2-CG1 4.25Å; I77-L96 HydrophobicContact CD1-CD2 3.45Å; I77-L96 VanDerWaalsContact CD1-CD2 3.45Å
78	V	84.7	Confident	77.5	Confident	80 Å²	80	55.3 Å²	55.3	49%	0.485	28%	0.284	S	S	.	.	H	α-helix	trans	-63.5	-35.1	175.6	171.4	0	0	0	0	112	L74 L75 I76 Y80 Y81 F82	L74-V78 WeakPolarHBondContact O-CG2 3.17Å; L74-V78 PolarHBondContact O-N 2.99Å; L75-V78 PolarHBondContact O-N 3.39Å; I76-V78 VanDerWaalsContact C-N 3.31Å; I76-V78 PolarHBondContact O-N 3.39Å; V78-Y80 VanDerWaalsContact C-N 3.29Å; V78-Y80 PolarHBondContact O-N 3.06Å; V78-Y81 WeakPolarHBondContact O-CB 3.37Å; V78-Y81 PolarHBondContact O-N 3.49Å; V78-F82 HydrophobicContact CG1-CE2 4.12Å; V78-F82 WeakPolarHBondContact O-CD2 3.18Å
79	T	83.8	Confident	77.2	Confident	29 Å²	29	54 Å²	54	18%	0.178	28%	0.279	C	S	.	.	H	α-helix	trans	-66.1	-24.8	178.2	48.3	0	0	0	0	114.6	L75 I76 I77 Y81 F82 F399	L75-T79 PolarHBondContact O-N 2.83Å; L75-T79 VanDerWaalsContact O-N 3.07Å; I76-T79 WeakPolarHBondContact CA-OG1 3.46Å; I76-T79 PolarHBondContact O-N 2.86Å; I76-T79 VanDerWaalsContact O-N 3.11Å; I76-T79 PolarHBondContact O-OG1 2.94Å; I77-T79 VanDerWaalsContact C-N 3.31Å; I77-T79 PolarHBondContact O-N 3.24Å; T79-Y81 PolarHBondContact O-N 3.11Å; T79-F82 PolarHBondContact O-N 2.91Å; T79-F399 WeakPolarHBondContact OG1-CE1 3.35Å
80	Y	81.6	Confident	77	Confident	31 Å²	31	58.3 Å²	58.3	12%	0.122	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-16.3	174.4	-76.5	-74.4	0	0	0	114.1	I76 I77 V78 F82 H85 V89 T92 F399	I76-Y80 HydrophobicContact CG2-CE2 3.89Å; I76-Y80 VanDerWaalsContact O-CD2 3.28Å; I76-Y80 WeakPolarHBondContact O-CD2 3.45Å; I76-Y80 PolarHBondContact O-N 3.06Å; I77-Y80 PolarHBondContact O-N 3.28Å; V78-Y80 VanDerWaalsContact C-N 3.29Å; V78-Y80 PolarHBondContact O-N 3.06Å; Y80-F82 VanDerWaalsContact C-N 3.32Å; Y80-H85 HydrophobicContact CD1-CB 4.22Å; Y80-V89 HydrophobicContact CD1-CG2 3.9Å; Y80-V89 HydrophobicContact CD2-CG1 4.3Å; Y80-V89 HydrophobicContact CG-CG1 4.09Å; Y80-V89 HydrophobicContact CG-CG2 4.15Å; Y80-T92 HydrophobicContact CE2-CG2 4.1Å; Y80-T92 WeakPolarHBondContact CE2-OG1 3.34Å; Y80-T92 VanDerWaalsContact OH-CG2 3.28Å; Y80-T92 WeakPolarHBondContact OH-CG2 3.38Å; Y80-F399 HydrophobicContact CD1-CD1 4.33Å; Y80-F399 HydrophobicContact CD1-CD2 4.42Å; Y80-F399 AromaticContact CD1-CE1 3.74Å; Y80-F399 HydrophobicContact CD1-CE1 3.74Å; Y80-F399 AromaticContact CD1-CE2 3.83Å; Y80-F399 HydrophobicContact CD1-CE2 3.83Å; Y80-F399 AromaticContact CD1-CZ 3.47Å; Y80-F399 HydrophobicContact CD1-CZ 3.47Å; Y80-F399 VanDerWaalsContact CD1-CZ 3.47Å; Y80-F399 AromaticContact CD2-CE1 3.82Å; Y80-F399 HydrophobicContact CD2-CE1 3.82Å; Y80-F399 HydrophobicContact CD2-CZ 4.23Å; Y80-F399 AromaticContact CE1-CD1 3.7Å; Y80-F399 HydrophobicContact CE1-CD1 3.7Å; Y80-F399 AromaticContact CE1-CD2 3.96Å; Y80-F399 HydrophobicContact CE1-CD2 3.96Å; Y80-F399 AromaticContact CE1-CE1 3.59Å; Y80-F399 HydrophobicContact CE1-CE1 3.59Å; Y80-F399 AromaticContact CE1-CE2 3.84Å; Y80-F399 HydrophobicContact CE1-CE2 3.84Å; Y80-F399 AromaticContact CE1-CG 3.91Å; Y80-F399 HydrophobicContact CE1-CG 3.91Å; Y80-F399 AromaticContact CE1-CZ 3.67Å; Y80-F399 HydrophobicContact CE1-CZ 3.67Å; Y80-F399 AromaticContact CE2-CD1 3.94Å; Y80-F399 HydrophobicContact CE2-CD1 3.94Å; Y80-F399 AromaticContact CE2-CE1 3.67Å; Y80-F399 HydrophobicContact CE2-CE1 3.67Å; Y80-F399 HydrophobicContact CE2-CZ 4.39Å; Y80-F399 AromaticContact CG-CE1 3.85Å; Y80-F399 HydrophobicContact CG-CE1 3.85Å; Y80-F399 AromaticContact CG-CZ 3.77Å; Y80-F399 HydrophobicContact CG-CZ 3.77Å; Y80-F399 AromaticContact CZ-CD1 3.47Å; Y80-F399 VanDerWaalsContact CZ-CD1 3.47Å; Y80-F399 AromaticContact CZ-CE1 3.54Å
81	Y	81.8	Confident	76.4	Confident	198 Å²	198	59 Å²	59	78%	0.776	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-20.6	176	-176.1	-102.6	0	0	0	113.4	V78 T79	V78-Y81 WeakPolarHBondContact O-CB 3.37Å; V78-Y81 PolarHBondContact O-N 3.49Å; T79-Y81 PolarHBondContact O-N 3.11Å
82	F	81.2	Confident	75.8	Confident	106 Å²	106	55.4 Å²	55.4	47%	0.465	29%	0.291	S	S	.	.	S	Bend	trans	-100.3	-9.6	-171.2	-67.1	-79.4	0	0	0	114.5	V78 T79 Y80 W388	V78-F82 HydrophobicContact CG1-CE2 4.12Å; V78-F82 WeakPolarHBondContact O-CD2 3.18Å; T79-F82 PolarHBondContact O-N 2.91Å; Y80-F82 VanDerWaalsContact C-N 3.32Å; F82-W388 HydrophobicContact CD1-CH2 4.46Å
83	V	76.8	Confident	75.6	Confident	7 Å²	7	57.5 Å²	57.5	4%	0.042	30%	0.303	C	S	.	.	S	Bend	trans	-151.1	133.7	-165.1	169.6	0	0	0	0	111.4	R392 I395 R396 F399	V83-R392 HydrophobicContact CG2-CB 4.28Å; V83-R392 HydrophobicContact CG2-CG 4.17Å; V83-I395 HydrophobicContact CB-CB 4.42Å; V83-I395 HydrophobicContact CB-CG2 3.82Å; V83-I395 HydrophobicContact CG1-CG2 4.11Å; V83-I395 HydrophobicContact CG2-CB 3.8Å; V83-I395 HydrophobicContact CG2-CD1 3.79Å; V83-I395 HydrophobicContact CG2-CG1 4.4Å; V83-I395 HydrophobicContact CG2-CG2 3.67Å; V83-R396 HydrophobicContact CG1-CG 3.35Å; V83-F399 HydrophobicContact CB-CE2 4.41Å; V83-F399 HydrophobicContact CG1-CE2 4.17Å
84	D	70.9	Confident	75.4	Confident	100 Å²	100	62 Å²	62	54%	0.535	33%	0.325	S	S	.	.			trans	-61.8	136.8	179.1	-44.7	-56.4	0	0	0	111.3
85	H	64	Low	75	Confident	73 Å²	73	59.7 Å²	59.7	34%	0.338	32%	0.315	S	S	.	.			trans	-96.6	113.7	-153.5	59.1	-73.3	0	0	0	111.2	Y80 G87 V89 D1303	Y80-H85 HydrophobicContact CD1-CB 4.22Å; H85-G87 PolarHBondContact CD2-O 3.14Å; H85-G87 PolarHBondContact O-N 2.61Å; H85-V89 HydrophobicContact CB-CG2 4.13Å; H85-D1303 IonicContact CE1-OD1 3.34Å; H85-D1303 IonicContact CE1-OD2 3.44Å; H85-D1303 PolarHBondContact CE1-OD2 2.89Å; H85-D1303 IonicContact CG-OD2 2.78Å; H85-D1303 IonicContact ND1-OD2 3.15Å; H85-D1303 PolarHBondContact ND1-OD2 2.79Å
86	V	60.3	Low	74.8	Confident	46 Å²	46	55.1 Å²	55.1	28%	0.279	29%	0.291	S	S	.	.	S	Bend	trans	-62.5	-13.3	178.2	-174.2	0	0	0	0	112.5	R396 E1133 P1135	V86-R396 HydrophobicContact CG2-CB 4.49Å; V86-R396 HydrophobicContact CG2-CG 4.46Å; V86-E1133 WeakPolarHBondContact CG1-O 3.2Å; V86-P1135 HydrophobicContact CG1-CG 4.2Å
87	G	63.5	Low	74.7	Confident	22 Å²	22	58.4 Å²	58.4	23%	0.227	31%	0.311	C	S	.	.	S	Bend	trans	-159	156	170	0	0	0	0	0	111.5	H85 V89	H85-G87 PolarHBondContact CD2-O 3.14Å; H85-G87 PolarHBondContact O-N 2.61Å; G87-V89 PolarHBondContact O-N 3.08Å
88	S	67.9	Low	74.7	Confident	56 Å²	56	59.8 Å²	59.8	39%	0.392	32%	0.318	S	S	.	.			trans	-49.5	123.8	-172.1	177.2	0	0	0	0	113.8	T90 V91	S88-T90 PolarHBondContact O-N 2.87Å; S88-T90 VanDerWaalsContact O-N 3.09Å; S88-T90 PolarHBondContact OG-OG1 2.83Å; S88-V91 WeakPolarHBondContact O-CB 3.11Å; S88-V91 WeakPolarHBondContact O-CG2 3.32Å; S88-V91 PolarHBondContact O-N 3.08Å
89	V	71.9	Confident	74.3	Confident	40 Å²	40	56.3 Å²	56.3	24%	0.242	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-30.4	-179.3	-175.7	0	0	0	0	113	Y80 H85 G87 V91 T92 I93	Y80-V89 HydrophobicContact CD1-CG2 3.9Å; Y80-V89 HydrophobicContact CD2-CG1 4.3Å; Y80-V89 HydrophobicContact CG-CG1 4.09Å; Y80-V89 HydrophobicContact CG-CG2 4.15Å; H85-V89 HydrophobicContact CB-CG2 4.13Å; G87-V89 PolarHBondContact O-N 3.08Å; V89-V91 PolarHBondContact O-N 2.96Å; V89-V91 VanDerWaalsContact O-N 3.11Å; V89-T92 PolarHBondContact O-N 2.71Å; V89-T92 PolarHBondContact O-OG1 3.03Å; V89-T92 VanDerWaalsContact O-OG1 3.13Å; V89-I93 HydrophobicContact CG1-CD1 3.68Å; V89-I93 HydrophobicContact CG1-CG1 4.18Å; V89-I93 PolarHBondContact O-N 3.42Å
90	T	72.7	Confident	74.3	Confident	93 Å²	93	55.9 Å²	55.9	57%	0.571	29%	0.293	S	S	*	.	H	α-helix	trans	-52.2	-33.8	174.9	-49	0	0	0	0	112.3	S88 T92 M94	S88-T90 PolarHBondContact O-N 2.87Å; S88-T90 VanDerWaalsContact O-N 3.09Å; S88-T90 PolarHBondContact OG-OG1 2.83Å; T90-T92 VanDerWaalsContact C-N 3.34Å; T90-T92 PolarHBondContact O-N 2.59Å; T90-M94 HydrophobicContact CG2-CB 4.46Å; T90-M94 WeakPolarHBondContact O-CB 3.11Å; T90-M94 PolarHBondContact O-N 2.98Å
91	V	67	Low	74.5	Confident	21 Å²	21	56.9 Å²	56.9	13%	0.127	31%	0.305	C	S	.	.	H	α-helix	trans	-64	-33.8	-176.3	164	0	0	0	0	113.2	S88 V89 P95 T1139 I1143	S88-V91 WeakPolarHBondContact O-CB 3.11Å; S88-V91 WeakPolarHBondContact O-CG2 3.32Å; S88-V91 PolarHBondContact O-N 3.08Å; V89-V91 PolarHBondContact O-N 2.96Å; V89-V91 VanDerWaalsContact O-N 3.11Å; V91-P95 WeakPolarHBondContact O-CD 3.37Å; V91-P95 WeakPolarHBondContact O-CG 3.42Å; V91-T1139 HydrophobicContact CG1-CG2 4.4Å; V91-T1139 HydrophobicContact CG2-CG2 3.93Å; V91-I1143 HydrophobicContact CB-CD1 3.95Å; V91-I1143 HydrophobicContact CB-CG1 4.19Å; V91-I1143 HydrophobicContact CG1-CD1 3.66Å; V91-I1143 HydrophobicContact CG1-CG1 3.35Å; V91-I1143 HydrophobicContact CG2-CD1 3.56Å; V91-I1143 HydrophobicContact CG2-CG1 4.27Å
92	T	70.2	Confident	74.6	Confident	10 Å²	10	51.6 Å²	51.6	6%	0.061	29%	0.289	C	S	.	.	H	α-helix	trans	-93.8	-33.3	178.1	50.1	0	0	0	0	112.8	Y80 V89 T90	Y80-T92 HydrophobicContact CE2-CG2 4.1Å; Y80-T92 WeakPolarHBondContact CE2-OG1 3.34Å; Y80-T92 VanDerWaalsContact OH-CG2 3.28Å; Y80-T92 WeakPolarHBondContact OH-CG2 3.38Å; V89-T92 PolarHBondContact O-N 2.71Å; V89-T92 PolarHBondContact O-OG1 3.03Å; V89-T92 VanDerWaalsContact O-OG1 3.13Å; T90-T92 VanDerWaalsContact C-N 3.34Å; T90-T92 PolarHBondContact O-N 2.59Å
93	I	78.8	Confident	74.5	Confident	61 Å²	61	47.4 Å²	47.4	31%	0.313	27%	0.272	S	S	.	.	H	α-helix	trans	-69.9	-45.7	178.2	-66	-179.1	0	0	0	111	I77 V89 L96 V97	I77-I93 HydrophobicContact CD1-CG1 3.98Å; I77-I93 HydrophobicContact CG1-CG1 3.92Å; I77-I93 HydrophobicContact CG2-CD1 4.19Å; I77-I93 HydrophobicContact CG2-CG1 4.25Å; V89-I93 HydrophobicContact CG1-CD1 3.68Å; V89-I93 HydrophobicContact CG1-CG1 4.18Å; V89-I93 PolarHBondContact O-N 3.42Å; I93-L96 WeakPolarHBondContact O-CB 3.49Å; I93-L96 PolarHBondContact O-N 3.44Å; I93-L96 VanDerWaalsContact O-N 3.12Å; I93-V97 HydrophobicContact CG2-CG2 3.76Å; I93-V97 WeakPolarHBondContact O-CG2 3.49Å; I93-V97 PolarHBondContact O-N 3.3Å
94	M	77.3	Confident	74.9	Confident	104 Å²	104	48.5 Å²	48.5	51%	0.512	28%	0.277	S	S	.	.	H	α-helix	trans	-63.5	-43.5	-168.1	-163	-81.6	-174.5	0	0	113.7	T90 L96 V97 I98	T90-M94 HydrophobicContact CG2-CB 4.46Å; T90-M94 WeakPolarHBondContact O-CB 3.11Å; T90-M94 PolarHBondContact O-N 2.98Å; M94-L96 VanDerWaalsContact C-N 3.31Å; M94-L96 PolarHBondContact O-N 3.23Å; M94-V97 PolarHBondContact O-N 3.01Å; M94-I98 HydrophobicContact CE-CD1 3.64Å; M94-I98 HydrophobicContact CE-CG1 4.12Å; M94-I98 PolarHBondContact O-N 3.04Å; M94-I98 HydrophobicContact SD-CD1 3.42Å; M94-I98 WeakPolarHBondContact SD-CD1 3.46Å; M94-I98 HydrophobicContact SD-CG1 3.89Å
95	P	72.7	Confident	75.8	Confident	23 Å²	23	49.1 Å²	49.1	15%	0.149	28%	0.279	C	S	.	.	H	α-helix	trans	-61.6	-35.6	173.3	-23.7	35.3	0	0	0	113.6	V91 L99 I407	V91-P95 WeakPolarHBondContact O-CD 3.37Å; V91-P95 WeakPolarHBondContact O-CG 3.42Å; P95-L99 VanDerWaalsContact O-CB 3.28Å; P95-L99 WeakPolarHBondContact O-CB 3.47Å; P95-L99 PolarHBondContact O-N 2.78Å; P95-I407 HydrophobicContact CB-CD1 4.33Å; P95-I407 HydrophobicContact CB-CG2 4.32Å
96	L	77.9	Confident	76.6	Confident	8 Å²	8	48 Å²	48	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-68.8	-42	176.1	-175	70.4	0	0	0	111.3	F73 I77 I93 M94 L99 I100	F73-L96 HydrophobicContact CB-CD1 3.87Å; F73-L96 HydrophobicContact CB-CD2 3.9Å; F73-L96 HydrophobicContact CB-CG 4.43Å; F73-L96 HydrophobicContact CD2-CD1 4Å; F73-L96 HydrophobicContact CG-CD1 4.27Å; I77-L96 HydrophobicContact CD1-CD2 3.45Å; I77-L96 VanDerWaalsContact CD1-CD2 3.45Å; I93-L96 WeakPolarHBondContact O-CB 3.49Å; I93-L96 PolarHBondContact O-N 3.44Å; I93-L96 VanDerWaalsContact O-N 3.12Å; M94-L96 VanDerWaalsContact C-N 3.31Å; M94-L96 PolarHBondContact O-N 3.23Å; L96-L99 WeakPolarHBondContact O-CB 3.43Å; L96-L99 PolarHBondContact O-N 3.41Å; L96-I100 HydrophobicContact CD1-CD1 4.24Å; L96-I100 HydrophobicContact CD2-CD1 4.42Å; L96-I100 HydrophobicContact CG-CD1 3.93Å; L96-I100 WeakPolarHBondContact O-CB 3.48Å; L96-I100 WeakPolarHBondContact O-CG1 3.43Å; L96-I100 PolarHBondContact O-N 3.07Å
97	V	83.3	Confident	77.6	Confident	77 Å²	77	46.9 Å²	46.9	47%	0.467	27%	0.266	S	S	.	.	H	α-helix	trans	-64.5	-41.1	177.2	172.2	0	0	0	0	111.3	I93 M94 S101	I93-V97 HydrophobicContact CG2-CG2 3.76Å; I93-V97 WeakPolarHBondContact O-CG2 3.49Å; I93-V97 PolarHBondContact O-N 3.3Å; M94-V97 PolarHBondContact O-N 3.01Å; V97-S101 VanDerWaalsContact O-CB 3.28Å; V97-S101 WeakPolarHBondContact O-CB 3.48Å; V97-S101 PolarHBondContact O-N 3.23Å; V97-S101 PolarHBondContact O-OG 3.34Å
98	I	81.5	Confident	78.7	Confident	71 Å²	71	46.5 Å²	46.5	36%	0.364	26%	0.262	S	S	.	.	H	α-helix	trans	-58.4	-50.4	170.9	-73.3	-178.2	0	0	0	110.6	M94 I100 S101 I102	M94-I98 HydrophobicContact CE-CD1 3.64Å; M94-I98 HydrophobicContact CE-CG1 4.12Å; M94-I98 PolarHBondContact O-N 3.04Å; M94-I98 HydrophobicContact SD-CD1 3.42Å; M94-I98 WeakPolarHBondContact SD-CD1 3.46Å; M94-I98 HydrophobicContact SD-CG1 3.89Å; I98-I100 PolarHBondContact O-N 3.1Å; I98-S101 PolarHBondContact O-N 3.37Å; I98-S101 VanDerWaalsContact O-N 3.12Å; I98-I102 HydrophobicContact CG2-CD1 3.58Å; I98-I102 HydrophobicContact CG2-CG1 4.24Å; I98-I102 WeakPolarHBondContact O-CG1 3.43Å; I98-I102 PolarHBondContact O-N 3.14Å
99	L	76.3	Confident	79.6	Confident	7 Å²	7	48.3 Å²	48.3	4%	0.037	27%	0.266	C	S	.	.	H	α-helix	trans	-58.1	-46.3	-177	177	154.8	0	0	0	112.1	P95 L96 T103 I407 V411	P95-L99 VanDerWaalsContact O-CB 3.28Å; P95-L99 WeakPolarHBondContact O-CB 3.47Å; P95-L99 PolarHBondContact O-N 2.78Å; L96-L99 WeakPolarHBondContact O-CB 3.43Å; L96-L99 PolarHBondContact O-N 3.41Å; L99-T103 PolarHBondContact O-N 2.76Å; L99-T103 PolarHBondContact O-OG1 3.33Å; L99-I407 HydrophobicContact CD1-CG2 3.97Å; L99-V411 HydrophobicContact CB-CG2 4.06Å; L99-V411 HydrophobicContact CD1-CG2 3.55Å; L99-V411 HydrophobicContact CG-CG2 3.46Å; L99-V411 VanDerWaalsContact CG-CG2 3.46Å
100	I	82.8	Confident	79.7	Confident	20 Å²	20	50 Å²	50	10%	0.103	27%	0.274	C	S	.	.	H	α-helix	trans	-66.1	-39.1	176.2	-69.2	173.7	0	0	0	110.7	L61 F65 L96 I98 T103 M104	L61-I100 HydrophobicContact CD2-CG2 3.48Å; L61-I100 VanDerWaalsContact CD2-CG2 3.48Å; F65-I100 HydrophobicContact CE2-CD1 4.47Å; F65-I100 HydrophobicContact CZ-CD1 3.96Å; L96-I100 HydrophobicContact CD1-CD1 4.24Å; L96-I100 HydrophobicContact CD2-CD1 4.42Å; L96-I100 HydrophobicContact CG-CD1 3.93Å; L96-I100 WeakPolarHBondContact O-CB 3.48Å; L96-I100 WeakPolarHBondContact O-CG1 3.43Å; L96-I100 PolarHBondContact O-N 3.07Å; I98-I100 PolarHBondContact O-N 3.1Å; I100-T103 WeakPolarHBondContact CA-OG1 3.49Å; I100-T103 PolarHBondContact O-OG1 3.38Å; I100-M104 HydrophobicContact CG2-CG 4.41Å; I100-M104 HydrophobicContact CG2-SD 4Å; I100-M104 WeakPolarHBondContact O-CB 3.45Å; I100-M104 VanDerWaalsContact O-CG 3.26Å; I100-M104 WeakPolarHBondContact O-CG 3.34Å; I100-M104 PolarHBondContact O-N 3.03Å
101	S	86.6	Confident	80.1	Confident	52 Å²	52	46.5 Å²	46.5	36%	0.364	25%	0.252	S	S	.	.	H	α-helix	trans	-66.5	-43.8	179.1	-58.9	0	0	0	0	112.7	V97 I98 M104 I105	V97-S101 VanDerWaalsContact O-CB 3.28Å; V97-S101 WeakPolarHBondContact O-CB 3.48Å; V97-S101 PolarHBondContact O-N 3.23Å; V97-S101 PolarHBondContact O-OG 3.34Å; I98-S101 PolarHBondContact O-N 3.37Å; I98-S101 VanDerWaalsContact O-N 3.12Å; S101-M104 PolarHBondContact O-N 3.37Å; S101-I105 WeakPolarHBondContact O-CD1 3.49Å; S101-I105 VanDerWaalsContact O-CG1 3.25Å; S101-I105 WeakPolarHBondContact O-CG1 3.45Å; S101-I105 PolarHBondContact O-N 2.88Å
102	I	83.2	Confident	81	Confident	87 Å²	87	50.3 Å²	50.3	45%	0.446	27%	0.271	S	S	.	.	H	α-helix	trans	-62	-45.8	178.3	-69.6	171	0	0	0	110.8	I98 I105 K106	I98-I102 HydrophobicContact CG2-CD1 3.58Å; I98-I102 HydrophobicContact CG2-CG1 4.24Å; I98-I102 WeakPolarHBondContact O-CG1 3.43Å; I98-I102 PolarHBondContact O-N 3.14Å; I102-I105 PolarHBondContact O-N 3.11Å; I102-K106 PolarHBondContact O-N 3Å; I102-K106 VanDerWaalsContact O-N 3.08Å
103	T	78.7	Confident	81.6	Confident	17 Å²	17	55 Å²	55	10%	0.104	30%	0.295	C	S	.	.	H	α-helix	trans	-67.3	-38.8	179	46.5	0	0	0	0	112	Q64 L99 I100 K106 D107 E414	Q64-T103 VanDerWaalsContact CD-OG1 3.3Å; Q64-T103 PolarHBondContact NE2-OG1 3.07Å; Q64-T103 PolarHBondContact OE1-OG1 3.32Å; L99-T103 PolarHBondContact O-N 2.76Å; L99-T103 PolarHBondContact O-OG1 3.33Å; I100-T103 WeakPolarHBondContact CA-OG1 3.49Å; I100-T103 PolarHBondContact O-OG1 3.38Å; T103-K106 PolarHBondContact O-N 3.18Å; T103-D107 PolarHBondContact O-N 3.14Å; T103-D107 VanDerWaalsContact O-N 3.12Å; T103-E414 WeakPolarHBondContact CG2-OE2 3.33Å
104	M	86.9	Confident	81.5	Confident	31 Å²	31	55.8 Å²	55.8	15%	0.153	29%	0.294	C	S	.	.	H	α-helix	trans	-60.9	-48	170.4	-76.6	-178.8	64.6	0	0	112	F56 I57 L61 I100 S101 K106 D107 G108	F56-M104 HydrophobicContact CE1-CE 4.09Å; F56-M104 WeakPolarHBondContact CZ-O 3.44Å; I57-M104 HydrophobicContact CB-CE 4.23Å; I57-M104 HydrophobicContact CG1-CE 3.95Å; I57-M104 HydrophobicContact CG2-CE 4.09Å; L61-M104 HydrophobicContact CD2-SD 3.92Å; L61-M104 HydrophobicContact CG-SD 4.22Å; I100-M104 HydrophobicContact CG2-CG 4.41Å; I100-M104 HydrophobicContact CG2-SD 4Å; I100-M104 WeakPolarHBondContact O-CB 3.45Å; I100-M104 VanDerWaalsContact O-CG 3.26Å; I100-M104 WeakPolarHBondContact O-CG 3.34Å; I100-M104 PolarHBondContact O-N 3.03Å; S101-M104 PolarHBondContact O-N 3.37Å; M104-K106 VanDerWaalsContact C-N 3.32Å; M104-K106 PolarHBondContact O-N 3.21Å; M104-D107 PolarHBondContact O-N 2.86Å; M104-G108 PolarHBondContact O-N 2.92Å
105	I	88.4	Confident	81.9	Confident	112 Å²	112	56 Å²	56	57%	0.574	29%	0.29	S	S	*	.	H	α-helix	trans	-57.3	-46.2	179.9	-71.6	162.6	0	0	0	110.9	S101 I102 G108 I109	S101-I105 WeakPolarHBondContact O-CD1 3.49Å; S101-I105 VanDerWaalsContact O-CG1 3.25Å; S101-I105 WeakPolarHBondContact O-CG1 3.45Å; S101-I105 PolarHBondContact O-N 2.88Å; I102-I105 PolarHBondContact O-N 3.11Å; I105-G108 PolarHBondContact O-N 3.49Å; I105-I109 HydrophobicContact CG2-CD1 4.07Å; I105-I109 WeakPolarHBondContact O-CG1 3.49Å; I105-I109 PolarHBondContact O-N 2.84Å; I105-I109 VanDerWaalsContact O-N 3.07Å
106	K	81.4	Confident	82.6	Confident	51 Å²	51	60 Å²	60	22%	0.222	31%	0.306	C	S	.	.	H	α-helix	trans	-56.5	-56.3	177.1	-178.1	-156.3	170.2	-165.5	0	111.8	I102 T103 M104 G108 I109 D110	I102-K106 PolarHBondContact O-N 3Å; I102-K106 VanDerWaalsContact O-N 3.08Å; T103-K106 PolarHBondContact O-N 3.18Å; M104-K106 VanDerWaalsContact C-N 3.32Å; M104-K106 PolarHBondContact O-N 3.21Å; K106-G108 PolarHBondContact O-N 3.04Å; K106-I109 PolarHBondContact O-N 3.01Å; K106-I109 VanDerWaalsContact O-N 3.1Å; K106-D110 PolarHBondContact O-N 2.83Å; K106-D110 VanDerWaalsContact O-N 3.17Å
107	D	81.2	Confident	82.5	Confident	21 Å²	21	62.7 Å²	62.7	11%	0.112	33%	0.325	C	S	.	.	H	α-helix	trans	-62.1	-27.7	-179	-75.5	-4.5	0	0	0	112.4	Y51 N60 T103 M104 D111	Y51-D107 HydrophobicContact CE2-CB 4.37Å; N60-D107 WeakPolarHBondContact ND2-CB 3.39Å; N60-D107 PolarHBondContact ND2-OD2 3.11Å; T103-D107 PolarHBondContact O-N 3.14Å; T103-D107 VanDerWaalsContact O-N 3.12Å; M104-D107 PolarHBondContact O-N 2.86Å; D107-D111 PolarHBondContact O-N 2.88Å
108	G	86.1	Confident	82.5	Confident	14 Å²	14	59.4 Å²	59.4	14%	0.144	31%	0.305	C	S	.	.	H	α-helix	trans	-69.7	-40.7	173.6	0	0	0	0	0	113.4	M104 I105 K106 D111 L112	M104-G108 PolarHBondContact O-N 2.92Å; I105-G108 PolarHBondContact O-N 3.49Å; K106-G108 PolarHBondContact O-N 3.04Å; G108-D111 PolarHBondContact O-N 2.86Å; G108-L112 VanDerWaalsContact O-CG 3.31Å; G108-L112 WeakPolarHBondContact O-CG 3.37Å; G108-L112 PolarHBondContact O-N 3.05Å
109	I	87	Confident	82.8	Confident	95 Å²	95	62.2 Å²	62.2	49%	0.487	32%	0.315	S	S	.	.	H	α-helix	trans	-63.1	-46.2	175.3	-66.9	164.7	0	0	0	110.2	I105 K106 D111 L112 L113	I105-I109 HydrophobicContact CG2-CD1 4.07Å; I105-I109 WeakPolarHBondContact O-CG1 3.49Å; I105-I109 PolarHBondContact O-N 2.84Å; I105-I109 VanDerWaalsContact O-N 3.07Å; K106-I109 PolarHBondContact O-N 3.01Å; K106-I109 VanDerWaalsContact O-N 3.1Å; I109-D111 VanDerWaalsContact C-N 3.29Å; I109-D111 PolarHBondContact O-N 3.27Å; I109-L112 PolarHBondContact O-N 3.07Å; I109-L113 HydrophobicContact CG2-CD1 4.24Å; I109-L113 WeakPolarHBondContact O-CG 3.39Å; I109-L113 PolarHBondContact O-N 2.72Å
110	D	73.2	Confident	83.2	Confident	75 Å²	75	68.3 Å²	68.3	40%	0.401	34%	0.343	S	S	.	.	H	α-helix	trans	-60.1	-37	179.5	-74.8	-16.4	0	0	0	112.4	K106 R114	K106-D110 PolarHBondContact O-N 2.83Å; K106-D110 VanDerWaalsContact O-N 3.17Å; D110-R114 WeakPolarHBondContact O-CG 3.39Å; D110-R114 PolarHBondContact O-N 2.78Å
111	D	82.3	Confident	83.1	Confident	19 Å²	19	71.9 Å²	71.9	10%	0.102	36%	0.362	C	S	.	.	H	α-helix	trans	-78.5	-32	178.6	-149.2	49.7	0	0	0	112.9	T49 H50 Y51 D107 G108 I109 R114 Y115	T49-D111 WeakPolarHBondContact CA-OD1 3.41Å; T49-D111 WeakPolarHBondContact CB-OD1 3.46Å; T49-D111 WeakPolarHBondContact CB-OD2 3.24Å; H50-D111 PolarHBondContact N-OD1 3.47Å; Y51-D111 WeakPolarHBondContact CA-OD2 3.49Å; Y51-D111 VanDerWaalsContact CB-OD2 3.31Å; Y51-D111 WeakPolarHBondContact CB-OD2 3.34Å; Y51-D111 HydrophobicContact CD2-CB 3.95Å; Y51-D111 PolarHBondContact N-OD2 3.12Å; Y51-D111 VanDerWaalsContact N-OD2 3.1Å; D107-D111 PolarHBondContact O-N 2.88Å; G108-D111 PolarHBondContact O-N 2.86Å; I109-D111 VanDerWaalsContact C-N 3.29Å; I109-D111 PolarHBondContact O-N 3.27Å; D111-R114 PolarHBondContact O-N 3.35Å; D111-Y115 PolarHBondContact O-N 2.92Å
112	L	86.5	Confident	83.2	Confident	102 Å²	102	70.1 Å²	70.1	53%	0.534	35%	0.349	S	S	.	.	H	α-helix	trans	-63.4	-43.8	172.2	-77	169.6	0	0	0	111.8	G108 I109 R114 Y115 H116	G108-L112 VanDerWaalsContact O-CG 3.31Å; G108-L112 WeakPolarHBondContact O-CG 3.37Å; G108-L112 PolarHBondContact O-N 3.05Å; I109-L112 PolarHBondContact O-N 3.07Å; L112-R114 VanDerWaalsContact C-N 3.29Å; L112-R114 PolarHBondContact O-N 3.07Å; L112-Y115 WeakPolarHBondContact O-CB 3.38Å; L112-Y115 PolarHBondContact O-N 2.66Å; L112-Y115 VanDerWaalsContact O-N 3.15Å; L112-H116 PolarHBondContact O-CD2 2.96Å; L112-H116 PolarHBondContact O-N 3.26Å
113	L	82.8	Confident	83.4	Confident	107 Å²	107	69 Å²	69	56%	0.56	35%	0.348	S	S	*	.	H	α-helix	trans	-60.3	-38.9	177	-69.5	173.1	0	0	0	112	I109 H116 S117	I109-L113 HydrophobicContact CG2-CD1 4.24Å; I109-L113 WeakPolarHBondContact O-CG 3.39Å; I109-L113 PolarHBondContact O-N 2.72Å; L113-H116 PolarHBondContact O-N 3.42Å; L113-S117 PolarHBondContact O-N 3.24Å; L113-S117 PolarHBondContact O-OG 3.09Å
114	R	76.7	Confident	83.7	Confident	79 Å²	79	72.4 Å²	72.4	30%	0.298	36%	0.364	S	S	.	.	H	α-helix	trans	-65.2	-43.7	173.2	-66.6	170.8	-172.2	-146.5	12.2	112.1	S48 T49 H50 D110 D111 L112 H116 S117 D118	S48-R114 PolarHBondContact O-NH1 2.92Å; T49-R114 HydrophobicContact CG2-CB 4.22Å; H50-R114 PolarHBondContact CD2-NH1 2.99Å; H50-R114 PolarHBondContact NE2-NH1 3.33Å; H50-R114 PolarHBondContact NE2-NH2 3.48Å; D110-R114 WeakPolarHBondContact O-CG 3.39Å; D110-R114 PolarHBondContact O-N 2.78Å; D111-R114 PolarHBondContact O-N 3.35Å; L112-R114 VanDerWaalsContact C-N 3.29Å; L112-R114 PolarHBondContact O-N 3.07Å; R114-H116 VanDerWaalsContact C-N 3.31Å; R114-H116 PolarHBondContact O-N 2.77Å; R114-S117 WeakPolarHBondContact O-CB 3.41Å; R114-S117 PolarHBondContact O-N 2.72Å; R114-S117 VanDerWaalsContact O-N 3.16Å; R114-D118 PolarHBondContact O-N 2.84Å
115	Y	84.8	Confident	83.9	Confident	109 Å²	109	76.6 Å²	76.6	43%	0.427	38%	0.382	S	S	.	.	H	α-helix	trans	-59.2	-39.8	176.4	175.6	-107.9	0	0	0	112.6	D111 L112 D118 K119	D111-Y115 PolarHBondContact O-N 2.92Å; L112-Y115 WeakPolarHBondContact O-CB 3.38Å; L112-Y115 PolarHBondContact O-N 2.66Å; L112-Y115 VanDerWaalsContact O-N 3.15Å; Y115-D118 PolarHBondContact O-N 3.35Å; Y115-K119 WeakPolarHBondContact O-CB 3.07Å; Y115-K119 PolarHBondContact O-N 2.91Å
116	H	87.7	Confident	83.9	Confident	107 Å²	107	71.5 Å²	71.5	50%	0.495	36%	0.355	S	S	.	.	H	α-helix	trans	-62.6	-43.5	174.7	-77.1	-71.8	0	0	0	112.2	L112 L113 R114 K119 Q120	L112-H116 PolarHBondContact O-CD2 2.96Å; L112-H116 PolarHBondContact O-N 3.26Å; L113-H116 PolarHBondContact O-N 3.42Å; R114-H116 VanDerWaalsContact C-N 3.31Å; R114-H116 PolarHBondContact O-N 2.77Å; H116-K119 PolarHBondContact O-N 2.66Å; H116-Q120 PolarHBondContact O-N 3.3Å
117	S	75.6	Confident	84.2	Confident	63 Å²	63	69.4 Å²	69.4	44%	0.441	35%	0.347	S	S	.	.	H	α-helix	trans	-62.5	-45.7	175.2	-57.6	0	0	0	0	112.3	L113 R114 K119 Q120 L121	L113-S117 PolarHBondContact O-N 3.24Å; L113-S117 PolarHBondContact O-OG 3.09Å; R114-S117 WeakPolarHBondContact O-CB 3.41Å; R114-S117 PolarHBondContact O-N 2.72Å; R114-S117 VanDerWaalsContact O-N 3.16Å; S117-K119 VanDerWaalsContact C-N 3.33Å; S117-K119 PolarHBondContact O-N 3.11Å; S117-Q120 PolarHBondContact O-N 3.34Å; S117-L121 PolarHBondContact O-N 2.93Å
118	D	83.1	Confident	84.6	Confident	8 Å²	8	69 Å²	69	4%	0.043	34%	0.344	C	S	.	.	H	α-helix	trans	-60.2	-42.1	175.5	-76.5	-16.8	0	0	0	111.5	C47 S48 R114 Y115 Q120 L121 N122	C47-D118 VanDerWaalsContact CA-OD2 3.29Å; C47-D118 WeakPolarHBondContact CA-OD2 3.37Å; S48-D118 WeakPolarHBondContact CB-OD1 3.3Å; S48-D118 PolarHBondContact N-OD1 2.96Å; S48-D118 PolarHBondContact N-OD2 3.39Å; S48-D118 PolarHBondContact OG-OD1 2.79Å; S48-D118 PolarHBondContact OG-OD2 3.03Å; R114-D118 PolarHBondContact O-N 2.84Å; Y115-D118 PolarHBondContact O-N 3.35Å; D118-Q120 VanDerWaalsContact C-N 3.33Å; D118-Q120 PolarHBondContact O-N 2.67Å; D118-L121 PolarHBondContact O-N 2.94Å; D118-N122 VanDerWaalsContact O-CB 3.29Å; D118-N122 WeakPolarHBondContact O-CB 3.43Å; D118-N122 VanDerWaalsContact O-CG 3.3Å; D118-N122 PolarHBondContact O-N 2.81Å; D118-N122 PolarHBondContact O-ND2 2.88Å
119	K	87.7	Confident	84.6	Confident	130 Å²	130	68.7 Å²	68.7	57%	0.565	34%	0.339	S	S	*	.	H	α-helix	trans	-61.8	-41.7	-179.3	-174.9	179.1	177.1	-174.8	0	111.3	Y115 H116 S117 S123	Y115-K119 WeakPolarHBondContact O-CB 3.07Å; Y115-K119 PolarHBondContact O-N 2.91Å; H116-K119 PolarHBondContact O-N 2.66Å; S117-K119 VanDerWaalsContact C-N 3.33Å; S117-K119 PolarHBondContact O-N 3.11Å; K119-S123 VanDerWaalsContact O-CB 3.29Å; K119-S123 WeakPolarHBondContact O-CB 3.22Å; K119-S123 PolarHBondContact O-N 3.26Å; K119-S123 PolarHBondContact O-OG 2.65Å
120	Q	85.6	Confident	84.4	Confident	135 Å²	135	66.8 Å²	66.8	63%	0.631	33%	0.33	S	S	*	.	H	α-helix	trans	-59.9	-55.7	175.6	-71.1	174.5	-10.2	0	0	110.9	H116 S117 D118 N122 S123	H116-Q120 PolarHBondContact O-N 3.3Å; S117-Q120 PolarHBondContact O-N 3.34Å; D118-Q120 VanDerWaalsContact C-N 3.33Å; D118-Q120 PolarHBondContact O-N 2.67Å; Q120-N122 PolarHBondContact O-N 3.27Å; Q120-S123 PolarHBondContact O-N 3.13Å; Q120-S123 PolarHBondContact O-OG 2.87Å
121	L	79.7	Confident	84.7	Confident	95 Å²	95	63.6 Å²	63.6	50%	0.497	31%	0.313	S	S	.	.	H	α-helix	trans	-59.3	-42.6	-178.9	-66.7	173.6	0	0	0	113.1	I46 S117 D118 S123	I46-L121 HydrophobicContact CD1-CB 3.87Å; I46-L121 HydrophobicContact CD1-CD1 4.37Å; S117-L121 PolarHBondContact O-N 2.93Å; D118-L121 PolarHBondContact O-N 2.94Å; L121-S123 PolarHBondContact O-N 3.33Å
122	N	88.1	Confident	84.5	Confident	16 Å²	16	64.2 Å²	64.2	9%	0.086	32%	0.316	C	S	.	.	H	α-helix	trans	-67.1	-17.3	178.3	-77.2	-56.1	0	0	0	113.9	R45 I46 D118 Q120 S146	R45-N122 WeakPolarHBondContact CA-OD1 3.39Å; I46-N122 PolarHBondContact N-OD1 3.35Å; I46-N122 PolarHBondContact O-ND2 3.17Å; D118-N122 VanDerWaalsContact O-CB 3.29Å; D118-N122 WeakPolarHBondContact O-CB 3.43Å; D118-N122 VanDerWaalsContact O-CG 3.3Å; D118-N122 PolarHBondContact O-N 2.81Å; D118-N122 PolarHBondContact O-ND2 2.88Å; Q120-N122 PolarHBondContact O-N 3.27Å; N122-S146 WeakPolarHBondContact O-CB 3.47Å; N122-S146 PolarHBondContact O-N 2.81Å; N122-S146 PolarHBondContact O-OG 2.96Å
123	S	88.5	Confident	83.9	Confident	63 Å²	63	61.5 Å²	61.5	44%	0.441	30%	0.3	S	S	.	.	H	α-helix	trans	-94.9	-12.7	-175.1	73.3	0	0	0	0	115.1	K119 Q120 L121 K125	K119-S123 VanDerWaalsContact O-CB 3.29Å; K119-S123 WeakPolarHBondContact O-CB 3.22Å; K119-S123 PolarHBondContact O-N 3.26Å; K119-S123 PolarHBondContact O-OG 2.65Å; Q120-S123 PolarHBondContact O-N 3.13Å; Q120-S123 PolarHBondContact O-OG 2.87Å; L121-S123 PolarHBondContact O-N 3.33Å; S123-K125 PolarHBondContact O-N 3.26Å
124	M	85.4	Confident	83.4	Confident	89 Å²	89	64.1 Å²	64.1	44%	0.438	31%	0.314	S	S	.	.			trans	-53.9	134.7	177.3	-64.1	-63.3	-71.9	0	0	111.3	Y126 K144 A145	M124-Y126 HydrophobicContact CB-CE2 3.86Å; M124-K144 CarbonylContact O-C 3.49Å; M124-K144 WeakPolarHBondContact O-CA 3.45Å; M124-A145 HydrophobicContact CB-CB 4.36Å; M124-A145 WeakPolarHBondContact O-CB 3.3Å; M124-A145 PolarHBondContact O-N 3.22Å
125	K	89.3	Confident	83.1	Confident	119 Å²	119	66.9 Å²	66.9	52%	0.517	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	144.4	178.8	-64.6	-175.4	177.7	-171.6	0	111.3	S123 Y142 K143 Q160	S123-K125 PolarHBondContact O-N 3.26Å; K125-Y142 HydrophobicContact CB-CD1 4.11Å; K125-K143 WeakPolarHBondContact CA-O 3.31Å; K125-Q160 PolarHBondContact O-NE2 3.26Å
126	Y	88.9	Confident	82.5	Confident	5 Å²	5	64.7 Å²	64.7	2%	0.02	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	150.4	172.8	-66.5	-94.6	0	0	0	109.6	M124 Y142 K143 A145 L148 I154 Q160 S161 P163	M124-Y126 HydrophobicContact CB-CE2 3.86Å; Y126-Y142 CarbonylContact O-C 3.56Å; Y126-Y142 WeakPolarHBondContact O-CA 3.27Å; Y126-K143 PolarHBondContact N-O 3.29Å; Y126-K143 PolarHBondContact O-N 3.09Å; Y126-A145 HydrophobicContact CD2-CB 4.16Å; Y126-A145 HydrophobicContact CE2-CB 3.89Å; Y126-L148 HydrophobicContact CD2-CD1 4.38Å; Y126-I154 HydrophobicContact CD1-CD1 4.4Å; Y126-Q160 VanDerWaalsContact CD1-NE2 3.34Å; Y126-Q160 HydrophobicContact CE1-CG 3.88Å; Y126-S161 WeakPolarHBondContact CE1-O 3.44Å; Y126-S161 PolarHBondContact OH-O 3.18Å; Y126-P163 HydrophobicContact CD1-CG 3.96Å; Y126-P163 HydrophobicContact CD2-CB 4.12Å; Y126-P163 HydrophobicContact CD2-CG 3.96Å; Y126-P163 HydrophobicContact CE1-CB 4.29Å; Y126-P163 HydrophobicContact CE1-CG 3.75Å; Y126-P163 HydrophobicContact CE2-CB 3.59Å; Y126-P163 HydrophobicContact CE2-CG 3.78Å; Y126-P163 HydrophobicContact CG-CG 4.06Å
127	L	88.8	Confident	81.8	Confident	7 Å²	7	59.6 Å²	59.6	4%	0.037	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	123.8	173.1	-79	153	0	0	0	109.2	W140 Y142 I154 C155 F157 M209	L127-W140 HydrophobicContact CB-CE3 3.96Å; L127-W140 HydrophobicContact CB-CZ3 4.43Å; L127-W140 HydrophobicContact CD2-CB 3.96Å; L127-Y142 HydrophobicContact CD1-CE1 4.19Å; L127-Y142 HydrophobicContact CD2-CD1 4.29Å; L127-Y142 HydrophobicContact CD2-CD2 4.19Å; L127-Y142 HydrophobicContact CD2-CE1 3.98Å; L127-Y142 HydrophobicContact CD2-CE2 3.86Å; L127-Y142 HydrophobicContact CD2-CG 4.39Å; L127-Y142 HydrophobicContact CG-CD1 4.07Å; L127-Y142 HydrophobicContact CG-CE1 3.62Å; L127-Y142 HydrophobicContact CG-CE2 4.41Å; L127-I154 CarbonylContact O-C 3.59Å; L127-I154 WeakPolarHBondContact O-CA 3.39Å; L127-I154 WeakPolarHBondContact O-CB 3.45Å; L127-C155 HydrophobicContact CB-CB 4.07Å; L127-C155 PolarHBondContact O-N 2.81Å; L127-F157 HydrophobicContact CD1-CE2 3.38Å; L127-F157 HydrophobicContact CD1-CZ 3.5Å; L127-F157 VanDerWaalsContact CD1-CZ 3.5Å; L127-M209 HydrophobicContact CD1-CE 3.8Å; L127-M209 HydrophobicContact CD2-CE 3.96Å
128	L	89.1	Confident	81.7	Confident	12 Å²	12	57.7 Å²	57.7	6%	0.063	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	138.2	173.9	172.3	147.8	0	0	0	109.8	N130 W140 I141 K143 D152 I153 I154	L128-N130 HydrophobicContact CD2-CB 3.77Å; L128-N130 PolarHBondContact O-N 3.48Å; L128-W140 CarbonylContact O-C 3.1Å; L128-W140 WeakPolarHBondContact O-CA 3.19Å; L128-I141 PolarHBondContact N-O 2.69Å; L128-I141 PolarHBondContact O-N 2.67Å; L128-K143 HydrophobicContact CB-CB 4.32Å; L128-K143 HydrophobicContact CB-CD 4.47Å; L128-K143 HydrophobicContact CD1-CD 3.56Å; L128-D152 HydrophobicContact CD1-CB 3.62Å; L128-D152 VanDerWaalsContact CD1-OD2 3.28Å; L128-D152 WeakPolarHBondContact CD1-OD2 3.34Å; L128-I153 WeakPolarHBondContact CA-O 3.39Å; L128-I154 HydrophobicContact CB-CG2 4.42Å
129	L	85.9	Confident	81.5	Confident	7 Å²	7	59.8 Å²	59.8	4%	0.037	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	110.9	171.6	-171.2	62.1	0	0	0	109.3	I138 W140 I153 Y204	L129-I138 HydrophobicContact CD1-CG2 3.38Å; L129-I138 HydrophobicContact CG-CG2 4.08Å; L129-W140 HydrophobicContact CB-CE3 4.09Å; L129-W140 HydrophobicContact CB-CH2 3.96Å; L129-W140 HydrophobicContact CB-CZ2 4.41Å; L129-W140 HydrophobicContact CB-CZ3 3.78Å; L129-W140 HydrophobicContact CD1-CD2 3.99Å; L129-W140 HydrophobicContact CD1-CE3 4.38Å; L129-W140 HydrophobicContact CD1-CG 4.47Å; L129-W140 HydrophobicContact CD1-CH2 4.31Å; L129-W140 HydrophobicContact CD1-CZ2 3.9Å; L129-I153 HydrophobicContact CB-CB 4.19Å; L129-I153 HydrophobicContact CB-CG2 4.26Å; L129-I153 HydrophobicContact CD2-CG2 4.41Å; L129-I153 PolarHBondContact N-O 2.71Å; L129-Y204 HydrophobicContact CD2-CE1 4.24Å
130	N	83.3	Confident	81.3	Confident	55 Å²	55	56.5 Å²	56.5	29%	0.294	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	118.6	-179.8	-174	85.8	0	0	0	110.2	L128 K139 I141	L128-N130 HydrophobicContact CD2-CB 3.77Å; L128-N130 PolarHBondContact O-N 3.48Å; N130-K139 HydrophobicContact CB-CG 4.32Å; N130-K139 PolarHBondContact N-O 3.02Å; N130-K139 PolarHBondContact O-N 3.25Å; N130-I141 HydrophobicContact CB-CD1 3.54Å; N130-I141 HydrophobicContact CB-CG1 4.02Å
131	I	79.7	Confident	81.3	Confident	8 Å²	8	53.3 Å²	53.3	4%	0.041	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	119.4	171.3	-54.6	-179.2	0	0	0	107.9	H27 F133 I138 F239 L246	H27-I131 HydrophobicContact CB-CD1 4.42Å; I131-F133 HydrophobicContact CB-CD2 4.48Å; I131-F133 HydrophobicContact CB-CE2 4.16Å; I131-F133 HydrophobicContact CG2-CD2 3.78Å; I131-F133 HydrophobicContact CG2-CE2 3.52Å; I131-F133 HydrophobicContact CG2-CZ 4.44Å; I131-I138 HydrophobicContact CD1-CD1 4.43Å; I131-I138 HydrophobicContact CG1-CD1 4.21Å; I131-I138 HydrophobicContact CG1-CG1 4.21Å; I131-I138 HydrophobicContact CG2-CG1 4.37Å; I131-F239 HydrophobicContact CG2-CE2 3.94Å; I131-F239 HydrophobicContact CG2-CZ 3.78Å; I131-L246 HydrophobicContact CD1-CD1 4.07Å
132	D	76.8	Confident	81.7	Confident	32 Å²	32	55.7 Å²	55.7	17%	0.171	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	103.8	176.2	-165.5	-33.2	0	0	0	108.2	D134 R135 K136 S137 K139	D132-D134 VanDerWaalsContact C-N 3.35Å; D132-D134 PolarHBondContact OD1-N 3.01Å; D132-R135 HydrophobicContact CB-CB 4.16Å; D132-R135 PolarHBondContact OD1-N 3.04Å; D132-R135 VanDerWaalsContact OD1-N 3.14Å; D132-R135 WeakPolarHBondContact OD2-CD 3.33Å; D132-K136 WeakPolarHBondContact O-CA 3.47Å; D132-K136 PolarHBondContact O-N 2.83Å; D132-S137 PolarHBondContact N-O 2.91Å; D132-S137 PolarHBondContact O-N 3.39Å; D132-S137 VanDerWaalsContact O-N 3.13Å; D132-K139 IonicContact OD2-NZ 2.71Å
133	F	74.7	Confident	81.7	Confident	46 Å²	46	57.3 Å²	57.3	20%	0.202	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-32.4	-177.9	-83.4	-112.9	0	0	0	112	Y29 I131 F239 I243	Y29-F133 HydrophobicContact CD1-CE2 4.35Å; Y29-F133 HydrophobicContact CD1-CZ 4.37Å; Y29-F133 AromaticContact CD2-CE2 3.72Å; Y29-F133 HydrophobicContact CD2-CE2 3.72Å; Y29-F133 AromaticContact CD2-CZ 3.89Å; Y29-F133 HydrophobicContact CD2-CZ 3.89Å; Y29-F133 HydrophobicContact CE1-CD2 4.2Å; Y29-F133 AromaticContact CE1-CE2 3.87Å; Y29-F133 HydrophobicContact CE1-CE2 3.87Å; Y29-F133 HydrophobicContact CE1-CZ 4.31Å; Y29-F133 HydrophobicContact CE2-CD2 4.08Å; Y29-F133 AromaticContact CE2-CE2 3.24Å; Y29-F133 HydrophobicContact CE2-CE2 3.24Å; Y29-F133 AromaticContact CE2-CZ 3.91Å; Y29-F133 HydrophobicContact CE2-CZ 3.91Å; Y29-F133 HydrophobicContact CG-CE2 4.27Å; Y29-F133 HydrophobicContact CG-CZ 4.15Å; Y29-F133 AromaticContact CZ-CD2 3.69Å; Y29-F133 AromaticContact CZ-CE2 3.3Å; Y29-F133 WeakPolarHBondContact OH-CD2 3.44Å; I131-F133 HydrophobicContact CB-CD2 4.48Å; I131-F133 HydrophobicContact CB-CE2 4.16Å; I131-F133 HydrophobicContact CG2-CD2 3.78Å; I131-F133 HydrophobicContact CG2-CE2 3.52Å; I131-F133 HydrophobicContact CG2-CZ 4.44Å; F133-F239 HydrophobicContact CD1-CE1 4.39Å; F133-F239 HydrophobicContact CG-CZ 4.5Å; F133-I243 HydrophobicContact CE1-CD1 3.73Å; F133-I243 HydrophobicContact CZ-CD1 3.75Å
134	D	73.1	Confident	81.9	Confident	161 Å²	161	59.7 Å²	59.7	86%	0.861	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-37.2	-179.7	-59.2	-26.2	0	0	0	110.6	D132	D132-D134 VanDerWaalsContact C-N 3.35Å; D132-D134 PolarHBondContact OD1-N 3.01Å
135	R	69.9	Low	82.1	Confident	138 Å²	138	55.8 Å²	55.8	52%	0.521	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-7.4	177.3	-64.5	-172.8	174.4	-150.5	-3.2	115.2	D132 S137 E231	D132-R135 HydrophobicContact CB-CB 4.16Å; D132-R135 PolarHBondContact OD1-N 3.04Å; D132-R135 VanDerWaalsContact OD1-N 3.14Å; D132-R135 WeakPolarHBondContact OD2-CD 3.33Å; R135-S137 PolarHBondContact O-N 3.11Å; R135-E231 WeakPolarHBondContact CD-OE1 3.47Å; R135-E231 IonicContact NH1-OE1 2.66Å; R135-E231 IonicContact NH1-OE2 3.7Å; R135-E231 PolarHBondContact NH1-OE2 3.07Å; R135-E231 VanDerWaalsContact NH1-OE2 3.07Å
136	K	70.7	Confident	82.2	Confident	62 Å²	62	51.5 Å²	51.5	27%	0.27	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	49	40.7	-170.2	-61.9	174.1	174.3	163.9	0	112.3	D132 F234 E236 F239	D132-K136 WeakPolarHBondContact O-CA 3.47Å; D132-K136 PolarHBondContact O-N 2.83Å; K136-F234 PolarHBondContact O-N 3.47Å; K136-E236 IonicContact NZ-OE1 3.66Å; K136-E236 PolarHBondContact NZ-OE1 3.25Å; K136-E236 IonicContact NZ-OE2 3.63Å; K136-E236 PolarHBondContact NZ-OE2 3.22Å; K136-F239 HydrophobicContact CB-CB 4.41Å; K136-F239 HydrophobicContact CB-CD1 3.96Å; K136-F239 HydrophobicContact CB-CD2 4.04Å; K136-F239 HydrophobicContact CB-CE1 4.16Å; K136-F239 HydrophobicContact CB-CE2 4.26Å; K136-F239 HydrophobicContact CB-CG 3.89Å; K136-F239 HydrophobicContact CB-CZ 4.32Å; K136-F239 HydrophobicContact CD-CD1 4.38Å; K136-F239 HydrophobicContact CG-CD1 3.73Å; K136-F239 HydrophobicContact CG-CE1 3.87Å; K136-F239 HydrophobicContact CG-CG 4.15Å; K136-F239 HydrophobicContact CG-CZ 4.46Å
137	S	73.5	Confident	82.3	Confident	0 Å²	0	56 Å²	56	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	148	-175.1	78	0	0	0	0	112.2	D132 R135 E231	D132-S137 PolarHBondContact N-O 2.91Å; D132-S137 PolarHBondContact O-N 3.39Å; D132-S137 VanDerWaalsContact O-N 3.13Å; R135-S137 PolarHBondContact O-N 3.11Å; S137-E231 PolarHBondContact OG-OE1 2.87Å
138	I	74.7	Confident	82.4	Confident	23 Å²	23	55.7 Å²	55.7	12%	0.118	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.6	175.5	-57	-169.9	0	0	0	108.4	L129 I131 F234 F239 M242 L246	L129-I138 HydrophobicContact CD1-CG2 3.38Å; L129-I138 HydrophobicContact CG-CG2 4.08Å; I131-I138 HydrophobicContact CD1-CD1 4.43Å; I131-I138 HydrophobicContact CG1-CD1 4.21Å; I131-I138 HydrophobicContact CG1-CG1 4.21Å; I131-I138 HydrophobicContact CG2-CG1 4.37Å; I138-F234 HydrophobicContact CG1-CE2 4.45Å; I138-F239 HydrophobicContact CG1-CE2 4.49Å; I138-M242 HydrophobicContact CD1-CG 3.96Å; I138-M242 HydrophobicContact CD1-SD 3.46Å; I138-M242 WeakPolarHBondContact CD1-SD 3.37Å; I138-M242 HydrophobicContact CG1-SD 4.4Å; I138-L246 HydrophobicContact CD1-CD1 3.86Å
139	K	79.2	Confident	82.5	Confident	53 Å²	53	58.4 Å²	58.4	23%	0.23	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	145.7	-178.1	57.8	-176.4	164.3	-153.8	0	112.5	N130 D132 I141 E231	N130-K139 HydrophobicContact CB-CG 4.32Å; N130-K139 PolarHBondContact N-O 3.02Å; N130-K139 PolarHBondContact O-N 3.25Å; D132-K139 IonicContact OD2-NZ 2.71Å; K139-I141 HydrophobicContact CD-CD1 4.13Å; K139-I141 HydrophobicContact CD-CG1 4.31Å; K139-I141 HydrophobicContact CG-CD1 4.06Å; K139-I141 HydrophobicContact CG-CG1 3.99Å; K139-E231 IonicContact NZ-OE1 3.04Å
140	W	82.8	Confident	82.8	Confident	60 Å²	60	58.3 Å²	58.3	23%	0.227	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	125.3	171.5	-72.6	101.5	0	0	0	109.9	L127 L128 L129 C155 M209 I313	L127-W140 HydrophobicContact CB-CE3 3.96Å; L127-W140 HydrophobicContact CB-CZ3 4.43Å; L127-W140 HydrophobicContact CD2-CB 3.96Å; L128-W140 CarbonylContact O-C 3.1Å; L128-W140 WeakPolarHBondContact O-CA 3.19Å; L129-W140 HydrophobicContact CB-CE3 4.09Å; L129-W140 HydrophobicContact CB-CH2 3.96Å; L129-W140 HydrophobicContact CB-CZ2 4.41Å; L129-W140 HydrophobicContact CB-CZ3 3.78Å; L129-W140 HydrophobicContact CD1-CD2 3.99Å; L129-W140 HydrophobicContact CD1-CE3 4.38Å; L129-W140 HydrophobicContact CD1-CG 4.47Å; L129-W140 HydrophobicContact CD1-CH2 4.31Å; L129-W140 HydrophobicContact CD1-CZ2 3.9Å; W140-C155 HydrophobicContact CE3-CB 4.31Å; W140-C155 HydrophobicContact CH2-CB 3.78Å; W140-C155 HydrophobicContact CZ3-CB 3.6Å; W140-M209 HydrophobicContact CB-CE 4.31Å; W140-M209 HydrophobicContact CG-CE 4.22Å; W140-I313 HydrophobicContact CH2-CD1 4.29Å; W140-I313 HydrophobicContact CH2-CG1 4.23Å; W140-I313 HydrophobicContact CH2-CG2 4.35Å; W140-I313 HydrophobicContact CZ2-CD1 4.21Å
141	I	85.6	Confident	83	Confident	69 Å²	69	55.7 Å²	55.7	35%	0.354	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	134.5	-176.5	-50.7	179.8	0	0	0	110	L128 N130 K139 K143	L128-I141 PolarHBondContact N-O 2.69Å; L128-I141 PolarHBondContact O-N 2.67Å; N130-I141 HydrophobicContact CB-CD1 3.54Å; N130-I141 HydrophobicContact CB-CG1 4.02Å; K139-I141 HydrophobicContact CD-CD1 4.13Å; K139-I141 HydrophobicContact CD-CG1 4.31Å; K139-I141 HydrophobicContact CG-CD1 4.06Å; K139-I141 HydrophobicContact CG-CG1 3.99Å; I141-K143 PolarHBondContact O-N 3.48Å
142	Y	87.3	Confident	83.5	Confident	144 Å²	144	56.1 Å²	56.1	57%	0.565	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	117.7	171.9	-77.8	-76.6	0	0	0	112.2	K125 Y126 L127	K125-Y142 HydrophobicContact CB-CD1 4.11Å; Y126-Y142 CarbonylContact O-C 3.56Å; Y126-Y142 WeakPolarHBondContact O-CA 3.27Å; L127-Y142 HydrophobicContact CD1-CE1 4.19Å; L127-Y142 HydrophobicContact CD2-CD1 4.29Å; L127-Y142 HydrophobicContact CD2-CD2 4.19Å; L127-Y142 HydrophobicContact CD2-CE1 3.98Å; L127-Y142 HydrophobicContact CD2-CE2 3.86Å; L127-Y142 HydrophobicContact CD2-CG 4.39Å; L127-Y142 HydrophobicContact CG-CD1 4.07Å; L127-Y142 HydrophobicContact CG-CE1 3.62Å; L127-Y142 HydrophobicContact CG-CE2 4.41Å
143	K	89.7	Confident	84.2	Confident	51 Å²	51	54.6 Å²	54.6	22%	0.222	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	142.7	178.9	-161.6	170.5	177.7	-161.8	0	110.5	K125 Y126 L128 I141 L147 L148 D152	K125-K143 WeakPolarHBondContact CA-O 3.31Å; Y126-K143 PolarHBondContact N-O 3.29Å; Y126-K143 PolarHBondContact O-N 3.09Å; L128-K143 HydrophobicContact CB-CB 4.32Å; L128-K143 HydrophobicContact CB-CD 4.47Å; L128-K143 HydrophobicContact CD1-CD 3.56Å; I141-K143 PolarHBondContact O-N 3.48Å; K143-L147 WeakPolarHBondContact CE-O 3.39Å; K143-L147 HydrophobicContact CG-CB 3.98Å; K143-L147 PolarHBondContact NZ-O 3.33Å; K143-L147 VanDerWaalsContact NZ-O 3.15Å; K143-L148 HydrophobicContact CB-CD2 4.37Å; K143-L148 HydrophobicContact CD-CD2 4.22Å; K143-L148 HydrophobicContact CG-CD2 4.43Å; K143-D152 IonicContact NZ-OD1 2.66Å; K143-D152 IonicContact NZ-OD2 3.3Å; K143-D152 PolarHBondContact NZ-OD2 3.16Å
144	K	92.1	Very high	85	Confident	113 Å²	113	52.4 Å²	52.4	49%	0.491	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	143	176.4	-66	175.4	-177.1	169.4	0	110	M124 S146 L147	M124-K144 CarbonylContact O-C 3.49Å; M124-K144 WeakPolarHBondContact O-CA 3.45Å; K144-S146 PolarHBondContact O-N 3.08Å; K144-S146 VanDerWaalsContact O-N 3.12Å; K144-L147 HydrophobicContact CB-CD1 4.2Å; K144-L147 HydrophobicContact CB-CG 4.34Å; K144-L147 WeakPolarHBondContact O-CB 3.44Å; K144-L147 PolarHBondContact O-N 2.94Å
145	A	89.1	Confident	85.9	Confident	6 Å²	6	45 Å²	45	5%	0.05	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-51.8	-39.3	-178.2	0	0	0	0	0	113.2	N44 M124 Y126 L147 L148 P163	N44-A145 WeakPolarHBondContact CB-O 3.38Å; N44-A145 PolarHBondContact ND2-O 2.64Å; M124-A145 HydrophobicContact CB-CB 4.36Å; M124-A145 WeakPolarHBondContact O-CB 3.3Å; M124-A145 PolarHBondContact O-N 3.22Å; Y126-A145 HydrophobicContact CD2-CB 4.16Å; Y126-A145 HydrophobicContact CE2-CB 3.89Å; A145-L147 PolarHBondContact O-N 3.06Å; A145-L148 WeakPolarHBondContact O-CB 3.42Å; A145-L148 PolarHBondContact O-N 3.16Å; A145-P163 HydrophobicContact CB-CB 4.09Å
146	S	90.7	Very high	86.8	Confident	30 Å²	30	38.5 Å²	38.5	21%	0.21	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-68.3	-15.9	178.3	47.5	0	0	0	0	115.2	N122 K144	N122-S146 WeakPolarHBondContact O-CB 3.47Å; N122-S146 PolarHBondContact O-N 2.81Å; N122-S146 PolarHBondContact O-OG 2.96Å; K144-S146 PolarHBondContact O-N 3.08Å; K144-S146 VanDerWaalsContact O-N 3.12Å
147	L	91.6	Very high	87.7	Confident	100 Å²	100	39.3 Å²	39.3	52%	0.524	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-99	-5.8	178.5	-61.6	175	0	0	0	112.9	K143 K144 A145 N149	K143-L147 WeakPolarHBondContact CE-O 3.39Å; K143-L147 HydrophobicContact CG-CB 3.98Å; K143-L147 PolarHBondContact NZ-O 3.33Å; K143-L147 VanDerWaalsContact NZ-O 3.15Å; K144-L147 HydrophobicContact CB-CD1 4.2Å; K144-L147 HydrophobicContact CB-CG 4.34Å; K144-L147 WeakPolarHBondContact O-CB 3.44Å; K144-L147 PolarHBondContact O-N 2.94Å; A145-L147 PolarHBondContact O-N 3.06Å; L147-N149 PolarHBondContact O-N 2.81Å
148	L	91.3	Very high	88.3	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.199	C	C	.	.			trans	-65	131.7	176.2	-63.1	177	0	0	0	110.2	N44 Y126 K143 A145 I154 P163	N44-L148 HydrophobicContact CB-CB 4.36Å; N44-L148 VanDerWaalsContact CB-O 3.31Å; N44-L148 WeakPolarHBondContact CB-O 3.43Å; Y126-L148 HydrophobicContact CD2-CD1 4.38Å; K143-L148 HydrophobicContact CB-CD2 4.37Å; K143-L148 HydrophobicContact CD-CD2 4.22Å; K143-L148 HydrophobicContact CG-CD2 4.43Å; A145-L148 WeakPolarHBondContact O-CB 3.42Å; A145-L148 PolarHBondContact O-N 3.16Å; L148-I154 HydrophobicContact CD1-CD1 4.2Å; L148-I154 HydrophobicContact CD2-CG2 3.78Å; L148-P163 HydrophobicContact CD1-CB 3.91Å; L148-P163 HydrophobicContact CD1-CG 3.48Å; L148-P163 VanDerWaalsContact CD1-CG 3.48Å
149	N	90.9	Very high	88.6	Confident	68 Å²	68	45.4 Å²	45.4	36%	0.364	22%	0.217	S	C	.	.			trans	-109.8	160.4	176.5	-66.3	-33.6	0	0	0	110	L147 D152 V316	L147-N149 PolarHBondContact O-N 2.81Å; N149-D152 PolarHBondContact N-OD2 2.86Å; N149-D152 VanDerWaalsContact O-CB 3.27Å; N149-D152 WeakPolarHBondContact O-CB 3.35Å; N149-D152 PolarHBondContact O-N 2.97Å; N149-V316 WeakPolarHBondContact O-CB 3.2Å; N149-V316 WeakPolarHBondContact O-CG1 3.48Å
150	V	91.3	Very high	88.8	Confident	5 Å²	5	44.7 Å²	44.7	3%	0.03	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	144.8	165.8	179.5	0	0	0	0	108.9	R22 V24 N28 Y41 D152 I317 T319	R22-V150 VanDerWaalsContact NH2-CG2 3.34Å; V24-V150 HydrophobicContact CB-CG1 4.25Å; V24-V150 HydrophobicContact CG1-CG1 3.69Å; V24-V150 HydrophobicContact CG2-CG1 3.57Å; N28-V150 PolarHBondContact ND2-O 3.46Å; N28-V150 PolarHBondContact OD1-O 3.1Å; Y41-V150 HydrophobicContact CD2-CB 3.57Å; Y41-V150 HydrophobicContact CD2-CG1 3.62Å; Y41-V150 HydrophobicContact CD2-CG2 3.9Å; Y41-V150 HydrophobicContact CE2-CB 4.27Å; Y41-V150 HydrophobicContact CE2-CG1 3.8Å; Y41-V150 HydrophobicContact CG-CB 3.98Å; Y41-V150 HydrophobicContact CG-CG1 4.22Å; Y41-V150 HydrophobicContact CG-CG2 3.75Å; V150-D152 PolarHBondContact O-N 3.14Å; V150-I317 WeakPolarHBondContact CG1-O 3.35Å; V150-T319 HydrophobicContact CG2-CG2 3.86Å; V150-T319 WeakPolarHBondContact CG2-OG1 3.38Å
151	G	88.5	Confident	88.9	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	-18.7	-175.6	0	0	0	0	0	114.9	Y25 H27 L315 V316	Y25-G151 WeakPolarHBondContact O-CA 3.3Å; H27-G151 WeakPolarHBondContact CA-O 3.38Å; H27-G151 PolarHBondContact N-O 2.75Å; G151-L315 WeakPolarHBondContact O-CD1 3.41Å; G151-V316 PolarHBondContact N-O 3.29Å
152	D	90.9	Very high	89.1	Confident	17 Å²	17	40.8 Å²	40.8	9%	0.091	20%	0.202	C	C	.	.			trans	-61.6	141.1	172.1	-70.2	-5.1	0	0	0	109.8	L128 K143 N149 V150 V316	L128-D152 HydrophobicContact CD1-CB 3.62Å; L128-D152 VanDerWaalsContact CD1-OD2 3.28Å; L128-D152 WeakPolarHBondContact CD1-OD2 3.34Å; K143-D152 IonicContact NZ-OD1 2.66Å; K143-D152 IonicContact NZ-OD2 3.3Å; K143-D152 PolarHBondContact NZ-OD2 3.16Å; N149-D152 PolarHBondContact N-OD2 2.86Å; N149-D152 VanDerWaalsContact O-CB 3.27Å; N149-D152 WeakPolarHBondContact O-CB 3.35Å; N149-D152 PolarHBondContact O-N 2.97Å; V150-D152 PolarHBondContact O-N 3.14Å; D152-V316 HydrophobicContact CB-CG2 4.17Å; D152-V316 VanDerWaalsContact O-CG2 3.31Å; D152-V316 WeakPolarHBondContact O-CG2 3.37Å; D152-V316 PolarHBondContact O-N 3.25Å
153	I	91.2	Very high	89.3	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	130	169.8	-61.9	-166.1	0	0	0	108.8	A26 H27 L128 L129 L169 Y204 I313 L315	A26-I153 HydrophobicContact CB-CD1 4.24Å; H27-I153 WeakPolarHBondContact CE1-CD1 3.37Å; L128-I153 WeakPolarHBondContact CA-O 3.39Å; L129-I153 HydrophobicContact CB-CB 4.19Å; L129-I153 HydrophobicContact CB-CG2 4.26Å; L129-I153 HydrophobicContact CD2-CG2 4.41Å; L129-I153 PolarHBondContact N-O 2.71Å; I153-L169 HydrophobicContact CD1-CD1 3.84Å; I153-Y204 HydrophobicContact CD1-CE1 4.22Å; I153-Y204 WeakPolarHBondContact CD1-OH 3.12Å; I153-I313 HydrophobicContact CG2-CG2 3.41Å; I153-I313 VanDerWaalsContact CG2-CG2 3.41Å; I153-L315 HydrophobicContact CG1-CD1 3.93Å
154	I	92	Very high	89.4	Confident	1 Å²	1	32 Å²	32	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	150.1	-178.9	68.9	172.6	0	0	0	113.1	Y126 L127 L128 L148 P163 L166 I313 G314 V316	Y126-I154 HydrophobicContact CD1-CD1 4.4Å; L127-I154 CarbonylContact O-C 3.59Å; L127-I154 WeakPolarHBondContact O-CA 3.39Å; L127-I154 WeakPolarHBondContact O-CB 3.45Å; L128-I154 HydrophobicContact CB-CG2 4.42Å; L148-I154 HydrophobicContact CD1-CD1 4.2Å; L148-I154 HydrophobicContact CD2-CG2 3.78Å; I154-P163 HydrophobicContact CD1-CG 3.73Å; I154-L166 HydrophobicContact CD1-CD1 3.89Å; I154-L166 HydrophobicContact CD1-CD2 3.78Å; I154-L166 HydrophobicContact CD1-CG 4.47Å; I154-L166 HydrophobicContact CG1-CD1 4.1Å; I154-L166 HydrophobicContact CG1-CD2 3.96Å; I154-I313 WeakPolarHBondContact O-CA 3.22Å; I154-G314 PolarHBondContact N-O 3.45Å; I154-G314 PolarHBondContact O-N 3.07Å; I154-V316 HydrophobicContact CG2-CG2 4.43Å
155	C	91.1	Very high	89.5	Confident	6 Å²	6	26.6 Å²	26.6	4%	0.041	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	135.7	168.9	-175.7	0	0	0	0	110.1	L127 W140 I312	L127-C155 HydrophobicContact CB-CB 4.07Å; L127-C155 PolarHBondContact O-N 2.81Å; W140-C155 HydrophobicContact CE3-CB 4.31Å; W140-C155 HydrophobicContact CH2-CB 3.78Å; W140-C155 HydrophobicContact CZ3-CB 3.6Å; C155-I312 WeakPolarHBondContact CA-O 3.18Å
156	C	89.4	Confident	89.7	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.007	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.2	177.5	-65.7	0	0	0	0	110	F162 Y311 I312	C156-F162 HydrophobicContact CB-CD1 4.1Å; C156-F162 HydrophobicContact CB-CE1 3.71Å; C156-Y311 VanDerWaalsContact O-CA 3.27Å; C156-Y311 WeakPolarHBondContact O-CA 3.38Å; C156-I312 HydrophobicContact CB-CG1 4.08Å; C156-I312 PolarHBondContact N-O 3.14Å; C156-I312 PolarHBondContact O-N 2.8Å
157	F	88.8	Confident	89.9	Confident	79 Å²	79	25 Å²	25	35%	0.346	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	165.9	-178.6	-64.1	-69.4	0	0	0	113.4	L127 Q160 D310	L127-F157 HydrophobicContact CD1-CE2 3.38Å; L127-F157 HydrophobicContact CD1-CZ 3.5Å; L127-F157 VanDerWaalsContact CD1-CZ 3.5Å; F157-Q160 WeakPolarHBondContact O-CB 3.27Å; F157-Q160 PolarHBondContact O-N 2.62Å; F157-D310 CarbonylContact C-O 3.49Å; F157-D310 WeakPolarHBondContact CA-O 3.11Å
158	N	85.3	Confident	89.9	Confident	57 Å²	57	20.2 Å²	20.2	31%	0.305	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	141.2	173.8	-160.6	-10.4	0	0	0	110.9	Q160 T309 D310	N158-Q160 PolarHBondContact O-N 2.8Å; N158-Q160 VanDerWaalsContact O-N 3.16Å; N158-T309 WeakPolarHBondContact CA-O 3.39Å; N158-T309 WeakPolarHBondContact CB-O 3.46Å; N158-T309 VanDerWaalsContact CG-O 3.3Å; N158-D310 PolarHBondContact N-O 3.16Å
159	N	82	Confident	89.9	Confident	93 Å²	93	20.2 Å²	20.2	50%	0.497	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	6.4	-172.6	-73.7	-69.5	0	0	0	116.8	K305 L306	N159-K305 WeakPolarHBondContact O-CE 3.15Å; N159-K305 WeakPolarHBondContact OD1-CE 3.45Å; N159-K305 PolarHBondContact OD1-NZ 3.03Å; N159-L306 VanDerWaalsContact CA-O 3.28Å; N159-L306 WeakPolarHBondContact CA-O 3.18Å; N159-L306 PolarHBondContact N-O 3.4Å
160	Q	83.1	Confident	89.9	Confident	38 Å²	38	17.8 Å²	17.8	18%	0.178	9%	0.094	C	C	.	.	P	Polyproline II helix	trans	-83.1	145.8	171	-157	170.1	9.7	0	0	111	K125 Y126 F157 N158 K305 L306	K125-Q160 PolarHBondContact O-NE2 3.26Å; Y126-Q160 VanDerWaalsContact CD1-NE2 3.34Å; Y126-Q160 HydrophobicContact CE1-CG 3.88Å; F157-Q160 WeakPolarHBondContact O-CB 3.27Å; F157-Q160 PolarHBondContact O-N 2.62Å; N158-Q160 PolarHBondContact O-N 2.8Å; N158-Q160 VanDerWaalsContact O-N 3.16Å; Q160-K305 WeakPolarHBondContact O-CA 3.41Å; Q160-L306 PolarHBondContact O-N 3.2Å
161	S	85.1	Confident	89.8	Confident	45 Å²	45	17.5 Å²	17.5	32%	0.315	9%	0.092	S	C	.	.	B	Isolated β-bridge	trans	-87.4	153.2	171	54.7	0	0	0	0	111.2	Y126 S304	Y126-S161 WeakPolarHBondContact CE1-O 3.44Å; Y126-S161 PolarHBondContact OH-O 3.18Å; S161-S304 CarbonylContact C-O 3.06Å; S161-S304 VanDerWaalsContact CA-O 3.24Å; S161-S304 WeakPolarHBondContact CA-O 3.16Å
162	F	90.7	Very high	89.6	Confident	3 Å²	3	19 Å²	19	1%	0.013	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-85.1	133.2	179.6	-56.7	-70	0	0	0	111.9	C156 L166 I180 V300 G303 S304 L306 I312	C156-F162 HydrophobicContact CB-CD1 4.1Å; C156-F162 HydrophobicContact CB-CE1 3.71Å; F162-L166 HydrophobicContact CB-CD1 4.39Å; F162-L166 HydrophobicContact CD1-CD1 3.65Å; F162-L166 HydrophobicContact CE1-CD1 4.43Å; F162-L166 HydrophobicContact CG-CD1 4.32Å; F162-I180 HydrophobicContact CE2-CG2 4.19Å; F162-V300 HydrophobicContact CB-CG1 4.39Å; F162-V300 HydrophobicContact CD1-CG1 4.23Å; F162-V300 HydrophobicContact CD2-CG1 3.21Å; F162-V300 HydrophobicContact CE1-CG1 4.37Å; F162-V300 HydrophobicContact CE2-CG1 3.39Å; F162-V300 HydrophobicContact CG-CG1 3.65Å; F162-V300 HydrophobicContact CZ-CG1 3.97Å; F162-G303 PolarHBondContact O-N 2.89Å; F162-S304 WeakPolarHBondContact CD2-O 3.48Å; F162-S304 PolarHBondContact N-O 2.94Å; F162-L306 HydrophobicContact CE1-CB 4.49Å; F162-L306 HydrophobicContact CE2-CB 4.48Å; F162-L306 HydrophobicContact CZ-CB 3.78Å; F162-L306 HydrophobicContact CZ-CD1 3.98Å; F162-L306 HydrophobicContact CZ-CG 4.44Å; F162-I312 HydrophobicContact CE1-CD1 3.57Å; F162-I312 HydrophobicContact CE1-CG1 4.22Å; F162-I312 HydrophobicContact CZ-CD1 3.91Å
163	P	89.7	Confident	89.1	Confident	10 Å²	10	20.1 Å²	20.1	7%	0.065	11%	0.107	C	C	.	.	S	Bend	trans	-83.5	-15.1	-172.9	30.6	-31.4	0	0	0	113.9	N44 Y126 A145 L148 I154 R302	N44-P163 PolarHBondContact ND2-O 3.38Å; N44-P163 PolarHBondContact OD1-O 3.41Å; Y126-P163 HydrophobicContact CD1-CG 3.96Å; Y126-P163 HydrophobicContact CD2-CB 4.12Å; Y126-P163 HydrophobicContact CD2-CG 3.96Å; Y126-P163 HydrophobicContact CE1-CB 4.29Å; Y126-P163 HydrophobicContact CE1-CG 3.75Å; Y126-P163 HydrophobicContact CE2-CB 3.59Å; Y126-P163 HydrophobicContact CE2-CG 3.78Å; Y126-P163 HydrophobicContact CG-CG 4.06Å; A145-P163 HydrophobicContact CB-CB 4.09Å; L148-P163 HydrophobicContact CD1-CB 3.91Å; L148-P163 HydrophobicContact CD1-CG 3.48Å; L148-P163 VanDerWaalsContact CD1-CG 3.48Å; I154-P163 HydrophobicContact CD1-CG 3.73Å; P163-R302 VanDerWaalsContact O-CD 3.32Å; P163-R302 WeakPolarHBondContact O-CD 3.35Å
164	C	92.3	Very high	88.2	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	-162.7	178.5	-173.1	53.9	0	0	0	0	108.5	L166 V316 Y318 T319 T323	C164-L166 VanDerWaalsContact SG-CD2 3.57Å; C164-V316 HydrophobicContact CB-CG1 4.3Å; C164-Y318 WeakPolarHBondContact CB-O 3.12Å; C164-T319 HydrophobicContact CB-CG2 4.42Å; C164-T323 HydrophobicContact CB-CG2 4.36Å
165	D	93.7	Very high	87.4	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	123.4	-179.5	-56.4	-15.3	0	0	0	109.4	L299 V300 L301 R302 I317 Y318 T323 K324	D165-L299 HydrophobicContact CB-CD1 4.36Å; D165-V300 CarbonylContact C-O 3.6Å; D165-V300 VanDerWaalsContact CA-O 3.25Å; D165-V300 WeakPolarHBondContact CA-O 3.31Å; D165-L301 HydrophobicContact CB-CD2 4.37Å; D165-R302 WeakPolarHBondContact OD1-CB 3.33Å; D165-R302 PolarHBondContact OD1-N 3.27Å; D165-I317 PolarHBondContact O-N 3.13Å; D165-Y318 HydrophobicContact CB-CD2 3.97Å; D165-Y318 HydrophobicContact CB-CG 4.47Å; D165-Y318 PolarHBondContact N-O 3.19Å; D165-Y318 PolarHBondContact O-N 3.16Å; D165-T323 VanDerWaalsContact OD2-CA 3.29Å; D165-T323 WeakPolarHBondContact OD2-CA 3.31Å; D165-K324 PolarHBondContact OD2-N 3.24Å
166	L	94.2	Very high	86.9	Confident	1 Å²	1	32 Å²	32	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.7	-167.1	-55.3	177.1	0	0	0	112.3	I154 F162 C164 L299 V300 L315 V316	I154-L166 HydrophobicContact CD1-CD1 3.89Å; I154-L166 HydrophobicContact CD1-CD2 3.78Å; I154-L166 HydrophobicContact CD1-CG 4.47Å; I154-L166 HydrophobicContact CG1-CD1 4.1Å; I154-L166 HydrophobicContact CG1-CD2 3.96Å; F162-L166 HydrophobicContact CB-CD1 4.39Å; F162-L166 HydrophobicContact CD1-CD1 3.65Å; F162-L166 HydrophobicContact CE1-CD1 4.43Å; F162-L166 HydrophobicContact CG-CD1 4.32Å; C164-L166 VanDerWaalsContact SG-CD2 3.57Å; L166-L299 CarbonylContact O-C 3.59Å; L166-L299 WeakPolarHBondContact O-CA 3.31Å; L166-V300 HydrophobicContact CB-CB 4.39Å; L166-V300 PolarHBondContact N-O 3.47Å; L166-V300 PolarHBondContact O-N 3.41Å; L166-L315 CarbonylContact C-O 3.57Å; L166-L315 WeakPolarHBondContact CA-O 3.36Å; L166-V316 HydrophobicContact CD2-CB 4.32Å; L166-V316 HydrophobicContact CD2-CG2 3.67Å
167	L	94	Very high	86.6	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	125.9	167.9	-174.6	70.3	0	0	0	110.2	L169 L197 V250 F262 L294 N298 G314 L315 I317	L167-L169 PolarHBondContact O-N 3.17Å; L167-L197 HydrophobicContact CD2-CD1 4.12Å; L167-V250 HydrophobicContact CD2-CG1 4.43Å; L167-V250 HydrophobicContact CD2-CG2 3.67Å; L167-F262 HydrophobicContact CD1-CE1 4.42Å; L167-L294 HydrophobicContact CD1-CD1 4.07Å; L167-L294 HydrophobicContact CD1-CD2 3.93Å; L167-L294 HydrophobicContact CD2-CD1 4Å; L167-L294 HydrophobicContact CD2-CD2 4.38Å; L167-N298 HydrophobicContact CD1-CB 3.86Å; L167-G314 CarbonylContact O-C 3.52Å; L167-G314 WeakPolarHBondContact O-CA 3.29Å; L167-L315 HydrophobicContact CB-CB 4.34Å; L167-L315 PolarHBondContact N-O 3.32Å; L167-L315 PolarHBondContact O-N 3.43Å; L167-I317 HydrophobicContact CB-CD1 4.12Å; L167-I317 HydrophobicContact CB-CG1 3.82Å; L167-I317 HydrophobicContact CD2-CD1 4.5Å
168	L	93	Very high	86.5	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	114.1	-175.8	-70.3	177.3	0	0	0	113.3	V178 Y194 T196 L197 N298 V300 I312	L168-V178 HydrophobicContact CD1-CB 4.02Å; L168-V178 HydrophobicContact CD1-CG2 3.85Å; L168-V178 HydrophobicContact CD2-CG1 4.47Å; L168-V178 HydrophobicContact CD2-CG2 4.03Å; L168-Y194 HydrophobicContact CD1-CG 4.47Å; L168-T196 HydrophobicContact CB-CG2 4.12Å; L168-T196 WeakPolarHBondContact O-CA 3.08Å; L168-L197 PolarHBondContact O-N 3.19Å; L168-N298 PolarHBondContact N-O 2.85Å; L168-V300 HydrophobicContact CD1-CG2 3.94Å; L168-V300 HydrophobicContact CD2-CG2 3.39Å; L168-V300 HydrophobicContact CG-CG2 3.59Å; L168-I312 HydrophobicContact CD2-CD1 3.5Å
169	L	90.5	Very high	86.5	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-43.4	178	-56.3	-176.5	0	0	0	112.6	I153 L167 L197 Q201 Y204 L248 I313 L315	I153-L169 HydrophobicContact CD1-CD1 3.84Å; L167-L169 PolarHBondContact O-N 3.17Å; L169-L197 HydrophobicContact CD2-CD1 3.83Å; L169-L197 HydrophobicContact CD2-CG 4.35Å; L169-Q201 PolarHBondContact O-N 3.15Å; L169-Y204 HydrophobicContact CB-CD2 4.21Å; L169-Y204 HydrophobicContact CB-CE2 4.24Å; L169-Y204 HydrophobicContact CD1-CE1 4.42Å; L169-Y204 HydrophobicContact CD1-CE2 3.83Å; L169-L248 HydrophobicContact CD2-CD2 3.56Å; L169-I313 PolarHBondContact N-O 2.69Å; L169-L315 HydrophobicContact CD1-CB 4.14Å; L169-L315 HydrophobicContact CG-CB 4.43Å
170	Y	90.6	Very high	86.7	Confident	17 Å²	17	25.9 Å²	25.9	7%	0.067	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	150.8	-177.4	174.6	-87.3	0	0	0	112.6	T196 Q201 A205 Y311 I312 I313	Y170-T196 VanDerWaalsContact C-CG2 3.48Å; Y170-Q201 WeakPolarHBondContact CD2-O 3.32Å; Y170-A205 HydrophobicContact CD2-CB 4.47Å; Y170-A205 HydrophobicContact CE2-CB 3.84Å; Y170-Y311 HydrophobicContact CD1-CE2 4.12Å; Y170-Y311 HydrophobicContact CE1-CD2 4.26Å; Y170-Y311 AromaticContact CE1-CE2 3.48Å; Y170-Y311 HydrophobicContact CE1-CE2 3.48Å; Y170-Y311 VanDerWaalsContact CE1-CE2 3.48Å; Y170-Y311 AromaticContact CE1-CZ 3.93Å; Y170-I312 VanDerWaalsContact O-CA 3.3Å; Y170-I312 WeakPolarHBondContact O-CA 3.32Å; Y170-I312 WeakPolarHBondContact O-CB 3.44Å; Y170-I313 HydrophobicContact CD1-CD1 4.11Å; Y170-I313 HydrophobicContact CD1-CG1 4.32Å; Y170-I313 HydrophobicContact CG-CD1 4.42Å; Y170-I313 PolarHBondContact N-O 3.02Å; Y170-I313 VanDerWaalsContact N-O 3.16Å; Y170-I313 PolarHBondContact O-N 2.95Å
171	S	88.9	Confident	86.4	Confident	0 Å²	0	25 Å²	25	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	145	174.6	-178.4	0	0	0	0	110.7	H173 Y177 Q201	S171-H173 PolarHBondContact O-N 3.16Å; S171-H173 PolarHBondContact OG-N 3Å; S171-Y177 WeakPolarHBondContact CB-O 3.47Å; S171-Y177 PolarHBondContact OG-O 3.05Å; S171-Q201 VanDerWaalsContact N-OE1 3.16Å; S171-Q201 PolarHBondContact O-NE2 2.95Å
172	S	84.8	Confident	85.7	Confident	30 Å²	30	23 Å²	23	21%	0.21	11%	0.109	C	C	.	.	S	Bend	trans	-62.2	-19.2	172.4	73	0	0	0	0	113.8	D310 Y311	S172-D310 PolarHBondContact OG-N 2.95Å; S172-D310 VanDerWaalsContact OG-N 3.15Å; S172-D310 PolarHBondContact OG-OD2 2.85Å; S172-Y311 PolarHBondContact N-O 2.69Å; S172-Y311 VanDerWaalsContact N-O 3.1Å
173	H	81	Confident	84.3	Confident	42 Å²	42	25.9 Å²	25.9	19%	0.194	12%	0.124	C	C	.	.	S	Bend	trans	-75.7	128.2	178.2	-165.5	-31.8	0	0	0	111.2	S171 N175 G176 Y177 Y179 T309	S171-H173 PolarHBondContact O-N 3.16Å; S171-H173 PolarHBondContact OG-N 3Å; H173-N175 PolarHBondContact O-N 3.49Å; H173-G176 PolarHBondContact O-N 3.01Å; H173-Y177 WeakPolarHBondContact CB-O 3.13Å; H173-Y179 AromaticContact CD2-CE2 3.76Å; H173-Y179 AromaticContact NE2-CE2 3.93Å; H173-T309 HydrophobicContact CB-CG2 4.23Å
174	F	72.3	Confident	82.9	Confident	168 Å²	168	28.3 Å²	28.3	74%	0.737	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-23	-176.4	68.8	-91.4	0	0	0	117
175	N	75.1	Confident	81.4	Confident	84 Å²	84	28.9 Å²	28.9	45%	0.449	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	0.6	179.1	-79.9	-32.8	0	0	0	114.3	H173 Y177	H173-N175 PolarHBondContact O-N 3.49Å; N175-Y177 VanDerWaalsContact C-N 3.27Å; N175-Y177 HydrophobicContact CB-CD1 4.47Å; N175-Y177 HydrophobicContact CB-CD2 3.38Å; N175-Y177 HydrophobicContact CB-CE1 4.43Å; N175-Y177 HydrophobicContact CB-CE2 3.32Å; N175-Y177 HydrophobicContact CB-CG 3.97Å; N175-Y177 WeakPolarHBondContact ND2-CE2 3.35Å; N175-Y177 PolarHBondContact O-N 2.97Å
176	G	79.5	Confident	79.2	Confident	3 Å²	3	30 Å²	30	3%	0.031	15%	0.145	C	C	.	.	S	Bend	trans	71.2	20.1	-171.8	0	0	0	0	0	114.1	H173 T196	H173-G176 PolarHBondContact O-N 3.01Å; G176-T196 WeakPolarHBondContact CA-OG1 3.37Å; G176-T196 PolarHBondContact O-N 2.72Å; G176-T196 PolarHBondContact O-OG1 2.82Å
177	Y	84.2	Confident	76.6	Confident	69 Å²	69	30 Å²	30	27%	0.271	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	143.3	175.7	-60.6	-38.7	0	0	0	111.2	S171 H173 N175 K193 N195	S171-Y177 WeakPolarHBondContact CB-O 3.47Å; S171-Y177 PolarHBondContact OG-O 3.05Å; H173-Y177 WeakPolarHBondContact CB-O 3.13Å; N175-Y177 VanDerWaalsContact C-N 3.27Å; N175-Y177 HydrophobicContact CB-CD1 4.47Å; N175-Y177 HydrophobicContact CB-CD2 3.38Å; N175-Y177 HydrophobicContact CB-CE1 4.43Å; N175-Y177 HydrophobicContact CB-CE2 3.32Å; N175-Y177 HydrophobicContact CB-CG 3.97Å; N175-Y177 WeakPolarHBondContact ND2-CE2 3.35Å; N175-Y177 PolarHBondContact O-N 2.97Å; Y177-K193 HydrophobicContact CG-CD 4.49Å; Y177-N195 WeakPolarHBondContact CD1-OD1 3.38Å
178	V	86.3	Confident	74.4	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130	175.1	-175.7	0	0	0	0	108.9	L168 I180 Y194 T196 L306 I312	L168-V178 HydrophobicContact CD1-CB 4.02Å; L168-V178 HydrophobicContact CD1-CG2 3.85Å; L168-V178 HydrophobicContact CD2-CG1 4.47Å; L168-V178 HydrophobicContact CD2-CG2 4.03Å; V178-I180 HydrophobicContact CB-CG1 4.47Å; V178-I180 HydrophobicContact CG1-CD1 3.79Å; V178-I180 HydrophobicContact CG1-CG1 3.63Å; V178-Y194 PolarHBondContact N-O 3.18Å; V178-Y194 PolarHBondContact O-N 3.21Å; V178-T196 HydrophobicContact CG2-CG2 4.06Å; V178-L306 HydrophobicContact CG1-CD1 3.48Å; V178-L306 VanDerWaalsContact CG1-CD1 3.48Å; V178-I312 HydrophobicContact CB-CG2 4.45Å; V178-I312 HydrophobicContact CG1-CD1 4.45Å; V178-I312 HydrophobicContact CG1-CG2 3.77Å; V178-I312 HydrophobicContact CG2-CG2 3.77Å
179	Y	86	Confident	72.4	Confident	33 Å²	33	35.6 Å²	35.6	13%	0.129	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120.6	179.6	-73.3	-64.1	0	0	0	109.3	H173 I191 K193 I307 T309	H173-Y179 AromaticContact CD2-CE2 3.76Å; H173-Y179 AromaticContact NE2-CE2 3.93Å; Y179-I191 HydrophobicContact CD1-CG2 3.85Å; Y179-I191 HydrophobicContact CG-CG2 4.14Å; Y179-K193 HydrophobicContact CD1-CB 4.44Å; Y179-K193 HydrophobicContact CE1-CB 4.24Å; Y179-K193 HydrophobicContact CE1-CD 4.26Å; Y179-K193 HydrophobicContact CE1-CG 4.18Å; Y179-I307 CarbonylContact C-O 3.22Å; Y179-I307 WeakPolarHBondContact CB-O 3.49Å; Y179-I307 PolarHBondContact O-N 2.83Å; Y179-I307 VanDerWaalsContact O-N 3.09Å; Y179-T309 HydrophobicContact CD2-CG2 4.24Å
180	I	85.4	Confident	71	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	129.4	-168.1	-54	-170.5	0	0	0	110	F162 V178 T182 K192 Y194 V300	F162-I180 HydrophobicContact CE2-CG2 4.19Å; V178-I180 HydrophobicContact CB-CG1 4.47Å; V178-I180 HydrophobicContact CG1-CD1 3.79Å; V178-I180 HydrophobicContact CG1-CG1 3.63Å; I180-T182 HydrophobicContact CG2-CG2 4.33Å; I180-K192 PolarHBondContact N-O 2.84Å; I180-K192 PolarHBondContact O-N 3.39Å; I180-Y194 HydrophobicContact CB-CD2 3.92Å; I180-Y194 HydrophobicContact CB-CE2 4.01Å; I180-Y194 HydrophobicContact CD1-CD1 4.45Å; I180-Y194 HydrophobicContact CD1-CD2 3.59Å; I180-Y194 HydrophobicContact CD1-CE2 4.1Å; I180-Y194 HydrophobicContact CD1-CG 3.8Å; I180-Y194 HydrophobicContact CG1-CD2 3.82Å; I180-Y194 HydrophobicContact CG1-CE2 4.35Å; I180-Y194 HydrophobicContact CG1-CG 4.43Å; I180-Y194 HydrophobicContact CG2-CE2 4.48Å; I180-V300 HydrophobicContact CD1-CB 4.16Å; I180-V300 HydrophobicContact CD1-CG1 3.73Å; I180-V300 HydrophobicContact CD1-CG2 3.42Å; I180-V300 VanDerWaalsContact CD1-CG2 3.42Å
181	N	78	Confident	70.1	Confident	21 Å²	21	41.2 Å²	41.2	11%	0.112	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	127.5	170.6	-176.9	-11.3	0	0	0	110.1	M183 S304 K305 I307	N181-M183 WeakPolarHBondContact OD1-CB 3.33Å; N181-M183 PolarHBondContact OD1-N 3.46Å; N181-S304 WeakPolarHBondContact O-CA 3.49Å; N181-S304 WeakPolarHBondContact O-CB 3.24Å; N181-K305 PolarHBondContact N-O 2.74Å; N181-K305 PolarHBondContact O-N 2.62Å; N181-I307 HydrophobicContact CB-CD1 3.46Å; N181-I307 VanDerWaalsContact CB-CD1 3.46Å; N181-I307 HydrophobicContact CB-CG1 3.98Å
182	T	69.6	Low	69.4	Low	1 Å²	1	43.6 Å²	43.6	1%	0.006	21%	0.214	C	C	.	.			trans	-105.6	11.8	-176.2	57.1	0	0	0	0	114.6	I180 N184 L185 D186 K192	I180-T182 HydrophobicContact CG2-CG2 4.33Å; T182-N184 PolarHBondContact O-N 2.91Å; T182-L185 PolarHBondContact O-N 3.24Å; T182-D186 VanDerWaalsContact CB-OD1 3.22Å; T182-D186 WeakPolarHBondContact CB-OD1 3.29Å; T182-D186 WeakPolarHBondContact CB-OD2 3.28Å; T182-D186 PolarHBondContact O-N 3.16Å; T182-D186 VanDerWaalsContact O-OD1 3.08Å; T182-D186 VanDerWaalsContact OG1-CG 3.24Å; T182-D186 PolarHBondContact OG1-OD1 3.01Å; T182-D186 PolarHBondContact OG1-OD2 3.13Å; T182-D186 VanDerWaalsContact OG1-OD2 3.05Å; T182-K192 HydrophobicContact CG2-CD 3.91Å; T182-K192 WeakPolarHBondContact OG1-CE 3.49Å; T182-K192 PolarHBondContact OG1-NZ 3.2Å; T182-K192 VanDerWaalsContact OG1-NZ 3.11Å
183	M	61	Low	69.3	Low	65 Å²	65	46.5 Å²	46.5	32%	0.32	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.6	-10.5	175	-172.3	-163	80.2	0	0	117.4	N181 E188 E1071 G1072	N181-M183 WeakPolarHBondContact OD1-CB 3.33Å; N181-M183 PolarHBondContact OD1-N 3.46Å; M183-E188 PolarHBondContact N-O 2.87Å; M183-E1071 WeakPolarHBondContact CG-O 3.49Å; M183-G1072 VanDerWaalsContact CG-CA 3.45Å
184	N	61.1	Low	69.7	Low	60 Å²	60	45.6 Å²	45.6	32%	0.321	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	1	177	-65.8	-41.3	0	0	0	114.7	T182 G303 E1074	T182-N184 PolarHBondContact O-N 2.91Å; N184-G303 WeakPolarHBondContact CB-O 3.21Å; N184-G303 PolarHBondContact ND2-O 3.04Å; N184-E1074 VanDerWaalsContact C-CD 3.5Å; N184-E1074 WeakPolarHBondContact CA-OE1 3.21Å; N184-E1074 PolarHBondContact N-OE1 3.45Å
185	L	59.4	Low	70.4	Confident	13 Å²	13	40.4 Å²	40.4	7%	0.068	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-39.8	177.3	-72	179.4	0	0	0	115.6	T182 L259 L301 R302 S304 L325 E1074	T182-L185 PolarHBondContact O-N 3.24Å; L185-L259 WeakPolarHBondContact O-CD1 3.49Å; L185-L301 HydrophobicContact CD1-CB 3.26Å; L185-L301 HydrophobicContact CD1-CD1 3.95Å; L185-L301 HydrophobicContact CD1-CG 4.23Å; L185-R302 WeakPolarHBondContact CD2-O 3.45Å; L185-S304 WeakPolarHBondContact CD1-OG 3.39Å; L185-L325 HydrophobicContact CD2-CB 3.75Å; L185-L325 HydrophobicContact CD2-CD1 3.88Å; L185-L325 HydrophobicContact CD2-CD2 4.08Å; L185-L325 HydrophobicContact CD2-CG 4.09Å; L185-E1074 VanDerWaalsContact C-OE1 3.26Å; L185-E1074 WeakPolarHBondContact CA-OE1 3.33Å; L185-E1074 PolarHBondContact N-OE1 3.06Å
186	D	48.8	Very low	71.1	Confident	23 Å²	23	36.8 Å²	36.8	12%	0.123	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.9	-2.1	-177	49.4	36.1	0	0	0	113.2	T182 E188 K192 L259 G1052 E1074	T182-D186 VanDerWaalsContact CB-OD1 3.22Å; T182-D186 WeakPolarHBondContact CB-OD1 3.29Å; T182-D186 WeakPolarHBondContact CB-OD2 3.28Å; T182-D186 PolarHBondContact O-N 3.16Å; T182-D186 VanDerWaalsContact O-OD1 3.08Å; T182-D186 VanDerWaalsContact OG1-CG 3.24Å; T182-D186 PolarHBondContact OG1-OD1 3.01Å; T182-D186 PolarHBondContact OG1-OD2 3.13Å; T182-D186 VanDerWaalsContact OG1-OD2 3.05Å; D186-E188 PolarHBondContact O-N 2.89Å; D186-E188 WeakPolarHBondContact OD1-CB 3.34Å; D186-E188 PolarHBondContact OD1-N 3.25Å; D186-E188 VanDerWaalsContact OD1-N 3.13Å; D186-K192 VanDerWaalsContact CG-NZ 3.33Å; D186-K192 IonicContact OD1-NZ 2.67Å; D186-K192 IonicContact OD2-NZ 3.77Å; D186-K192 PolarHBondContact OD2-NZ 3.27Å; D186-L259 HydrophobicContact CB-CD1 4.49Å; D186-G1052 VanDerWaalsContact C-CA 3.5Å; D186-G1052 WeakPolarHBondContact O-CA 3.5Å; D186-G1052 PolarHBondContact O-N 3.05Å; D186-E1074 PolarHBondContact N-OE1 2.83Å; D186-E1074 PolarHBondContact N-OE2 3.44Å
187	G	39.7	Very low	71.5	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.01	18%	0.179	C	C	.	.			trans	58.5	31.2	-177.4	0	0	0	0	0	112.7	E1071 E1074	G187-E1071 CarbonylContact C-O 3.54Å; G187-E1071 CarbonylContact O-C 3.56Å; G187-E1071 VanDerWaalsContact O-C 3.22Å; G187-E1071 WeakPolarHBondContact O-CB 3.44Å; G187-E1074 WeakPolarHBondContact CA-OE1 3.35Å; G187-E1074 VanDerWaalsContact N-CD 3.25Å; G187-E1074 PolarHBondContact N-OE1 3.38Å; G187-E1074 PolarHBondContact N-OE2 2.98Å
188	E	48	Very low	71.3	Confident	54 Å²	54	42.7 Å²	42.7	25%	0.252	21%	0.206	S	C	.	.			trans	-99.9	123.4	170.4	-63.9	178.1	-169.6	0	0	109.6	M183 D186 N190 K192 E1071	M183-E188 PolarHBondContact N-O 2.87Å; D186-E188 PolarHBondContact O-N 2.89Å; D186-E188 WeakPolarHBondContact OD1-CB 3.34Å; D186-E188 PolarHBondContact OD1-N 3.25Å; D186-E188 VanDerWaalsContact OD1-N 3.13Å; E188-N190 PolarHBondContact O-N 2.9Å; E188-K192 WeakPolarHBondContact OE2-CE 3.46Å; E188-K192 IonicContact OE2-NZ 3.14Å; E188-K192 PolarHBondContact OE2-NZ 2.81Å; E188-E1071 CarbonylContact C-O 3.57Å
189	N	49.7	Very low	70.9	Confident	63 Å²	63	46 Å²	46	34%	0.337	22%	0.221	S	C	.	.			trans	-72.6	-13.2	175.4	-105.3	6.1	0	0	0	113.8	I191 K1070 E1071	N189-I191 PolarHBondContact O-N 3.12Å; N189-K1070 VanDerWaalsContact CG-O 3.22Å; N189-K1070 PolarHBondContact ND2-O 2.92Å; N189-K1070 PolarHBondContact OD1-O 2.74Å; N189-E1071 HydrophobicContact CB-CB 4.4Å; N189-E1071 PolarHBondContact N-O 3.49Å; N189-E1071 PolarHBondContact OD1-O 3.08Å
190	N	62	Low	70.7	Confident	83 Å²	83	45 Å²	45	44%	0.444	22%	0.217	S	C	.	.	S	Bend	trans	-64.5	127.6	-173	-72.1	-15.1	0	0	0	109.9	E188 K192	E188-N190 PolarHBondContact O-N 2.9Å; N190-K192 PolarHBondContact O-N 3.05Å; N190-K192 VanDerWaalsContact O-N 3.12Å
191	I	71.8	Confident	70.4	Confident	53 Å²	53	46.4 Å²	46.4	27%	0.272	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	112.6	174.7	-56.5	177.6	0	0	0	107.7	Y179 N189 I307	Y179-I191 HydrophobicContact CD1-CG2 3.85Å; Y179-I191 HydrophobicContact CG-CG2 4.14Å; N189-I191 PolarHBondContact O-N 3.12Å; I191-I307 HydrophobicContact CD1-CG2 3.97Å
192	K	74.2	Confident	70.4	Confident	49 Å²	49	49.1 Å²	49.1	21%	0.213	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	134	-178.7	-68.5	177.5	-168.5	-177.1	0	109.9	I180 T182 D186 E188 N190 Y194	I180-K192 PolarHBondContact N-O 2.84Å; I180-K192 PolarHBondContact O-N 3.39Å; T182-K192 HydrophobicContact CG2-CD 3.91Å; T182-K192 WeakPolarHBondContact OG1-CE 3.49Å; T182-K192 PolarHBondContact OG1-NZ 3.2Å; T182-K192 VanDerWaalsContact OG1-NZ 3.11Å; D186-K192 VanDerWaalsContact CG-NZ 3.33Å; D186-K192 IonicContact OD1-NZ 2.67Å; D186-K192 IonicContact OD2-NZ 3.77Å; D186-K192 PolarHBondContact OD2-NZ 3.27Å; E188-K192 WeakPolarHBondContact OE2-CE 3.46Å; E188-K192 IonicContact OE2-NZ 3.14Å; E188-K192 PolarHBondContact OE2-NZ 2.81Å; N190-K192 PolarHBondContact O-N 3.05Å; N190-K192 VanDerWaalsContact O-N 3.12Å; K192-Y194 HydrophobicContact CB-CD2 4.19Å; K192-Y194 HydrophobicContact CB-CE2 3.62Å
193	K	83	Confident	70.6	Confident	92 Å²	92	50.1 Å²	50.1	40%	0.4	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	117.8	178.5	-173.8	174.3	-178.2	169.1	0	111	Y177 Y179	Y177-K193 HydrophobicContact CG-CD 4.49Å; Y179-K193 HydrophobicContact CD1-CB 4.44Å; Y179-K193 HydrophobicContact CE1-CB 4.24Å; Y179-K193 HydrophobicContact CE1-CD 4.26Å; Y179-K193 HydrophobicContact CE1-CG 4.18Å
194	Y	88.4	Confident	71.4	Confident	22 Å²	22	47 Å²	47	9%	0.086	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	162.8	174.9	-71.9	-106	0	0	0	110.2	L168 V178 I180 K192 Y296 K297 L299	L168-Y194 HydrophobicContact CD1-CG 4.47Å; V178-Y194 PolarHBondContact N-O 3.18Å; V178-Y194 PolarHBondContact O-N 3.21Å; I180-Y194 HydrophobicContact CB-CD2 3.92Å; I180-Y194 HydrophobicContact CB-CE2 4.01Å; I180-Y194 HydrophobicContact CD1-CD1 4.45Å; I180-Y194 HydrophobicContact CD1-CD2 3.59Å; I180-Y194 HydrophobicContact CD1-CE2 4.1Å; I180-Y194 HydrophobicContact CD1-CG 3.8Å; I180-Y194 HydrophobicContact CG1-CD2 3.82Å; I180-Y194 HydrophobicContact CG1-CE2 4.35Å; I180-Y194 HydrophobicContact CG1-CG 4.43Å; I180-Y194 HydrophobicContact CG2-CE2 4.48Å; K192-Y194 HydrophobicContact CB-CD2 4.19Å; K192-Y194 HydrophobicContact CB-CE2 3.62Å; Y194-Y296 WeakPolarHBondContact CE1-O 3.3Å; Y194-K297 WeakPolarHBondContact CA-O 3.39Å; Y194-K297 WeakPolarHBondContact CB-O 3.42Å; Y194-K297 WeakPolarHBondContact CD1-O 3.39Å; Y194-L299 VanDerWaalsContact CE1-O 3.3Å; Y194-L299 WeakPolarHBondContact CE1-O 3.37Å
195	N	87.8	Confident	71.9	Confident	59 Å²	59	45.8 Å²	45.8	32%	0.316	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	137.3	-175	-63.1	-12.2	0	0	0	111.1	Y177 K297 N298	Y177-N195 WeakPolarHBondContact CD1-OD1 3.38Å; N195-K297 PolarHBondContact N-O 2.91Å; N195-N298 PolarHBondContact O-ND2 2.84Å
196	T	90	Very high	72.1	Confident	8 Å²	8	51.4 Å²	51.4	5%	0.049	26%	0.264	C	S	.	.			trans	-73.7	167.5	171.6	59.7	0	0	0	0	112.5	L168 Y170 G176 V178 K198 Q201	L168-T196 HydrophobicContact CB-CG2 4.12Å; L168-T196 WeakPolarHBondContact O-CA 3.08Å; Y170-T196 VanDerWaalsContact C-CG2 3.48Å; G176-T196 WeakPolarHBondContact CA-OG1 3.37Å; G176-T196 PolarHBondContact O-N 2.72Å; G176-T196 PolarHBondContact O-OG1 2.82Å; V178-T196 HydrophobicContact CG2-CG2 4.06Å; T196-K198 PolarHBondContact O-N 2.78Å; T196-Q201 PolarHBondContact OG1-OE1 3.26Å
197	L	86.6	Confident	72.8	Confident	6 Å²	6	52.6 Å²	52.6	3%	0.031	27%	0.267	C	S	.	.			trans	-71.1	108.7	168.9	-58.5	-171.3	0	0	0	109.9	L167 L168 L169 Q199 Y200 Q201 L248 Y266 L294 N298	L167-L197 HydrophobicContact CD2-CD1 4.12Å; L168-L197 PolarHBondContact O-N 3.19Å; L169-L197 HydrophobicContact CD2-CD1 3.83Å; L169-L197 HydrophobicContact CD2-CG 4.35Å; L197-Q199 PolarHBondContact O-N 2.85Å; L197-Y200 HydrophobicContact CB-CD2 4.12Å; L197-Y200 HydrophobicContact CD1-CD2 4.03Å; L197-Y200 PolarHBondContact O-N 2.94Å; L197-Q201 PolarHBondContact O-N 2.78Å; L197-L248 HydrophobicContact CD1-CD2 4.25Å; L197-Y266 HydrophobicContact CD1-CD1 4.2Å; L197-Y266 HydrophobicContact CD1-CD2 4.49Å; L197-Y266 HydrophobicContact CD1-CE1 4.01Å; L197-Y266 HydrophobicContact CD1-CE2 4.33Å; L197-Y266 HydrophobicContact CD1-CG 4.43Å; L197-Y266 HydrophobicContact CD2-CD1 4.42Å; L197-Y266 HydrophobicContact CD2-CE1 3.82Å; L197-Y266 HydrophobicContact CG-CE1 4.42Å; L197-L294 HydrophobicContact CD2-CD2 3.57Å; L197-N298 HydrophobicContact CD2-CB 4.42Å
198	K	80.1	Confident	73.7	Confident	190 Å²	190	55.3 Å²	55.3	83%	0.826	28%	0.281	S	S	*	.	H	α-helix	trans	-49.9	-36.8	-173.5	-67.3	-171.8	177.1	-173.4	0	115	T196	T196-K198 PolarHBondContact O-N 2.78Å
199	Q	78.4	Confident	74	Confident	71 Å²	71	56.5 Å²	56.5	33%	0.332	29%	0.288	S	S	.	.	H	α-helix	trans	-67.5	-47.1	178.3	-70.4	172	-10.5	0	0	111.5	L197 Q201 S202 S203 F292	L197-Q199 PolarHBondContact O-N 2.85Å; Q199-Q201 VanDerWaalsContact C-N 3.35Å; Q199-Q201 PolarHBondContact O-N 2.92Å; Q199-S202 PolarHBondContact O-OG 2.82Å; Q199-S203 PolarHBondContact O-OG 2.91Å; Q199-F292 VanDerWaalsContact NE2-CE2 3.27Å
200	Y	81.1	Confident	73.5	Confident	10 Å²	10	58.3 Å²	58.3	4%	0.039	30%	0.301	C	S	.	.	H	α-helix	trans	-78.4	-17.3	-177	-71.5	-79	0	0	0	113.5	L197 S202 S203 Y204 H245 Y247 L248 Y266 T268	L197-Y200 HydrophobicContact CB-CD2 4.12Å; L197-Y200 HydrophobicContact CD1-CD2 4.03Å; L197-Y200 PolarHBondContact O-N 2.94Å; Y200-S202 PolarHBondContact O-N 3.04Å; Y200-S203 PolarHBondContact O-N 3.08Å; Y200-Y204 HydrophobicContact CD1-CD2 4.16Å; Y200-Y204 AromaticContact CD1-CE2 3.71Å; Y200-Y204 HydrophobicContact CD1-CE2 3.71Å; Y200-Y204 HydrophobicContact CG-CE2 4.3Å; Y200-Y204 WeakPolarHBondContact O-CD2 3.37Å; Y200-Y204 PolarHBondContact O-N 3.4Å; Y200-H245 WeakPolarHBondContact CE1-O 3.33Å; Y200-Y247 PolarHBondContact OH-O 2.88Å; Y200-L248 HydrophobicContact CE1-CB 4.35Å; Y200-L248 HydrophobicContact CE2-CD1 3.75Å; Y200-L248 HydrophobicContact CE2-CD2 4.35Å; Y200-L248 HydrophobicContact CE2-CG 4.43Å; Y200-Y266 HydrophobicContact CD2-CE2 4.33Å; Y200-Y266 HydrophobicContact CE2-CD2 4.1Å; Y200-Y266 AromaticContact CE2-CE2 3.82Å; Y200-Y266 HydrophobicContact CE2-CE2 3.82Å; Y200-T268 HydrophobicContact CE2-CG2 4.38Å
201	Q	80	Confident	72.3	Confident	31 Å²	31	57.5 Å²	57.5	15%	0.145	30%	0.299	C	S	.	.	H	α-helix	trans	-56.8	-34.5	172.3	-178.4	69.7	32.2	0	0	112.1	L169 Y170 S171 T196 L197 Q199	L169-Q201 PolarHBondContact O-N 3.15Å; Y170-Q201 WeakPolarHBondContact CD2-O 3.32Å; S171-Q201 VanDerWaalsContact N-OE1 3.16Å; S171-Q201 PolarHBondContact O-NE2 2.95Å; T196-Q201 PolarHBondContact OG1-OE1 3.26Å; L197-Q201 PolarHBondContact O-N 2.78Å; Q199-Q201 VanDerWaalsContact C-N 3.35Å; Q199-Q201 PolarHBondContact O-N 2.92Å
202	S	76.8	Confident	70.5	Confident	78 Å²	78	60.3 Å²	60.3	55%	0.545	32%	0.319	S	S	.	.	H	α-helix	trans	-81.3	-43.5	173.4	58.8	0	0	0	0	112	Q199 Y200 Y204 A205	Q199-S202 PolarHBondContact O-OG 2.82Å; Y200-S202 PolarHBondContact O-N 3.04Å; S202-Y204 PolarHBondContact O-N 2.61Å; S202-A205 WeakPolarHBondContact O-CB 3.09Å; S202-A205 PolarHBondContact O-N 2.95Å
203	S	74.6	Confident	68.5	Low	22 Å²	22	65.3 Å²	65.3	15%	0.154	35%	0.348	C	S	.	.	H	α-helix	trans	-57.8	-45.1	-180	-46.2	0	0	0	0	112.6	Q199 Y200 Y207	Q199-S203 PolarHBondContact O-OG 2.91Å; Y200-S203 PolarHBondContact O-N 3.08Å; S203-Y207 VanDerWaalsContact O-CD2 3.27Å; S203-Y207 WeakPolarHBondContact O-CD2 3.14Å; S203-Y207 WeakPolarHBondContact O-CE2 3.33Å
204	Y	77.5	Confident	66	Low	0 Å²	0	68.1 Å²	68.1	0%	0	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-79.2	-15.2	179.9	-78	-88.8	0	0	0	114	L129 I153 L169 Y200 S202 N206 Y207 L246 I313	L129-Y204 HydrophobicContact CD2-CE1 4.24Å; I153-Y204 HydrophobicContact CD1-CE1 4.22Å; I153-Y204 WeakPolarHBondContact CD1-OH 3.12Å; L169-Y204 HydrophobicContact CB-CD2 4.21Å; L169-Y204 HydrophobicContact CB-CE2 4.24Å; L169-Y204 HydrophobicContact CD1-CE1 4.42Å; L169-Y204 HydrophobicContact CD1-CE2 3.83Å; Y200-Y204 HydrophobicContact CD1-CD2 4.16Å; Y200-Y204 AromaticContact CD1-CE2 3.71Å; Y200-Y204 HydrophobicContact CD1-CE2 3.71Å; Y200-Y204 HydrophobicContact CG-CE2 4.3Å; Y200-Y204 WeakPolarHBondContact O-CD2 3.37Å; Y200-Y204 PolarHBondContact O-N 3.4Å; S202-Y204 PolarHBondContact O-N 2.61Å; Y204-N206 PolarHBondContact O-N 2.91Å; Y204-Y207 PolarHBondContact O-N 3.25Å; Y204-Y207 VanDerWaalsContact O-N 3.12Å; Y204-L246 HydrophobicContact CD1-CD2 4.22Å; Y204-L246 HydrophobicContact CE1-CD2 3.54Å; Y204-L246 HydrophobicContact CE2-CD2 4.12Å; Y204-L246 VanDerWaalsContact CZ-CD2 3.46Å; Y204-L246 WeakPolarHBondContact OH-CD2 3.36Å; Y204-I313 HydrophobicContact CD1-CD1 4.22Å; Y204-I313 HydrophobicContact CD1-CG2 4.18Å; Y204-I313 HydrophobicContact CE1-CG2 4.36Å
205	A	71.6	Confident	63.3	Low	33 Å²	33	72.7 Å²	72.7	27%	0.273	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-64.1	-27.5	173.6	0	0	0	0	0	112.6	Y170 S202 Y207 I208	Y170-A205 HydrophobicContact CD2-CB 4.47Å; Y170-A205 HydrophobicContact CE2-CB 3.84Å; S202-A205 WeakPolarHBondContact O-CB 3.09Å; S202-A205 PolarHBondContact O-N 2.95Å; A205-Y207 VanDerWaalsContact C-N 3.26Å; A205-Y207 PolarHBondContact O-N 3.2Å; A205-I208 WeakPolarHBondContact O-CD1 3.5Å; A205-I208 WeakPolarHBondContact O-CG1 3.48Å
206	N	64.6	Low	60.5	Low	132 Å²	132	76.3 Å²	76.3	71%	0.706	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-74.4	-16.8	176.2	-68	-13.6	0	0	0	113	Y204	Y204-N206 PolarHBondContact O-N 2.91Å
207	Y	63.2	Low	57.6	Low	47 Å²	47	85.9 Å²	85.9	18%	0.184	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-102.5	20.5	-178.1	-53.8	-61.8	0	0	0	113.2	S203 Y204 A205 M242 L246	S203-Y207 VanDerWaalsContact O-CD2 3.27Å; S203-Y207 WeakPolarHBondContact O-CD2 3.14Å; S203-Y207 WeakPolarHBondContact O-CE2 3.33Å; Y204-Y207 PolarHBondContact O-N 3.25Å; Y204-Y207 VanDerWaalsContact O-N 3.12Å; A205-Y207 VanDerWaalsContact C-N 3.26Å; A205-Y207 PolarHBondContact O-N 3.2Å; Y207-M242 HydrophobicContact CE1-CE 3.68Å; Y207-M242 HydrophobicContact CE1-CG 4.07Å; Y207-M242 HydrophobicContact CE1-SD 3.66Å; Y207-M242 WeakPolarHBondContact OH-CG 3.48Å; Y207-L246 HydrophobicContact CD2-CD2 3.96Å; Y207-L246 HydrophobicContact CE2-CD2 3.82Å; Y207-L246 HydrophobicContact CE2-CG 4.27Å
208	I	59	Low	55	Low	59 Å²	59	94.5 Å²	94.5	30%	0.303	50%	0.496	S	S	.	.	S	Bend	trans	-56.2	143.8	172	-71.5	168.7	0	0	0	110.7	A205 T210	A205-I208 WeakPolarHBondContact O-CD1 3.5Å; A205-I208 WeakPolarHBondContact O-CG1 3.48Å; I208-T210 PolarHBondContact O-N 3.41Å; I208-T210 PolarHBondContact O-OG1 3.39Å
209	M	54.6	Low	52.6	Low	78 Å²	78	92.3 Å²	92.3	38%	0.384	49%	0.494	S	S	.	.			trans	-59.8	83.3	169.1	-81.8	-178	156	0	0	111	L127 W140 T211	L127-M209 HydrophobicContact CD1-CE 3.8Å; L127-M209 HydrophobicContact CD2-CE 3.96Å; W140-M209 HydrophobicContact CB-CE 4.31Å; W140-M209 HydrophobicContact CG-CE 4.22Å; M209-T211 PolarHBondContact O-N 2.91Å
210	T	37.8	Very low	50.4	Low	101 Å²	101	95.4 Å²	95.4	62%	0.62	51%	0.512	S	S	*	.			trans	-79.4	58.7	176.4	28.3	0	0	0	0	110.4	I208 K232	I208-T210 PolarHBondContact O-N 3.41Å; I208-T210 PolarHBondContact O-OG1 3.39Å; T210-K232 PolarHBondContact OG1-NZ 3.31Å
211	T	36.5	Very low	47.9	Very low	67 Å²	67	103.5 Å²	103.5	41%	0.411	56%	0.556	S	S	.	*			trans	-149.6	18.8	-176.6	-8.7	0	0	0	0	115.3	M209 N230	M209-T211 PolarHBondContact O-N 2.91Å; T211-N230 WeakPolarHBondContact CG2-ND2 3.11Å
212	T	35.4	Very low	45.8	Very low	111 Å²	111	106.2 Å²	106.2	68%	0.681	58%	0.579	S	S	*	*			trans	-134.4	50.1	177.4	59.4	0	0	0	0	113.3
213	N	30.9	Very low	43.5	Very low	154 Å²	154	108.2 Å²	108.2	82%	0.824	59%	0.593	S	S	*	*	S	Bend	trans	-101.4	129.3	150.6	-77.8	-4.8	0	0	0	107.2
214	N	30.7	Very low	41.6	Very low	152 Å²	152	114.4 Å²	114.4	81%	0.813	62%	0.623	S	S	*	*	S	Bend	trans	83.6	137.6	-172.4	-50.5	-25.3	0	0	0	115.9
215	T	32.5	Very low	39.5	Very low	117 Å²	117	117.6 Å²	117.6	72%	0.718	66%	0.655	S	S	*	*			trans	79.5	85.9	178.9	69.4	0	0	0	0	118.3	Y217	T215-Y217 PolarHBondContact O-N 3.17Å
216	T	27.5	Very low	37.6	Very low	135 Å²	135	122.9 Å²	122.9	83%	0.828	68%	0.679	S	S	*	*			trans	-32.3	105.9	144.1	33.1	0	0	0	0	115.7
217	Y	30.3	Very low	36.2	Very low	209 Å²	209	123.8 Å²	123.8	82%	0.82	68%	0.684	S	S	*	*			trans	-128.2	98.6	158.8	-87.4	-90.3	0	0	0	108.7	T215	T215-Y217 PolarHBondContact O-N 3.17Å
218	K	32.6	Very low	34.8	Very low	187 Å²	187	128.9 Å²	128.9	81%	0.813	71%	0.714	S	S	*	*				42.9	102.6	73.4	-88.6	-176.6	178.4	174.9	0	113.4
219	N	28.5	Very low	34.1	Very low	145 Å²	145	134.9 Å²	134.9	78%	0.775	73%	0.734	S	S	*	*				30.9	136.6	129.9	-88.3	2.5	0	0	0	120
220	N	31.8	Very low	33.6	Very low	135 Å²	135	136.8 Å²	136.8	72%	0.722	75%	0.746	S	S	*	*			trans	110.9	121.4	150.3	-58.5	-26.7	0	0	0	115.7	S222	N220-S222 PolarHBondContact O-N 2.92Å
221	N	30.1	Very low	34	Very low	180 Å²	180	135.3 Å²	135.3	96%	0.963	73%	0.732	S	S	*	*			trans	-49.1	96	158.9	-57.9	-48.8	0	0	0	110.2
222	S	34.8	Very low	34.8	Very low	88 Å²	88	137.5 Å²	137.5	62%	0.615	74%	0.736	S	S	*	*			trans	-146.6	125	166.8	54.2	0	0	0	0	109.6	N220 I224	N220-S222 PolarHBondContact O-N 2.92Å; S222-I224 PolarHBondContact O-N 2.95Å
223	S	29.2	Very low	35.6	Very low	121 Å²	121	139.1 Å²	139.1	85%	0.846	74%	0.736	S	S	*	*			trans	-68.3	115.3	177.3	46.6	0	0	0	0	111.4
224	I	33.6	Very low	36.9	Very low	152 Å²	152	134.4 Å²	134.4	78%	0.779	71%	0.708	S	S	*	*			trans	-144.4	139.8	163.3	-79.5	104.7	0	0	0	108.4	S222	S222-I224 PolarHBondContact O-N 2.95Å
225	G	33.4	Very low	38	Very low	66 Å²	66	132.7 Å²	132.7	68%	0.68	70%	0.699	S	S	*	*			trans	55.4	98.7	152.1	0	0	0	0	0	118.6
226	D	32.7	Very low	39.2	Very low	145 Å²	145	133.1 Å²	133.1	78%	0.775	69%	0.693	S	S	*	*			trans	-67.3	125.7	132.3	-62.4	-58.8	0	0	0	106.1
227	D	34.9	Very low	40.8	Very low	150 Å²	150	133.9 Å²	133.9	80%	0.802	69%	0.691	S	S	*	*			trans	168.7	151.1	149.4	-83	-22.8	0	0	0	111.2
228	D	33.6	Very low	42.5	Very low	154 Å²	154	127.4 Å²	127.4	82%	0.824	67%	0.67	S	S	*	*			trans	48.3	83.7	169.4	-67.1	-13.3	0	0	0	120.6
229	Y	44.8	Very low	44.3	Very low	185 Å²	185	119 Å²	119	73%	0.725	63%	0.634	S	S	*	*			trans	-115.1	89.7	148.5	-88.5	-85.6	0	0	0	111.3
230	N	44.2	Very low	46.1	Very low	118 Å²	118	117 Å²	117	63%	0.631	62%	0.62	S	S	*	*			trans	26.3	90.1	158.6	-65.2	-23.6	0	0	0	117.4	T211 K232	T211-N230 WeakPolarHBondContact CG2-ND2 3.11Å; N230-K232 PolarHBondContact O-N 2.89Å
231	E	45.4	Very low	47.9	Very low	71 Å²	71	113 Å²	113	33%	0.332	60%	0.602	S	S	.	*			trans	-71.3	103.5	168.4	-171.2	162.2	-131	0	0	110.1	R135 S137 K139 Q233	R135-E231 WeakPolarHBondContact CD-OE1 3.47Å; R135-E231 IonicContact NH1-OE1 2.66Å; R135-E231 IonicContact NH1-OE2 3.7Å; R135-E231 PolarHBondContact NH1-OE2 3.07Å; R135-E231 VanDerWaalsContact NH1-OE2 3.07Å; S137-E231 PolarHBondContact OG-OE1 2.87Å; K139-E231 IonicContact NZ-OE1 3.04Å; E231-Q233 PolarHBondContact O-N 3.37Å
232	K	54.5	Low	49.8	Very low	113 Å²	113	105.2 Å²	105.2	49%	0.491	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.3	108.3	167.9	-71.3	-176.2	-176.8	174.6	0	108.7	T210 N230 F234	T210-K232 PolarHBondContact OG1-NZ 3.31Å; N230-K232 PolarHBondContact O-N 2.89Å; K232-F234 HydrophobicContact CB-CE2 3.83Å; K232-F234 HydrophobicContact CB-CZ 3.77Å; K232-F234 HydrophobicContact CD-CZ 4.26Å; K232-F234 WeakPolarHBondContact O-CD2 3.2Å; K232-F234 WeakPolarHBondContact O-CE2 3.43Å
233	Q	51.3	Low	51.7	Low	144 Å²	144	101.7 Å²	101.7	67%	0.673	54%	0.535	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	135.7	166.9	-68.7	-179.9	-6.3	0	0	109.1	E231	E231-Q233 PolarHBondContact O-N 3.37Å
234	F	58.9	Low	53.8	Low	55 Å²	55	99.3 Å²	99.3	24%	0.241	51%	0.51	C	S	.	.			trans	-113.1	148.5	179.5	-64.8	-79.2	0	0	0	110.8	K136 I138 K232 D238 F239 M242	K136-F234 PolarHBondContact O-N 3.47Å; I138-F234 HydrophobicContact CG1-CE2 4.45Å; K232-F234 HydrophobicContact CB-CE2 3.83Å; K232-F234 HydrophobicContact CB-CZ 3.77Å; K232-F234 HydrophobicContact CD-CZ 4.26Å; K232-F234 WeakPolarHBondContact O-CD2 3.2Å; K232-F234 WeakPolarHBondContact O-CE2 3.43Å; F234-D238 HydrophobicContact CB-CB 4.3Å; F234-F239 HydrophobicContact CB-CB 4.12Å; F234-M242 HydrophobicContact CD1-CE 3.69Å; F234-M242 HydrophobicContact CD1-SD 4.45Å; F234-M242 HydrophobicContact CD2-CE 4.29Å; F234-M242 HydrophobicContact CD2-SD 3.99Å; F234-M242 HydrophobicContact CE1-CE 3.44Å; F234-M242 VanDerWaalsContact CE1-CE 3.44Å; F234-M242 HydrophobicContact CE1-SD 4.26Å; F234-M242 HydrophobicContact CE2-CE 4.07Å; F234-M242 HydrophobicContact CE2-SD 3.75Å; F234-M242 HydrophobicContact CG-CE 4.12Å; F234-M242 HydrophobicContact CG-SD 4.33Å; F234-M242 HydrophobicContact CZ-CE 3.64Å; F234-M242 HydrophobicContact CZ-SD 3.89Å
235	N	52.8	Low	55.9	Low	116 Å²	116	97.1 Å²	97.1	62%	0.62	50%	0.497	S	S	*	.			trans	-64.8	158.2	169.9	-57.3	-55.4	0	0	0	109.8	L237 D238 F239	N235-L237 PolarHBondContact O-N 3.46Å; N235-D238 HydrophobicContact CB-CB 4.46Å; N235-D238 WeakPolarHBondContact CB-OD2 3.41Å; N235-D238 PolarHBondContact ND2-OD2 2.53Å; N235-D238 PolarHBondContact O-N 3.18Å; N235-D238 VanDerWaalsContact O-N 3.08Å; N235-F239 WeakPolarHBondContact O-CB 3.2Å; N235-F239 PolarHBondContact O-N 3.06Å
236	E	58.3	Low	58	Low	126 Å²	126	94.1 Å²	94.1	59%	0.589	47%	0.465	S	S	*	.	H	α-helix	trans	-58.6	-41.6	-174	-175.2	151.1	-132.1	0	0	114.1	K136 Q240	K136-E236 IonicContact NZ-OE1 3.66Å; K136-E236 PolarHBondContact NZ-OE1 3.25Å; K136-E236 IonicContact NZ-OE2 3.63Å; K136-E236 PolarHBondContact NZ-OE2 3.22Å; E236-Q240 WeakPolarHBondContact O-CB 3.36Å; E236-Q240 PolarHBondContact O-N 3.13Å
237	L	60.5	Low	60.3	Low	151 Å²	151	88 Å²	88	79%	0.791	43%	0.431	S	S	*	.	H	α-helix	trans	-66.1	-41	174.4	-76.3	149.4	0	0	0	112.6	N235 S241	N235-L237 PolarHBondContact O-N 3.46Å; L237-S241 PolarHBondContact O-N 3.1Å; L237-S241 VanDerWaalsContact O-N 3.14Å; L237-S241 PolarHBondContact O-OG 2.91Å
238	D	67.2	Low	62.7	Low	73 Å²	73	80.9 Å²	80.9	39%	0.39	39%	0.393	S	S	.	.	H	α-helix	trans	-67.5	-41.4	178.1	-59.6	-33.7	0	0	0	110.4	F234 N235 S241 M242	F234-D238 HydrophobicContact CB-CB 4.3Å; N235-D238 HydrophobicContact CB-CB 4.46Å; N235-D238 WeakPolarHBondContact CB-OD2 3.41Å; N235-D238 PolarHBondContact ND2-OD2 2.53Å; N235-D238 PolarHBondContact O-N 3.18Å; N235-D238 VanDerWaalsContact O-N 3.08Å; D238-S241 PolarHBondContact O-OG 3.49Å; D238-S241 VanDerWaalsContact O-OG 3.06Å; D238-M242 WeakPolarHBondContact O-CB 3.3Å; D238-M242 PolarHBondContact O-N 3.12Å
239	F	69.3	Low	65.2	Low	12 Å²	12	74.9 Å²	74.9	5%	0.053	36%	0.36	C	S	.	.	H	α-helix	trans	-65.7	-43.3	178.3	-172.1	-114.1	0	0	0	111.9	I131 F133 K136 I138 F234 N235 M242 I243	I131-F239 HydrophobicContact CG2-CE2 3.94Å; I131-F239 HydrophobicContact CG2-CZ 3.78Å; F133-F239 HydrophobicContact CD1-CE1 4.39Å; F133-F239 HydrophobicContact CG-CZ 4.5Å; K136-F239 HydrophobicContact CB-CB 4.41Å; K136-F239 HydrophobicContact CB-CD1 3.96Å; K136-F239 HydrophobicContact CB-CD2 4.04Å; K136-F239 HydrophobicContact CB-CE1 4.16Å; K136-F239 HydrophobicContact CB-CE2 4.26Å; K136-F239 HydrophobicContact CB-CG 3.89Å; K136-F239 HydrophobicContact CB-CZ 4.32Å; K136-F239 HydrophobicContact CD-CD1 4.38Å; K136-F239 HydrophobicContact CG-CD1 3.73Å; K136-F239 HydrophobicContact CG-CE1 3.87Å; K136-F239 HydrophobicContact CG-CG 4.15Å; K136-F239 HydrophobicContact CG-CZ 4.46Å; I138-F239 HydrophobicContact CG1-CE2 4.49Å; F234-F239 HydrophobicContact CB-CB 4.12Å; N235-F239 WeakPolarHBondContact O-CB 3.2Å; N235-F239 PolarHBondContact O-N 3.06Å; F239-M242 WeakPolarHBondContact O-CB 3.44Å; F239-M242 PolarHBondContact O-N 3.44Å; F239-I243 HydrophobicContact CD1-CD1 3.78Å; F239-I243 HydrophobicContact CE1-CD1 3.49Å; F239-I243 VanDerWaalsContact CE1-CD1 3.49Å; F239-I243 HydrophobicContact CE2-CD1 4.35Å; F239-I243 HydrophobicContact CG-CD1 4.36Å; F239-I243 HydrophobicContact CZ-CD1 3.79Å; F239-I243 HydrophobicContact CZ-CG1 4.48Å; F239-I243 VanDerWaalsContact O-CG1 3.3Å; F239-I243 WeakPolarHBondContact O-CG1 3.44Å; F239-I243 PolarHBondContact O-N 3.44Å
240	Q	66.7	Low	67.2	Low	102 Å²	102	66.1 Å²	66.1	48%	0.477	33%	0.325	S	S	.	.	H	α-helix	trans	-67.8	-46.4	-179.9	-170.7	140.1	-11.9	0	0	112.1	E236 M242 I243 E244	E236-Q240 WeakPolarHBondContact O-CB 3.36Å; E236-Q240 PolarHBondContact O-N 3.13Å; Q240-M242 VanDerWaalsContact C-N 3.27Å; Q240-M242 PolarHBondContact O-N 2.95Å; Q240-I243 PolarHBondContact O-N 3.21Å; Q240-E244 PolarHBondContact O-N 3.36Å; Q240-E244 VanDerWaalsContact O-N 3.1Å
241	S	69.1	Low	69.2	Low	50 Å²	50	61 Å²	61	35%	0.35	30%	0.298	S	S	.	.	H	α-helix	trans	-62.3	-35	173.9	62.6	0	0	0	0	112.2	L237 D238 E244 H245	L237-S241 PolarHBondContact O-N 3.1Å; L237-S241 VanDerWaalsContact O-N 3.14Å; L237-S241 PolarHBondContact O-OG 2.91Å; D238-S241 PolarHBondContact O-OG 3.49Å; D238-S241 VanDerWaalsContact O-OG 3.06Å; S241-E244 PolarHBondContact O-N 2.94Å; S241-H245 PolarHBondContact O-N 2.9Å; S241-H245 PolarHBondContact O-ND1 3.46Å
242	M	71.6	Confident	71.2	Confident	18 Å²	18	57.8 Å²	57.8	9%	0.089	28%	0.283	C	S	.	.	H	α-helix	trans	-63.7	-42.3	174.2	177.2	164.3	-50.8	0	0	113.1	I138 Y207 F234 D238 F239 Q240 H245 L246	I138-M242 HydrophobicContact CD1-CG 3.96Å; I138-M242 HydrophobicContact CD1-SD 3.46Å; I138-M242 WeakPolarHBondContact CD1-SD 3.37Å; I138-M242 HydrophobicContact CG1-SD 4.4Å; Y207-M242 HydrophobicContact CE1-CE 3.68Å; Y207-M242 HydrophobicContact CE1-CG 4.07Å; Y207-M242 HydrophobicContact CE1-SD 3.66Å; Y207-M242 WeakPolarHBondContact OH-CG 3.48Å; F234-M242 HydrophobicContact CD1-CE 3.69Å; F234-M242 HydrophobicContact CD1-SD 4.45Å; F234-M242 HydrophobicContact CD2-CE 4.29Å; F234-M242 HydrophobicContact CD2-SD 3.99Å; F234-M242 HydrophobicContact CE1-CE 3.44Å; F234-M242 VanDerWaalsContact CE1-CE 3.44Å; F234-M242 HydrophobicContact CE1-SD 4.26Å; F234-M242 HydrophobicContact CE2-CE 4.07Å; F234-M242 HydrophobicContact CE2-SD 3.75Å; F234-M242 HydrophobicContact CG-CE 4.12Å; F234-M242 HydrophobicContact CG-SD 4.33Å; F234-M242 HydrophobicContact CZ-CE 3.64Å; F234-M242 HydrophobicContact CZ-SD 3.89Å; D238-M242 WeakPolarHBondContact O-CB 3.3Å; D238-M242 PolarHBondContact O-N 3.12Å; F239-M242 WeakPolarHBondContact O-CB 3.44Å; F239-M242 PolarHBondContact O-N 3.44Å; Q240-M242 VanDerWaalsContact C-N 3.27Å; Q240-M242 PolarHBondContact O-N 2.95Å; M242-H245 PolarHBondContact O-N 3.04Å; M242-L246 HydrophobicContact CG-CD1 4.05Å; M242-L246 WeakPolarHBondContact O-CG 3.4Å; M242-L246 PolarHBondContact O-N 3.4Å; M242-L246 VanDerWaalsContact O-N 3.14Å
243	I	74.6	Confident	72.7	Confident	14 Å²	14	54.7 Å²	54.7	7%	0.072	27%	0.27	C	S	.	.	H	α-helix	trans	-65	-39.9	175.4	-65.4	166.7	0	0	0	110.8	L32 F133 F239 Q240 H245 L246 Y247	L32-I243 HydrophobicContact CD2-CG2 3.8Å; F133-I243 HydrophobicContact CE1-CD1 3.73Å; F133-I243 HydrophobicContact CZ-CD1 3.75Å; F239-I243 HydrophobicContact CD1-CD1 3.78Å; F239-I243 HydrophobicContact CE1-CD1 3.49Å; F239-I243 VanDerWaalsContact CE1-CD1 3.49Å; F239-I243 HydrophobicContact CE2-CD1 4.35Å; F239-I243 HydrophobicContact CG-CD1 4.36Å; F239-I243 HydrophobicContact CZ-CD1 3.79Å; F239-I243 HydrophobicContact CZ-CG1 4.48Å; F239-I243 VanDerWaalsContact O-CG1 3.3Å; F239-I243 WeakPolarHBondContact O-CG1 3.44Å; F239-I243 PolarHBondContact O-N 3.44Å; Q240-I243 PolarHBondContact O-N 3.21Å; I243-H245 VanDerWaalsContact C-N 3.27Å; I243-H245 PolarHBondContact O-N 3.13Å; I243-L246 CarbonylContact O-C 3.58Å; I243-L246 PolarHBondContact O-N 3.02Å; I243-Y247 WeakPolarHBondContact O-CB 3.45Å; I243-Y247 PolarHBondContact O-N 2.94Å
244	E	72.9	Confident	74.4	Confident	71 Å²	71	51.8 Å²	51.8	33%	0.332	26%	0.257	S	S	.	.	H	α-helix	trans	-58.6	-37.1	174.5	-71.2	178.2	173.5	0	0	112.4	L32 Q240 S241 L246 A269	L32-E244 HydrophobicContact CD1-CG 3.78Å; L32-E244 HydrophobicContact CD2-CG 3.9Å; Q240-E244 PolarHBondContact O-N 3.36Å; Q240-E244 VanDerWaalsContact O-N 3.1Å; S241-E244 PolarHBondContact O-N 2.94Å; E244-L246 VanDerWaalsContact C-N 3.35Å; E244-A269 HydrophobicContact CB-CB 4.28Å; E244-A269 WeakPolarHBondContact O-CB 3.19Å
245	H	76.3	Confident	75.7	Confident	106 Å²	106	50.8 Å²	50.8	49%	0.491	26%	0.256	S	S	.	.	H	α-helix	trans	-74	-21.9	174.9	-73.2	81.6	0	0	0	114	Y200 S241 M242 I243	Y200-H245 WeakPolarHBondContact CE1-O 3.33Å; S241-H245 PolarHBondContact O-N 2.9Å; S241-H245 PolarHBondContact O-ND1 3.46Å; M242-H245 PolarHBondContact O-N 3.04Å; I243-H245 VanDerWaalsContact C-N 3.27Å; I243-H245 PolarHBondContact O-N 3.13Å
246	L	78.3	Confident	77.1	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-97.6	-17.9	-179.6	-67.9	173.5	0	0	0	113.3	I131 I138 Y204 Y207 M242 I243 E244 L248	I131-L246 HydrophobicContact CD1-CD1 4.07Å; I138-L246 HydrophobicContact CD1-CD1 3.86Å; Y204-L246 HydrophobicContact CD1-CD2 4.22Å; Y204-L246 HydrophobicContact CE1-CD2 3.54Å; Y204-L246 HydrophobicContact CE2-CD2 4.12Å; Y204-L246 VanDerWaalsContact CZ-CD2 3.46Å; Y204-L246 WeakPolarHBondContact OH-CD2 3.36Å; Y207-L246 HydrophobicContact CD2-CD2 3.96Å; Y207-L246 HydrophobicContact CE2-CD2 3.82Å; Y207-L246 HydrophobicContact CE2-CG 4.27Å; M242-L246 HydrophobicContact CG-CD1 4.05Å; M242-L246 WeakPolarHBondContact O-CG 3.4Å; M242-L246 PolarHBondContact O-N 3.4Å; M242-L246 VanDerWaalsContact O-N 3.14Å; I243-L246 CarbonylContact O-C 3.58Å; I243-L246 PolarHBondContact O-N 3.02Å; E244-L246 VanDerWaalsContact C-N 3.35Å; L246-L248 PolarHBondContact O-N 3.34Å
247	Y	81.3	Confident	78	Confident	18 Å²	18	44.4 Å²	44.4	7%	0.071	22%	0.223	C	C	.	.			trans	-70	123.7	-178.8	177.1	-84.9	0	0	0	111.1	Y25 I30 L32 Y200 I243 Q249 A269 L272	Y25-Y247 HydrophobicContact CD1-CE2 4.28Å; I30-Y247 WeakPolarHBondContact O-CE2 3.2Å; I30-Y247 PolarHBondContact O-OH 3.29Å; I30-Y247 VanDerWaalsContact O-OH 3.14Å; L32-Y247 HydrophobicContact CD2-CG 4.44Å; Y200-Y247 PolarHBondContact OH-O 2.88Å; I243-Y247 WeakPolarHBondContact O-CB 3.45Å; I243-Y247 PolarHBondContact O-N 2.94Å; Y247-Q249 HydrophobicContact CE1-CB 4.46Å; Y247-A269 HydrophobicContact CD1-CB 3.73Å; Y247-A269 HydrophobicContact CG-CB 4.2Å; Y247-L272 HydrophobicContact CD1-CD1 4.28Å; Y247-L272 HydrophobicContact CE1-CD1 3.77Å; Y247-L272 HydrophobicContact CE2-CD1 4.06Å
248	L	84.3	Confident	78.5	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	118.4	-175.6	169.5	60.7	0	0	0	108.6	A26 L169 L197 Y200 L246 V250 Y266 L315	A26-L248 HydrophobicContact CB-CB 3.92Å; A26-L248 PolarHBondContact N-O 2.89Å; L169-L248 HydrophobicContact CD2-CD2 3.56Å; L197-L248 HydrophobicContact CD1-CD2 4.25Å; Y200-L248 HydrophobicContact CE1-CB 4.35Å; Y200-L248 HydrophobicContact CE2-CD1 3.75Å; Y200-L248 HydrophobicContact CE2-CD2 4.35Å; Y200-L248 HydrophobicContact CE2-CG 4.43Å; L246-L248 PolarHBondContact O-N 3.34Å; L248-V250 HydrophobicContact CD1-CG2 4.2Å; L248-V250 HydrophobicContact CD2-CG2 4.28Å; L248-V250 HydrophobicContact CG-CG2 3.99Å; L248-Y266 HydrophobicContact CD1-CD2 3.52Å; L248-Y266 HydrophobicContact CD1-CE2 4.48Å; L248-Y266 HydrophobicContact CD1-CG 3.84Å; L248-L315 HydrophobicContact CD2-CD2 4.07Å
249	Q	86.6	Confident	78.9	Confident	28 Å²	28	39.5 Å²	39.5	13%	0.131	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	121.9	172.1	-176.3	-167.5	43.5	0	0	109	Y25 Y247 I251 Y266 K267	Y25-Q249 HydrophobicContact CD1-CB 4.28Å; Y25-Q249 HydrophobicContact CD1-CG 4.08Å; Y25-Q249 HydrophobicContact CE1-CB 4.24Å; Y25-Q249 HydrophobicContact CE1-CG 3.68Å; Y25-Q249 PolarHBondContact OH-NE2 2.73Å; Y247-Q249 HydrophobicContact CE1-CB 4.46Å; Q249-I251 HydrophobicContact CG-CG1 4.45Å; Q249-Y266 CarbonylContact O-C 3.38Å; Q249-Y266 WeakPolarHBondContact O-CA 3.34Å; Q249-Y266 WeakPolarHBondContact O-CB 3.27Å; Q249-K267 HydrophobicContact CB-CB 4.42Å; Q249-K267 PolarHBondContact N-O 3.17Å; Q249-K267 VanDerWaalsContact N-O 3.11Å; Q249-K267 PolarHBondContact O-N 2.75Å
250	V	87	Confident	79.2	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128	177.7	177.5	0	0	0	0	109.6	Q23 V24 L167 L248 C252 L294 L315 I317	Q23-V250 WeakPolarHBondContact CA-O 3.32Å; V24-V250 HydrophobicContact CB-CB 4.38Å; V24-V250 PolarHBondContact N-O 3.04Å; V24-V250 PolarHBondContact O-N 3.22Å; L167-V250 HydrophobicContact CD2-CG1 4.43Å; L167-V250 HydrophobicContact CD2-CG2 3.67Å; L248-V250 HydrophobicContact CD1-CG2 4.2Å; L248-V250 HydrophobicContact CD2-CG2 4.28Å; L248-V250 HydrophobicContact CG-CG2 3.99Å; V250-C252 HydrophobicContact CG1-CB 4.47Å; V250-L294 HydrophobicContact CG1-CD1 3.63Å; V250-L315 HydrophobicContact CG2-CD2 3.86Å; V250-I317 HydrophobicContact CB-CD1 4.36Å; V250-I317 HydrophobicContact CG1-CD1 4.06Å; V250-I317 HydrophobicContact CG2-CD1 4.47Å
251	I	85.9	Confident	79.7	Confident	11 Å²	11	40.2 Å²	40.2	6%	0.056	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	109.4	174.7	-53.6	-173.8	0	0	0	108.1	K21 R22 Q23 Q249 G264 Y265	K21-I251 HydrophobicContact CB-CG2 4.12Å; K21-I251 HydrophobicContact CD-CG2 3.8Å; K21-I251 HydrophobicContact CG-CG2 4.46Å; R22-I251 WeakPolarHBondContact O-CA 3.41Å; Q23-I251 HydrophobicContact CG-CG1 4.3Å; Q249-I251 HydrophobicContact CG-CG1 4.45Å; I251-G264 CarbonylContact O-C 3.59Å; I251-G264 WeakPolarHBondContact O-CA 3.36Å; I251-Y265 HydrophobicContact CB-CD1 4.44Å; I251-Y265 HydrophobicContact CB-CD2 4.41Å; I251-Y265 HydrophobicContact CB-CE1 4.01Å; I251-Y265 HydrophobicContact CB-CE2 4.02Å; I251-Y265 HydrophobicContact CD1-CE2 3.84Å; I251-Y265 HydrophobicContact CG1-CE2 4.27Å; I251-Y265 HydrophobicContact CG2-CE1 3.92Å; I251-Y265 PolarHBondContact N-O 2.97Å; I251-Y265 PolarHBondContact O-N 3.27Å
252	C	87.3	Confident	80.4	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.02	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	172.7	-176.3	65.5	0	0	0	0	112.5	K21 R22 V250 F262	K21-C252 CarbonylContact C-O 3.47Å; K21-C252 WeakPolarHBondContact CA-O 3.46Å; R22-C252 PolarHBondContact N-O 3.44Å; R22-C252 PolarHBondContact O-N 2.87Å; V250-C252 HydrophobicContact CG1-CB 4.47Å; C252-F262 HydrophobicContact CB-CE2 3.72Å; C252-F262 HydrophobicContact CB-CZ 3.77Å
253	E	86.7	Confident	80.9	Confident	48 Å²	48	43.8 Å²	43.8	22%	0.224	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	169.2	168.7	63.6	-178.2	154.2	0	0	112.6	N256 F262 Q263 Y318	E253-N256 PolarHBondContact OE1-ND2 3.43Å; E253-N256 PolarHBondContact OE2-ND2 3.08Å; E253-F262 WeakPolarHBondContact OE1-CA 3.21Å; E253-Q263 PolarHBondContact N-O 3.49Å; E253-Q263 PolarHBondContact OE1-N 3.33Å; E253-Q263 VanDerWaalsContact OE1-N 3.16Å; E253-Y318 PolarHBondContact O-OH 3.08Å
254	Q	86.9	Confident	81.3	Confident	84 Å²	84	44 Å²	44	39%	0.393	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-74.4	152.2	166.9	-70.8	-65.8	-12.7	0	0	110.3	K21 N256	K21-Q254 PolarHBondContact O-NE2 3.49Å; K21-Q254 VanDerWaalsContact O-NE2 3.16Å; Q254-N256 PolarHBondContact O-N 3.31Å
255	P	85.7	Confident	81.8	Confident	33 Å²	33	43.6 Å²	43.6	21%	0.214	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-60.2	129.6	-172.8	24.7	-34.6	0	0	0	112.1	Y318 D322 L327	P255-Y318 HydrophobicContact CB-CD1 3.85Å; P255-Y318 HydrophobicContact CB-CE1 3.74Å; P255-Y318 HydrophobicContact CB-CG 4.39Å; P255-Y318 HydrophobicContact CG-CD1 4.41Å; P255-Y318 HydrophobicContact CG-CE1 4.28Å; P255-D322 HydrophobicContact CB-CB 4.07Å; P255-D322 WeakPolarHBondContact CB-O 3.46Å; P255-D322 HydrophobicContact CG-CB 3.96Å; P255-L327 HydrophobicContact CB-CD1 4.14Å
256	N	82.7	Confident	82.3	Confident	27 Å²	27	39.1 Å²	39.1	14%	0.144	20%	0.203	C	C	.	.			trans	-119.9	156.4	-172.5	63.4	16.5	0	0	0	112.5	E253 Q254 N258 S261 K324	E253-N256 PolarHBondContact OE1-ND2 3.43Å; E253-N256 PolarHBondContact OE2-ND2 3.08Å; Q254-N256 PolarHBondContact O-N 3.31Å; N256-N258 VanDerWaalsContact C-N 3.35Å; N256-N258 PolarHBondContact OD1-O 2.91Å; N256-S261 PolarHBondContact ND2-O 2.88Å; N256-S261 PolarHBondContact ND2-OG 3.31Å; N256-S261 VanDerWaalsContact ND2-OG 3.14Å; N256-S261 PolarHBondContact OD1-O 3.23Å; N256-K324 WeakPolarHBondContact OD1-CE 3.45Å; N256-K324 PolarHBondContact OD1-NZ 3.14Å
257	E	76.5	Confident	82.4	Confident	82 Å²	82	40.5 Å²	40.5	38%	0.383	21%	0.209	S	C	.	.	S	Bend	trans	-74.6	-23.3	-179.7	-80.7	157.2	-139.4	0	0	113.2	L259 L327 N328 K331	E257-L259 PolarHBondContact O-N 3.13Å; E257-L327 HydrophobicContact CG-CB 3.84Å; E257-N328 PolarHBondContact O-ND2 3.27Å; E257-N328 PolarHBondContact O-OD1 3.03Å; E257-K331 WeakPolarHBondContact OE1-CE 3.42Å; E257-K331 IonicContact OE1-NZ 3.69Å; E257-K331 PolarHBondContact OE1-NZ 3.28Å; E257-K331 IonicContact OE2-NZ 3.35Å; E257-K331 PolarHBondContact OE2-NZ 3.04Å
258	N	71.3	Confident	82.1	Confident	76 Å²	76	40.5 Å²	40.5	41%	0.406	21%	0.21	S	C	.	.			trans	-79	112.7	-176.3	175.8	19.2	0	0	0	111.3	N256 T260 S261 K324	N256-N258 VanDerWaalsContact C-N 3.35Å; N256-N258 PolarHBondContact OD1-O 2.91Å; N258-T260 PolarHBondContact ND2-OG1 3.05Å; N258-T260 PolarHBondContact O-N 2.99Å; N258-T260 PolarHBondContact OD1-N 2.87Å; N258-T260 PolarHBondContact OD1-OG1 2.81Å; N258-S261 WeakPolarHBondContact CB-OG 3.28Å; N258-S261 WeakPolarHBondContact ND2-CB 3.49Å; N258-S261 PolarHBondContact ND2-N 3.42Å; N258-S261 PolarHBondContact ND2-OG 3.12Å; N258-S261 PolarHBondContact O-N 3.46Å; N258-K324 PolarHBondContact O-NZ 2.98Å
259	L	75.6	Confident	81.3	Confident	45 Å²	45	41 Å²	41	24%	0.236	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-38.6	177.7	-58.9	174	0	0	0	112.2	L185 D186 E257 L301 K324	L185-L259 WeakPolarHBondContact O-CD1 3.49Å; D186-L259 HydrophobicContact CB-CD1 4.49Å; E257-L259 PolarHBondContact O-N 3.13Å; L259-L301 HydrophobicContact CB-CD1 4.18Å; L259-L301 HydrophobicContact CD2-CD1 3.97Å; L259-K324 HydrophobicContact CD2-CB 3.93Å; L259-K324 PolarHBondContact O-NZ 3.46Å; L259-K324 VanDerWaalsContact O-NZ 3.13Å
260	T	75	Confident	80	Confident	94 Å²	94	47.6 Å²	47.6	58%	0.577	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-17	-171.6	62.7	0	0	0	0	116	N258 Y296	N258-T260 PolarHBondContact ND2-OG1 3.05Å; N258-T260 PolarHBondContact O-N 2.99Å; N258-T260 PolarHBondContact OD1-N 2.87Å; N258-T260 PolarHBondContact OD1-OG1 2.81Å; T260-Y296 WeakPolarHBondContact O-CB 3.42Å; T260-Y296 WeakPolarHBondContact O-CD1 3.4Å
261	S	77.2	Confident	78.4	Confident	34 Å²	34	51.4 Å²	51.4	24%	0.238	26%	0.263	C	S	.	.			trans	-98.9	116.5	178.2	53.8	0	0	0	0	111.2	N256 N258 K324	N256-S261 PolarHBondContact ND2-O 2.88Å; N256-S261 PolarHBondContact ND2-OG 3.31Å; N256-S261 VanDerWaalsContact ND2-OG 3.14Å; N256-S261 PolarHBondContact OD1-O 3.23Å; N258-S261 WeakPolarHBondContact CB-OG 3.28Å; N258-S261 WeakPolarHBondContact ND2-CB 3.49Å; N258-S261 PolarHBondContact ND2-N 3.42Å; N258-S261 PolarHBondContact ND2-OG 3.12Å; N258-S261 PolarHBondContact O-N 3.46Å; S261-K324 PolarHBondContact O-NZ 3.17Å
262	F	84.6	Confident	76.8	Confident	6 Å²	6	54 Å²	54	3%	0.026	28%	0.277	C	S	.	.			trans	-135.8	124.2	161.9	179.5	-114.8	0	0	0	108.4	L167 C252 E253 L294 Y296 L299 Y318	L167-F262 HydrophobicContact CD1-CE1 4.42Å; C252-F262 HydrophobicContact CB-CE2 3.72Å; C252-F262 HydrophobicContact CB-CZ 3.77Å; E253-F262 WeakPolarHBondContact OE1-CA 3.21Å; F262-L294 HydrophobicContact CE1-CB 4.06Å; F262-L294 HydrophobicContact CE1-CD1 4.28Å; F262-Y296 PolarHBondContact O-N 3.01Å; F262-L299 HydrophobicContact CB-CB 4.49Å; F262-L299 HydrophobicContact CB-CD2 4.02Å; F262-L299 HydrophobicContact CD1-CB 3.76Å; F262-L299 HydrophobicContact CD1-CD2 4.18Å; F262-L299 HydrophobicContact CD1-CG 4.4Å; F262-L299 HydrophobicContact CD2-CD2 3.76Å; F262-L299 HydrophobicContact CE1-CB 4.12Å; F262-L299 HydrophobicContact CE1-CD1 4.33Å; F262-L299 HydrophobicContact CE2-CD1 4.47Å; F262-L299 HydrophobicContact CE2-CD2 4.21Å; F262-L299 HydrophobicContact CG-CB 4.13Å; F262-L299 HydrophobicContact CG-CD2 3.72Å; F262-L299 HydrophobicContact CG-CG 4.43Å; F262-L299 HydrophobicContact CZ-CD1 4.24Å; F262-Y318 HydrophobicContact CD2-CE2 4.31Å; F262-Y318 HydrophobicContact CE2-CE2 4.05Å
263	Q	81.7	Confident	74.8	Confident	138 Å²	138	59.9 Å²	59.9	65%	0.645	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.9	139.1	178	-65.6	-175	-4.7	0	0	110.9	E253	E253-Q263 PolarHBondContact N-O 3.49Å; E253-Q263 PolarHBondContact OE1-N 3.33Å; E253-Q263 VanDerWaalsContact OE1-N 3.16Å
264	G	82.5	Confident	72.6	Confident	19 Å²	19	63.4 Å²	63.4	20%	0.196	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.7	-173.4	177.2	0	0	0	0	0	111	I251 L294	I251-G264 CarbonylContact O-C 3.59Å; I251-G264 WeakPolarHBondContact O-CA 3.36Å; G264-L294 PolarHBondContact O-N 3.22Å
265	Y	84	Confident	70.3	Confident	61 Å²	61	63.1 Å²	63.1	24%	0.239	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	165.5	171.9	55.2	-79.5	0	0	0	109.5	K21 I251 C291 F292	K21-Y265 PolarHBondContact NZ-OH 3.03Å; I251-Y265 HydrophobicContact CB-CD1 4.44Å; I251-Y265 HydrophobicContact CB-CD2 4.41Å; I251-Y265 HydrophobicContact CB-CE1 4.01Å; I251-Y265 HydrophobicContact CB-CE2 4.02Å; I251-Y265 HydrophobicContact CD1-CE2 3.84Å; I251-Y265 HydrophobicContact CG1-CE2 4.27Å; I251-Y265 HydrophobicContact CG2-CE1 3.92Å; I251-Y265 PolarHBondContact N-O 2.97Å; I251-Y265 PolarHBondContact O-N 3.27Å; Y265-C291 HydrophobicContact CD2-CB 3.84Å; Y265-C291 HydrophobicContact CG-CB 4.38Å; Y265-F292 CarbonylContact C-O 3.53Å; Y265-F292 WeakPolarHBondContact CA-O 3.37Å; Y265-F292 WeakPolarHBondContact CB-O 3.43Å
266	Y	86.8	Confident	68.1	Low	13 Å²	13	67.8 Å²	67.8	5%	0.051	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	153.5	173.2	68	-84.2	0	0	0	112.7	L197 Y200 L248 Q249 T268 F292 L294	L197-Y266 HydrophobicContact CD1-CD1 4.2Å; L197-Y266 HydrophobicContact CD1-CD2 4.49Å; L197-Y266 HydrophobicContact CD1-CE1 4.01Å; L197-Y266 HydrophobicContact CD1-CE2 4.33Å; L197-Y266 HydrophobicContact CD1-CG 4.43Å; L197-Y266 HydrophobicContact CD2-CD1 4.42Å; L197-Y266 HydrophobicContact CD2-CE1 3.82Å; L197-Y266 HydrophobicContact CG-CE1 4.42Å; Y200-Y266 HydrophobicContact CD2-CE2 4.33Å; Y200-Y266 HydrophobicContact CE2-CD2 4.1Å; Y200-Y266 AromaticContact CE2-CE2 3.82Å; Y200-Y266 HydrophobicContact CE2-CE2 3.82Å; L248-Y266 HydrophobicContact CD1-CD2 3.52Å; L248-Y266 HydrophobicContact CD1-CE2 4.48Å; L248-Y266 HydrophobicContact CD1-CG 3.84Å; Q249-Y266 CarbonylContact O-C 3.38Å; Q249-Y266 WeakPolarHBondContact O-CA 3.34Å; Q249-Y266 WeakPolarHBondContact O-CB 3.27Å; Y266-T268 HydrophobicContact CE2-CG2 4.44Å; Y266-F292 HydrophobicContact CD1-CB 3.73Å; Y266-F292 WeakPolarHBondContact CD1-O 3.47Å; Y266-F292 HydrophobicContact CD2-CB 4.28Å; Y266-F292 HydrophobicContact CD2-CD2 4.36Å; Y266-F292 HydrophobicContact CE1-CB 3.25Å; Y266-F292 HydrophobicContact CE1-CG 4.27Å; Y266-F292 HydrophobicContact CE2-CB 3.84Å; Y266-F292 AromaticContact CE2-CD2 3.84Å; Y266-F292 HydrophobicContact CE2-CD2 3.84Å; Y266-F292 HydrophobicContact CE2-CG 4.1Å; Y266-F292 HydrophobicContact CG-CB 4.23Å; Y266-F292 AromaticContact CZ-CG 3.83Å; Y266-F292 PolarHBondContact N-O 3.3Å; Y266-F292 PolarHBondContact O-N 3.42Å; Y266-F292 VanDerWaalsContact O-N 3.11Å; Y266-L294 HydrophobicContact CD1-CD1 4.49Å; Y266-L294 HydrophobicContact CD1-CD2 3.46Å; Y266-L294 VanDerWaalsContact CD1-CD2 3.46Å; Y266-L294 HydrophobicContact CD1-CG 3.92Å; Y266-L294 HydrophobicContact CE1-CD2 3.83Å
267	K	80.4	Confident	66	Low	31 Å²	31	72.7 Å²	72.7	14%	0.135	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	145.7	174.3	-62.1	-169.6	175.4	-175.3	0	110	Q249 E289 C291	Q249-K267 HydrophobicContact CB-CB 4.42Å; Q249-K267 PolarHBondContact N-O 3.17Å; Q249-K267 VanDerWaalsContact N-O 3.11Å; Q249-K267 PolarHBondContact O-N 2.75Å; K267-E289 WeakPolarHBondContact CE-OE2 3.49Å; K267-E289 IonicContact NZ-OE1 2.71Å; K267-E289 PolarHBondContact NZ-OE1 3.36Å; K267-E289 IonicContact NZ-OE2 3.07Å; K267-E289 PolarHBondContact NZ-OE2 3.25Å; K267-C291 VanDerWaalsContact CE-SG 3.54Å
268	T	76.2	Confident	64.4	Low	17 Å²	17	72.1 Å²	72.1	10%	0.104	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	167.6	179.9	52.6	0	0	0	0	111.6	Y200 Y266 Q270 H271	Y200-T268 HydrophobicContact CE2-CG2 4.38Å; Y266-T268 HydrophobicContact CE2-CG2 4.44Å; T268-Q270 VanDerWaalsContact C-N 3.27Å; T268-Q270 PolarHBondContact O-N 2.86Å; T268-H271 PolarHBondContact O-CD2 3.35Å
269	A	66.2	Low	63	Low	11 Å²	11	74.5 Å²	74.5	9%	0.091	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-65.8	-20.6	-173.4	0	0	0	0	0	115.9	E244 Y247 H271 L272	E244-A269 HydrophobicContact CB-CB 4.28Å; E244-A269 WeakPolarHBondContact O-CB 3.19Å; Y247-A269 HydrophobicContact CD1-CB 3.73Å; Y247-A269 HydrophobicContact CG-CB 4.2Å; A269-H271 PolarHBondContact O-N 2.83Å; A269-L272 PolarHBondContact O-N 3.16Å; A269-L272 VanDerWaalsContact O-N 3.11Å
270	Q	60.1	Low	61.4	Low	166 Å²	166	79.2 Å²	79.2	78%	0.776	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-57.7	-14.3	-176.1	-69.7	175.8	-30	0	0	114	T268	T268-Q270 VanDerWaalsContact C-N 3.27Å; T268-Q270 PolarHBondContact O-N 2.86Å
271	H	53.2	Low	60	Low	81 Å²	81	84.2 Å²	84.2	38%	0.375	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-90	-5.8	-178.7	-64.3	-71	0	0	0	115.3	T268 A269 T290	T268-H271 PolarHBondContact O-CD2 3.35Å; A269-H271 PolarHBondContact O-N 2.83Å; H271-T290 PolarHBondContact CE1-OG1 2.93Å; H271-T290 PolarHBondContact NE2-OG1 2.95Å
272	L	52.9	Low	58.4	Low	65 Å²	65	90 Å²	90	34%	0.34	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-15.3	-176	-90.8	160.7	0	0	0	115.1	L32 Y247 A269	L32-L272 HydrophobicContact CG-CD1 4.23Å; Y247-L272 HydrophobicContact CD1-CD1 4.28Å; Y247-L272 HydrophobicContact CE1-CD1 3.77Å; Y247-L272 HydrophobicContact CE2-CD1 4.06Å; A269-L272 PolarHBondContact O-N 3.16Å; A269-L272 VanDerWaalsContact O-N 3.11Å
273	N	45.4	Very low	55.9	Low	126 Å²	126	93.8 Å²	93.8	67%	0.674	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	16.1	-172.1	-74	-18.1	0	0	0	114.9
274	V	40.5	Very low	53.7	Low	123 Å²	123	92 Å²	92	75%	0.745	55%	0.549	S	S	*	.			trans	-105.6	110.8	174.3	-174.6	0	0	0	0	109.5
275	A	37.4	Very low	51.4	Low	77 Å²	77	100 Å²	100	64%	0.636	58%	0.58	S	S	*	*			trans	-65.7	142.2	175.7	0	0	0	0	0	110.8	V277	A275-V277 PolarHBondContact O-N 3.4Å
276	P	39.6	Very low	49.1	Very low	132 Å²	132	105 Å²	105	86%	0.857	61%	0.612	S	S	*	*			trans	-70.4	104.5	178	28.8	-33.4	0	0	0	110
277	V	39.4	Very low	46.6	Very low	130 Å²	130	107.6 Å²	107.6	79%	0.788	64%	0.642	S	S	*	*			trans	-68.1	142.5	165.8	-177.7	0	0	0	0	108.2	A275	A275-V277 PolarHBondContact O-N 3.4Å
278	A	41.8	Very low	44.6	Very low	70 Å²	70	113.4 Å²	113.4	58%	0.579	68%	0.675	S	S	*	*			trans	-61.1	150.8	-179.6	0	0	0	0	0	111.3	D280	A278-D280 PolarHBondContact O-N 2.78Å
279	P	41.6	Very low	43.2	Very low	126 Å²	126	118.4 Å²	118.4	82%	0.818	70%	0.697	S	S	*	*			trans	-75.6	93.4	179.9	31	-33.7	0	0	0	110.7
280	D	42.2	Very low	42.9	Very low	143 Å²	143	121.1 Å²	121.1	77%	0.765	71%	0.712	S	S	*	*			trans	-69.6	144.8	162.2	-67.6	-34.6	0	0	0	109.5	A278 D282	A278-D280 PolarHBondContact O-N 2.78Å; D280-D282 VanDerWaalsContact C-N 3.27Å; D280-D282 PolarHBondContact O-N 3.22Å
281	E	45.9	Very low	43.2	Very low	199 Å²	199	115.5 Å²	115.5	93%	0.93	69%	0.691	S	S	*	*	S	Bend	trans	-75.5	2.8	-156.8	-63.5	-171.6	127.5	0	0	116.6	G283	E281-G283 PolarHBondContact O-N 2.92Å
282	D	43.1	Very low	44.4	Very low	155 Å²	155	114.8 Å²	114.8	83%	0.829	69%	0.687	S	S	*	*			trans	-95.9	89.9	-177.3	-75	-39.1	0	0	0	112.6	D280 S284	D280-D282 VanDerWaalsContact C-N 3.27Å; D280-D282 PolarHBondContact O-N 3.22Å; D282-S284 PolarHBondContact O-N 2.88Å
283	G	33.2	Very low	45.8	Very low	86 Å²	86	116.6 Å²	116.6	89%	0.887	70%	0.703	S	S	*	*			trans	-75.2	84.5	-172.4	0	0	0	0	0	116.2	E281	E281-G283 PolarHBondContact O-N 2.92Å
284	S	34.3	Very low	47.7	Very low	101 Å²	101	111 Å²	111	71%	0.706	67%	0.672	S	S	*	*			trans	-158.7	66.9	158.1	66.4	0	0	0	0	114.7	D282	D282-S284 PolarHBondContact O-N 2.88Å
285	H	35.5	Very low	49.8	Very low	186 Å²	186	108.2 Å²	108.2	86%	0.861	66%	0.656	S	S	*	*			trans	-137.5	80.5	166.6	-81.9	-61.5	0	0	0	111.7	G287	H285-G287 PolarHBondContact O-N 2.96Å
286	D	35.7	Very low	52.1	Low	168 Å²	168	109.2 Å²	109.2	90%	0.898	64%	0.644	S	S	*	*			trans	-69.5	106.4	160.3	-85.3	-33.5	0	0	0	108.5	D288	D286-D288 PolarHBondContact O-N 2.87Å
287	G	33.6	Very low	54.4	Low	67 Å²	67	107.5 Å²	107.5	69%	0.691	62%	0.623	S	S	*	*			trans	-77.3	115.1	165.9	0	0	0	0	0	109.5	H285 E289	H285-G287 PolarHBondContact O-N 2.96Å; G287-E289 PolarHBondContact O-N 2.88Å
288	D	38.1	Very low	56.9	Low	153 Å²	153	102.3 Å²	102.3	82%	0.818	59%	0.591	S	S	*	*			trans	-56.5	96.4	-175	-84.9	-43.2	0	0	0	113.2	D286 T290	D286-D288 PolarHBondContact O-N 2.87Å; D288-T290 PolarHBondContact O-N 3.14Å; D288-T290 VanDerWaalsContact O-N 3.07Å
289	E	48.3	Very low	59.2	Low	122 Å²	122	99.2 Å²	99.2	57%	0.57	56%	0.564	S	S	*	*			trans	-66.1	105	172.9	-64.6	-159.3	139.5	0	0	110.6	K267 G287 C291	K267-E289 WeakPolarHBondContact CE-OE2 3.49Å; K267-E289 IonicContact NZ-OE1 2.71Å; K267-E289 PolarHBondContact NZ-OE1 3.36Å; K267-E289 IonicContact NZ-OE2 3.07Å; K267-E289 PolarHBondContact NZ-OE2 3.25Å; G287-E289 PolarHBondContact O-N 2.88Å; E289-C291 VanDerWaalsContact C-N 3.27Å; E289-C291 PolarHBondContact O-N 3.39Å
290	T	58.2	Low	61.6	Low	67 Å²	67	93.2 Å²	93.2	41%	0.411	53%	0.525	S	S	.	.			trans	-70.5	77	177.7	54.6	0	0	0	0	112.7	H271 D288	H271-T290 PolarHBondContact CE1-OG1 2.93Å; H271-T290 PolarHBondContact NE2-OG1 2.95Å; D288-T290 PolarHBondContact O-N 3.14Å; D288-T290 VanDerWaalsContact O-N 3.07Å
291	C	67.2	Low	64	Low	49 Å²	49	86.9 Å²	86.9	33%	0.331	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-87.8	121.6	178.7	-67.4	0	0	0	0	111.6	Y265 K267 E289	Y265-C291 HydrophobicContact CD2-CB 3.84Å; Y265-C291 HydrophobicContact CG-CB 4.38Å; K267-C291 VanDerWaalsContact CE-SG 3.54Å; E289-C291 VanDerWaalsContact C-N 3.27Å; E289-C291 PolarHBondContact O-N 3.39Å
292	F	78.4	Confident	65.9	Low	65 Å²	65	78.5 Å²	78.5	29%	0.285	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	126.6	178.6	-64.4	-74.9	0	0	0	111.4	Q199 Y265 Y266	Q199-F292 VanDerWaalsContact NE2-CE2 3.27Å; Y265-F292 CarbonylContact C-O 3.53Å; Y265-F292 WeakPolarHBondContact CA-O 3.37Å; Y265-F292 WeakPolarHBondContact CB-O 3.43Å; Y266-F292 HydrophobicContact CD1-CB 3.73Å; Y266-F292 WeakPolarHBondContact CD1-O 3.47Å; Y266-F292 HydrophobicContact CD2-CB 4.28Å; Y266-F292 HydrophobicContact CD2-CD2 4.36Å; Y266-F292 HydrophobicContact CE1-CB 3.25Å; Y266-F292 HydrophobicContact CE1-CG 4.27Å; Y266-F292 HydrophobicContact CE2-CB 3.84Å; Y266-F292 AromaticContact CE2-CD2 3.84Å; Y266-F292 HydrophobicContact CE2-CD2 3.84Å; Y266-F292 HydrophobicContact CE2-CG 4.1Å; Y266-F292 HydrophobicContact CG-CB 4.23Å; Y266-F292 AromaticContact CZ-CG 3.83Å; Y266-F292 PolarHBondContact N-O 3.3Å; Y266-F292 PolarHBondContact O-N 3.42Å; Y266-F292 VanDerWaalsContact O-N 3.11Å
293	P	83.4	Confident	67.6	Low	104 Å²	104	71.8 Å²	71.8	68%	0.675	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	142.5	-175.1	29.1	-35.2	0	0	0	112.6
294	L	85.3	Confident	70.1	Confident	7 Å²	7	67.8 Å²	67.8	4%	0.037	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	134	172.9	-64.9	-180	0	0	0	110.7	L167 L197 V250 F262 G264 Y266	L167-L294 HydrophobicContact CD1-CD1 4.07Å; L167-L294 HydrophobicContact CD1-CD2 3.93Å; L167-L294 HydrophobicContact CD2-CD1 4Å; L167-L294 HydrophobicContact CD2-CD2 4.38Å; L197-L294 HydrophobicContact CD2-CD2 3.57Å; V250-L294 HydrophobicContact CG1-CD1 3.63Å; F262-L294 HydrophobicContact CE1-CB 4.06Å; F262-L294 HydrophobicContact CE1-CD1 4.28Å; G264-L294 PolarHBondContact O-N 3.22Å; Y266-L294 HydrophobicContact CD1-CD1 4.49Å; Y266-L294 HydrophobicContact CD1-CD2 3.46Å; Y266-L294 VanDerWaalsContact CD1-CD2 3.46Å; Y266-L294 HydrophobicContact CD1-CG 3.92Å; Y266-L294 HydrophobicContact CE1-CD2 3.83Å
295	T	84.3	Confident	72.4	Confident	66 Å²	66	66.5 Å²	66.5	41%	0.405	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	160.7	176.2	-56.3	0	0	0	0	109.7	K297 N298	T295-K297 PolarHBondContact O-N 2.65Å; T295-N298 PolarHBondContact N-OD1 3.33Å; T295-N298 VanDerWaalsContact N-OD1 3.13Å; T295-N298 WeakPolarHBondContact O-CB 3.09Å; T295-N298 PolarHBondContact O-N 3.13Å; T295-N298 PolarHBondContact O-OD1 2.8Å
296	Y	85.9	Confident	74.8	Confident	97 Å²	97	57.6 Å²	57.6	38%	0.38	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-52.6	-27.7	173.9	80.3	-84.9	0	0	0	114.3	Y194 T260 F262 N298 L299	Y194-Y296 WeakPolarHBondContact CE1-O 3.3Å; T260-Y296 WeakPolarHBondContact O-CB 3.42Å; T260-Y296 WeakPolarHBondContact O-CD1 3.4Å; F262-Y296 PolarHBondContact O-N 3.01Å; Y296-N298 PolarHBondContact O-N 3.1Å; Y296-N298 VanDerWaalsContact O-N 3.1Å; Y296-L299 PolarHBondContact O-N 2.96Å
297	K	87.7	Confident	77	Confident	97 Å²	97	51.2 Å²	51.2	42%	0.422	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-64.3	-8.5	173.3	-68.1	-169.3	175.5	-174.7	0	114.6	Y194 N195 T295	Y194-K297 WeakPolarHBondContact CA-O 3.39Å; Y194-K297 WeakPolarHBondContact CB-O 3.42Å; Y194-K297 WeakPolarHBondContact CD1-O 3.39Å; N195-K297 PolarHBondContact N-O 2.91Å; T295-K297 PolarHBondContact O-N 2.65Å
298	N	90.2	Very high	79	Confident	21 Å²	21	51.3 Å²	51.3	11%	0.112	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-102.5	-12	173.1	-51	110	0	0	0	112.7	L167 L168 N195 L197 T295 Y296	L167-N298 HydrophobicContact CD1-CB 3.86Å; L168-N298 PolarHBondContact N-O 2.85Å; N195-N298 PolarHBondContact O-ND2 2.84Å; L197-N298 HydrophobicContact CD2-CB 4.42Å; T295-N298 PolarHBondContact N-OD1 3.33Å; T295-N298 VanDerWaalsContact N-OD1 3.13Å; T295-N298 WeakPolarHBondContact O-CB 3.09Å; T295-N298 PolarHBondContact O-N 3.13Å; T295-N298 PolarHBondContact O-OD1 2.8Å; Y296-N298 PolarHBondContact O-N 3.1Å; Y296-N298 VanDerWaalsContact O-N 3.1Å
299	L	91.7	Very high	81.1	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	117.9	-177.4	-175.6	80.2	0	0	0	110.6	D165 L166 Y194 F262 Y296 L301 I317	D165-L299 HydrophobicContact CB-CD1 4.36Å; L166-L299 CarbonylContact O-C 3.59Å; L166-L299 WeakPolarHBondContact O-CA 3.31Å; Y194-L299 VanDerWaalsContact CE1-O 3.3Å; Y194-L299 WeakPolarHBondContact CE1-O 3.37Å; F262-L299 HydrophobicContact CB-CB 4.49Å; F262-L299 HydrophobicContact CB-CD2 4.02Å; F262-L299 HydrophobicContact CD1-CB 3.76Å; F262-L299 HydrophobicContact CD1-CD2 4.18Å; F262-L299 HydrophobicContact CD1-CG 4.4Å; F262-L299 HydrophobicContact CD2-CD2 3.76Å; F262-L299 HydrophobicContact CE1-CB 4.12Å; F262-L299 HydrophobicContact CE1-CD1 4.33Å; F262-L299 HydrophobicContact CE2-CD1 4.47Å; F262-L299 HydrophobicContact CE2-CD2 4.21Å; F262-L299 HydrophobicContact CG-CB 4.13Å; F262-L299 HydrophobicContact CG-CD2 3.72Å; F262-L299 HydrophobicContact CG-CG 4.43Å; F262-L299 HydrophobicContact CZ-CD1 4.24Å; Y296-L299 PolarHBondContact O-N 2.96Å; L299-L301 HydrophobicContact CD2-CD2 3.66Å; L299-L301 HydrophobicContact CG-CD2 4.2Å; L299-I317 HydrophobicContact CD1-CB 4.38Å; L299-I317 HydrophobicContact CD1-CG1 4.3Å
300	V	92.4	Very high	82.7	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	142.6	167.1	-169.5	0	0	0	0	109.7	F162 D165 L166 L168 I180	F162-V300 HydrophobicContact CB-CG1 4.39Å; F162-V300 HydrophobicContact CD1-CG1 4.23Å; F162-V300 HydrophobicContact CD2-CG1 3.21Å; F162-V300 HydrophobicContact CE1-CG1 4.37Å; F162-V300 HydrophobicContact CE2-CG1 3.39Å; F162-V300 HydrophobicContact CG-CG1 3.65Å; F162-V300 HydrophobicContact CZ-CG1 3.97Å; D165-V300 CarbonylContact C-O 3.6Å; D165-V300 VanDerWaalsContact CA-O 3.25Å; D165-V300 WeakPolarHBondContact CA-O 3.31Å; L166-V300 HydrophobicContact CB-CB 4.39Å; L166-V300 PolarHBondContact N-O 3.47Å; L166-V300 PolarHBondContact O-N 3.41Å; L168-V300 HydrophobicContact CD1-CG2 3.94Å; L168-V300 HydrophobicContact CD2-CG2 3.39Å; L168-V300 HydrophobicContact CG-CG2 3.59Å; I180-V300 HydrophobicContact CD1-CB 4.16Å; I180-V300 HydrophobicContact CD1-CG1 3.73Å; I180-V300 HydrophobicContact CD1-CG2 3.42Å; I180-V300 VanDerWaalsContact CD1-CG2 3.42Å
301	L	90.9	Very high	84.1	Confident	10 Å²	10	42.6 Å²	42.6	5%	0.052	22%	0.224	C	C	.	.			trans	-105.9	145.6	-177.2	-62.6	-179.7	0	0	0	111.3	D165 L185 L259 L299 G303 S304 K324	D165-L301 HydrophobicContact CB-CD2 4.37Å; L185-L301 HydrophobicContact CD1-CB 3.26Å; L185-L301 HydrophobicContact CD1-CD1 3.95Å; L185-L301 HydrophobicContact CD1-CG 4.23Å; L259-L301 HydrophobicContact CB-CD1 4.18Å; L259-L301 HydrophobicContact CD2-CD1 3.97Å; L299-L301 HydrophobicContact CD2-CD2 3.66Å; L299-L301 HydrophobicContact CG-CD2 4.2Å; L301-G303 PolarHBondContact O-N 3.19Å; L301-S304 WeakPolarHBondContact O-CB 3.35Å; L301-S304 PolarHBondContact O-N 2.77Å; L301-S304 PolarHBondContact O-OG 2.93Å; L301-K324 HydrophobicContact CD1-CD 4.3Å; L301-K324 HydrophobicContact CD2-CB 4.38Å; L301-K324 HydrophobicContact CD2-CD 3.72Å; L301-K324 HydrophobicContact CD2-CG 3.97Å
302	R	86.9	Confident	85.3	Confident	24 Å²	24	40.3 Å²	40.3	9%	0.091	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	131.8	179	177.9	175.3	156.1	-143.5	-15.5	111.7	I46 P163 D165 L185 G320 T323 L325 S326	I46-R302 VanDerWaalsContact CD1-NH2 3.28Å; I46-R302 VanDerWaalsContact CG1-NH2 3.34Å; P163-R302 VanDerWaalsContact O-CD 3.32Å; P163-R302 WeakPolarHBondContact O-CD 3.35Å; D165-R302 WeakPolarHBondContact OD1-CB 3.33Å; D165-R302 PolarHBondContact OD1-N 3.27Å; L185-R302 WeakPolarHBondContact CD2-O 3.45Å; R302-G320 PolarHBondContact NH1-O 2.98Å; R302-G320 VanDerWaalsContact NH1-O 3.15Å; R302-T323 HydrophobicContact CB-CG2 4.15Å; R302-T323 PolarHBondContact NH1-OG1 3.33Å; R302-L325 WeakPolarHBondContact O-CD2 3.45Å; R302-S326 PolarHBondContact NH1-OG 2.87Å
303	G	79.3	Confident	85.9	Confident	14 Å²	14	37.4 Å²	37.4	14%	0.144	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.6	-19.4	178.2	0	0	0	0	0	114.8	F162 N184 L301	F162-G303 PolarHBondContact O-N 2.89Å; N184-G303 WeakPolarHBondContact CB-O 3.21Å; N184-G303 PolarHBondContact ND2-O 3.04Å; L301-G303 PolarHBondContact O-N 3.19Å
304	S	85.1	Confident	86.3	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.007	16%	0.164	C	C	.	.			trans	-58.9	160.7	164.4	-55.9	0	0	0	0	110.8	S161 F162 N181 L185 L301	S161-S304 CarbonylContact C-O 3.06Å; S161-S304 VanDerWaalsContact CA-O 3.24Å; S161-S304 WeakPolarHBondContact CA-O 3.16Å; F162-S304 WeakPolarHBondContact CD2-O 3.48Å; F162-S304 PolarHBondContact N-O 2.94Å; N181-S304 WeakPolarHBondContact O-CA 3.49Å; N181-S304 WeakPolarHBondContact O-CB 3.24Å; L185-S304 WeakPolarHBondContact CD1-OG 3.39Å; L301-S304 WeakPolarHBondContact O-CB 3.35Å; L301-S304 PolarHBondContact O-N 2.77Å; L301-S304 PolarHBondContact O-OG 2.93Å
305	K	82.3	Confident	86.7	Confident	74 Å²	74	32.1 Å²	32.1	32%	0.322	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.4	-177.8	-162.3	-170	-169.6	-159.6	0	110.5	N159 Q160 N181	N159-K305 WeakPolarHBondContact O-CE 3.15Å; N159-K305 WeakPolarHBondContact OD1-CE 3.45Å; N159-K305 PolarHBondContact OD1-NZ 3.03Å; Q160-K305 WeakPolarHBondContact O-CA 3.41Å; N181-K305 PolarHBondContact N-O 2.74Å; N181-K305 PolarHBondContact O-N 2.62Å
306	L	86.4	Confident	87.2	Confident	0 Å²	0	29 Å²	29	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	132.2	170.8	-163.5	68.9	0	0	0	109.4	N159 Q160 F162 V178 T309 I312	N159-L306 VanDerWaalsContact CA-O 3.28Å; N159-L306 WeakPolarHBondContact CA-O 3.18Å; N159-L306 PolarHBondContact N-O 3.4Å; Q160-L306 PolarHBondContact O-N 3.2Å; F162-L306 HydrophobicContact CE1-CB 4.49Å; F162-L306 HydrophobicContact CE2-CB 4.48Å; F162-L306 HydrophobicContact CZ-CB 3.78Å; F162-L306 HydrophobicContact CZ-CD1 3.98Å; F162-L306 HydrophobicContact CZ-CG 4.44Å; V178-L306 HydrophobicContact CG1-CD1 3.48Å; V178-L306 VanDerWaalsContact CG1-CD1 3.48Å; L306-T309 VanDerWaalsContact CD1-OG1 3.24Å; L306-T309 WeakPolarHBondContact CD1-OG1 3.26Å; L306-T309 WeakPolarHBondContact CD2-O 3.06Å; L306-T309 WeakPolarHBondContact CG-OG1 3.45Å; L306-I312 HydrophobicContact CD1-CD1 4.25Å; L306-I312 HydrophobicContact CD1-CG1 4.29Å; L306-I312 HydrophobicContact CD1-CG2 3.8Å; L306-I312 HydrophobicContact CD2-CG1 4.25Å; L306-I312 HydrophobicContact CD2-CG2 4.13Å
307	I	81.4	Confident	87.5	Confident	33 Å²	33	24.4 Å²	24.4	17%	0.169	13%	0.125	C	C	.	.			trans	-137.6	152.2	176.4	-60.6	-164	0	0	0	108.2	Y179 N181 I191 T309	Y179-I307 CarbonylContact C-O 3.22Å; Y179-I307 WeakPolarHBondContact CB-O 3.49Å; Y179-I307 PolarHBondContact O-N 2.83Å; Y179-I307 VanDerWaalsContact O-N 3.09Å; N181-I307 HydrophobicContact CB-CD1 3.46Å; N181-I307 VanDerWaalsContact CB-CD1 3.46Å; N181-I307 HydrophobicContact CB-CG1 3.98Å; I191-I307 HydrophobicContact CD1-CG2 3.97Å; I307-T309 PolarHBondContact O-N 2.88Å; I307-T309 PolarHBondContact O-OG1 2.67Å
308	S	76.6	Confident	87.8	Confident	69 Å²	69	19.8 Å²	19.8	48%	0.483	11%	0.105	S	C	.	.	S	Bend	trans	51.5	23.2	174.6	-55.2	0	0	0	0	115.7
309	T	80.9	Confident	87.9	Confident	2 Å²	2	18.8 Å²	18.8	1%	0.012	10%	0.1	C	C	.	.			trans	-147.8	130.2	175.2	28	0	0	0	0	107.8	N158 H173 Y179 L306 I307	N158-T309 WeakPolarHBondContact CA-O 3.39Å; N158-T309 WeakPolarHBondContact CB-O 3.46Å; N158-T309 VanDerWaalsContact CG-O 3.3Å; H173-T309 HydrophobicContact CB-CG2 4.23Å; Y179-T309 HydrophobicContact CD2-CG2 4.24Å; L306-T309 VanDerWaalsContact CD1-OG1 3.24Å; L306-T309 WeakPolarHBondContact CD1-OG1 3.26Å; L306-T309 WeakPolarHBondContact CD2-O 3.06Å; L306-T309 WeakPolarHBondContact CG-OG1 3.45Å; I307-T309 PolarHBondContact O-N 2.88Å; I307-T309 PolarHBondContact O-OG1 2.67Å
310	D	83	Confident	87.7	Confident	101 Å²	101	18.7 Å²	18.7	54%	0.54	10%	0.1	S	C	.	.	S	Bend	trans	-73	-43.9	-165.3	-47.5	-63.8	0	0	0	112.1	F157 N158 S172	F157-D310 CarbonylContact C-O 3.49Å; F157-D310 WeakPolarHBondContact CA-O 3.11Å; N158-D310 PolarHBondContact N-O 3.16Å; S172-D310 PolarHBondContact OG-N 2.95Å; S172-D310 VanDerWaalsContact OG-N 3.15Å; S172-D310 PolarHBondContact OG-OD2 2.85Å
311	Y	87.4	Confident	87.3	Confident	56 Å²	56	26.5 Å²	26.5	22%	0.22	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	155.8	174.1	64.4	-80.4	0	0	0	111.8	C156 Y170 S172	C156-Y311 VanDerWaalsContact O-CA 3.27Å; C156-Y311 WeakPolarHBondContact O-CA 3.38Å; Y170-Y311 HydrophobicContact CD1-CE2 4.12Å; Y170-Y311 HydrophobicContact CE1-CD2 4.26Å; Y170-Y311 AromaticContact CE1-CE2 3.48Å; Y170-Y311 HydrophobicContact CE1-CE2 3.48Å; Y170-Y311 VanDerWaalsContact CE1-CE2 3.48Å; Y170-Y311 AromaticContact CE1-CZ 3.93Å; S172-Y311 PolarHBondContact N-O 2.69Å; S172-Y311 VanDerWaalsContact N-O 3.1Å
312	I	91.1	Very high	87.2	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	155.7	171.8	64.8	161.2	0	0	0	110.7	C155 C156 F162 L168 Y170 V178 L306	C155-I312 WeakPolarHBondContact CA-O 3.18Å; C156-I312 HydrophobicContact CB-CG1 4.08Å; C156-I312 PolarHBondContact N-O 3.14Å; C156-I312 PolarHBondContact O-N 2.8Å; F162-I312 HydrophobicContact CE1-CD1 3.57Å; F162-I312 HydrophobicContact CE1-CG1 4.22Å; F162-I312 HydrophobicContact CZ-CD1 3.91Å; L168-I312 HydrophobicContact CD2-CD1 3.5Å; Y170-I312 VanDerWaalsContact O-CA 3.3Å; Y170-I312 WeakPolarHBondContact O-CA 3.32Å; Y170-I312 WeakPolarHBondContact O-CB 3.44Å; V178-I312 HydrophobicContact CB-CG2 4.45Å; V178-I312 HydrophobicContact CG1-CD1 4.45Å; V178-I312 HydrophobicContact CG1-CG2 3.77Å; V178-I312 HydrophobicContact CG2-CG2 3.77Å; L306-I312 HydrophobicContact CD1-CD1 4.25Å; L306-I312 HydrophobicContact CD1-CG1 4.29Å; L306-I312 HydrophobicContact CD1-CG2 3.8Å; L306-I312 HydrophobicContact CD2-CG1 4.25Å; L306-I312 HydrophobicContact CD2-CG2 4.13Å
313	I	91.6	Very high	87.2	Confident	4 Å²	4	26.5 Å²	26.5	2%	0.021	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	131.9	169.8	-56.8	168.8	0	0	0	108.3	W140 I153 I154 L169 Y170 Y204	W140-I313 HydrophobicContact CH2-CD1 4.29Å; W140-I313 HydrophobicContact CH2-CG1 4.23Å; W140-I313 HydrophobicContact CH2-CG2 4.35Å; W140-I313 HydrophobicContact CZ2-CD1 4.21Å; I153-I313 HydrophobicContact CG2-CG2 3.41Å; I153-I313 VanDerWaalsContact CG2-CG2 3.41Å; I154-I313 WeakPolarHBondContact O-CA 3.22Å; L169-I313 PolarHBondContact N-O 2.69Å; Y170-I313 HydrophobicContact CD1-CD1 4.11Å; Y170-I313 HydrophobicContact CD1-CG1 4.32Å; Y170-I313 HydrophobicContact CG-CD1 4.42Å; Y170-I313 PolarHBondContact N-O 3.02Å; Y170-I313 VanDerWaalsContact N-O 3.16Å; Y170-I313 PolarHBondContact O-N 2.95Å; Y204-I313 HydrophobicContact CD1-CD1 4.22Å; Y204-I313 HydrophobicContact CD1-CG2 4.18Å; Y204-I313 HydrophobicContact CE1-CG2 4.36Å
314	G	91.9	Very high	87.4	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.01	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	150.1	-179	0	0	0	0	0	114.6	I154 L167	I154-G314 PolarHBondContact N-O 3.45Å; I154-G314 PolarHBondContact O-N 3.07Å; L167-G314 CarbonylContact O-C 3.52Å; L167-G314 WeakPolarHBondContact O-CA 3.29Å
315	L	93.7	Very high	87.2	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	130.5	178.2	173.4	67.5	0	0	0	110.7	V24 A26 G151 I153 L166 L167 L169 L248 V250 I317	V24-L315 HydrophobicContact CG1-CD2 4.36Å; A26-L315 HydrophobicContact CB-CD1 4.19Å; G151-L315 WeakPolarHBondContact O-CD1 3.41Å; I153-L315 HydrophobicContact CG1-CD1 3.93Å; L166-L315 CarbonylContact C-O 3.57Å; L166-L315 WeakPolarHBondContact CA-O 3.36Å; L167-L315 HydrophobicContact CB-CB 4.34Å; L167-L315 PolarHBondContact N-O 3.32Å; L167-L315 PolarHBondContact O-N 3.43Å; L169-L315 HydrophobicContact CD1-CB 4.14Å; L169-L315 HydrophobicContact CG-CB 4.43Å; L248-L315 HydrophobicContact CD2-CD2 4.07Å; V250-L315 HydrophobicContact CG2-CD2 3.86Å; L315-I317 HydrophobicContact CD2-CD1 4.03Å; L315-I317 HydrophobicContact CG-CD1 4.17Å; L315-I317 PolarHBondContact O-N 3.05Å
316	V	94.5	Very high	87	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	117.2	178.8	-179	0	0	0	0	111.3	N149 G151 D152 I154 C164 L166 T319	N149-V316 WeakPolarHBondContact O-CB 3.2Å; N149-V316 WeakPolarHBondContact O-CG1 3.48Å; G151-V316 PolarHBondContact N-O 3.29Å; D152-V316 HydrophobicContact CB-CG2 4.17Å; D152-V316 VanDerWaalsContact O-CG2 3.31Å; D152-V316 WeakPolarHBondContact O-CG2 3.37Å; D152-V316 PolarHBondContact O-N 3.25Å; I154-V316 HydrophobicContact CG2-CG2 4.43Å; C164-V316 HydrophobicContact CB-CG1 4.3Å; L166-V316 HydrophobicContact CD2-CB 4.32Å; L166-V316 HydrophobicContact CD2-CG2 3.67Å; V316-T319 HydrophobicContact CG1-CG2 3.46Å; V316-T319 VanDerWaalsContact CG1-CG2 3.46Å
317	I	92.7	Very high	86.5	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-54.3	179.5	-58.8	-59.6	0	0	0	111.9	R22 V24 V150 D165 L167 V250 L299 L315	R22-I317 PolarHBondContact NE-O 3.36Å; R22-I317 PolarHBondContact NH2-O 2.85Å; V24-I317 HydrophobicContact CB-CD1 4.2Å; V24-I317 HydrophobicContact CG1-CD1 4.12Å; V24-I317 HydrophobicContact CG2-CD1 4.33Å; V150-I317 WeakPolarHBondContact CG1-O 3.35Å; D165-I317 PolarHBondContact O-N 3.13Å; L167-I317 HydrophobicContact CB-CD1 4.12Å; L167-I317 HydrophobicContact CB-CG1 3.82Å; L167-I317 HydrophobicContact CD2-CD1 4.5Å; V250-I317 HydrophobicContact CB-CD1 4.36Å; V250-I317 HydrophobicContact CG1-CD1 4.06Å; V250-I317 HydrophobicContact CG2-CD1 4.47Å; L299-I317 HydrophobicContact CD1-CB 4.38Å; L299-I317 HydrophobicContact CD1-CG1 4.3Å; L315-I317 HydrophobicContact CD2-CD1 4.03Å; L315-I317 HydrophobicContact CG-CD1 4.17Å; L315-I317 PolarHBondContact O-N 3.05Å
318	Y	93.2	Very high	85.8	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	135	178.9	-53	-61.1	0	0	0	111.1	C164 D165 E253 P255 F262 D322 T323	C164-Y318 WeakPolarHBondContact CB-O 3.12Å; D165-Y318 HydrophobicContact CB-CD2 3.97Å; D165-Y318 HydrophobicContact CB-CG 4.47Å; D165-Y318 PolarHBondContact N-O 3.19Å; D165-Y318 PolarHBondContact O-N 3.16Å; E253-Y318 PolarHBondContact O-OH 3.08Å; P255-Y318 HydrophobicContact CB-CD1 3.85Å; P255-Y318 HydrophobicContact CB-CE1 3.74Å; P255-Y318 HydrophobicContact CB-CG 4.39Å; P255-Y318 HydrophobicContact CG-CD1 4.41Å; P255-Y318 HydrophobicContact CG-CE1 4.28Å; F262-Y318 HydrophobicContact CD2-CE2 4.31Å; F262-Y318 HydrophobicContact CE2-CE2 4.05Å; Y318-D322 HydrophobicContact CD1-CB 4.3Å; Y318-T323 VanDerWaalsContact O-CG2 3.24Å; Y318-T323 WeakPolarHBondContact O-CG2 3.4Å
319	T	93.1	Very high	85.1	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.148	C	C	.	.			trans	-121.7	155.9	-176.9	42.7	0	0	0	0	111	C42 N44 V150 C164 V316 K321 D322	C42-T319 WeakPolarHBondContact O-CB 3.38Å; C42-T319 PolarHBondContact O-OG1 3.01Å; C42-T319 PolarHBondContact SG-O 3.4Å; N44-T319 HydrophobicContact CB-CG2 4.06Å; V150-T319 HydrophobicContact CG2-CG2 3.86Å; V150-T319 WeakPolarHBondContact CG2-OG1 3.38Å; C164-T319 HydrophobicContact CB-CG2 4.42Å; V316-T319 HydrophobicContact CG1-CG2 3.46Å; V316-T319 VanDerWaalsContact CG1-CG2 3.46Å; T319-K321 PolarHBondContact O-N 3.27Å; T319-K321 VanDerWaalsContact O-N 3.07Å; T319-D322 WeakPolarHBondContact O-CB 3.44Å; T319-D322 PolarHBondContact O-N 3.06Å
320	G	86.4	Confident	83.7	Confident	2 Å²	2	32.3 Å²	32.3	2%	0.021	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	-113.6	165	0	0	0	0	0	113.6	H43 N44 R302 T323 S326	H43-G320 WeakPolarHBondContact O-CA 3.39Å; N44-G320 PolarHBondContact OD1-N 2.98Å; R302-G320 PolarHBondContact NH1-O 2.98Å; R302-G320 VanDerWaalsContact NH1-O 3.15Å; G320-T323 PolarHBondContact O-OG1 3.37Å; G320-S326 VanDerWaalsContact O-CB 3.3Å; G320-S326 WeakPolarHBondContact O-CB 3.27Å; G320-S326 PolarHBondContact O-OG 2.98Å; G320-S326 VanDerWaalsContact O-OG 3.13Å
321	K	84.9	Confident	82	Confident	165 Å²	165	33.3 Å²	33.3	72%	0.717	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-24.4	-179	-68.1	-175.5	178.4	-178.5	0	113.8	T319 T323	T319-K321 PolarHBondContact O-N 3.27Å; T319-K321 VanDerWaalsContact O-N 3.07Å; K321-T323 VanDerWaalsContact C-N 3.3Å
322	D	89.4	Confident	80.2	Confident	33 Å²	33	34.6 Å²	34.6	18%	0.176	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-21.4	-179.2	-61.8	0.1	0	0	0	111.8	R22 C42 P255 Y318 T319	R22-D322 IonicContact CZ-OD2 2.77Å; R22-D322 IonicContact NH1-OD2 3.61Å; R22-D322 PolarHBondContact NH1-OD2 3.18Å; R22-D322 IonicContact NH2-OD2 3.6Å; R22-D322 PolarHBondContact NH2-OD2 3.44Å; C42-D322 PolarHBondContact SG-OD1 2.89Å; P255-D322 HydrophobicContact CB-CB 4.07Å; P255-D322 WeakPolarHBondContact CB-O 3.46Å; P255-D322 HydrophobicContact CG-CB 3.96Å; Y318-D322 HydrophobicContact CD1-CB 4.3Å; T319-D322 WeakPolarHBondContact O-CB 3.44Å; T319-D322 PolarHBondContact O-N 3.06Å
323	T	87.4	Confident	78.3	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-60	139.4	178.1	58.6	0	0	0	0	111.3	C164 D165 R302 Y318 G320 K321 L325 S326 L327	C164-T323 HydrophobicContact CB-CG2 4.36Å; D165-T323 VanDerWaalsContact OD2-CA 3.29Å; D165-T323 WeakPolarHBondContact OD2-CA 3.31Å; R302-T323 HydrophobicContact CB-CG2 4.15Å; R302-T323 PolarHBondContact NH1-OG1 3.33Å; Y318-T323 VanDerWaalsContact O-CG2 3.24Å; Y318-T323 WeakPolarHBondContact O-CG2 3.4Å; G320-T323 PolarHBondContact O-OG1 3.37Å; K321-T323 VanDerWaalsContact C-N 3.3Å; T323-L325 PolarHBondContact O-N 3.1Å; T323-L325 VanDerWaalsContact O-N 3.12Å; T323-S326 PolarHBondContact O-N 2.96Å; T323-L327 PolarHBondContact O-N 3.2Å; T323-L327 VanDerWaalsContact O-N 3.13Å
324	K	83.2	Confident	76.7	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-57.9	-34.2	-174.3	-57.8	-162	-177.4	-172.8	0	113.5	D165 N256 N258 L259 S261 L301 L327 N328	D165-K324 PolarHBondContact OD2-N 3.24Å; N256-K324 WeakPolarHBondContact OD1-CE 3.45Å; N256-K324 PolarHBondContact OD1-NZ 3.14Å; N258-K324 PolarHBondContact O-NZ 2.98Å; L259-K324 HydrophobicContact CD2-CB 3.93Å; L259-K324 PolarHBondContact O-NZ 3.46Å; L259-K324 VanDerWaalsContact O-NZ 3.13Å; S261-K324 PolarHBondContact O-NZ 3.17Å; L301-K324 HydrophobicContact CD1-CD 4.3Å; L301-K324 HydrophobicContact CD2-CB 4.38Å; L301-K324 HydrophobicContact CD2-CD 3.72Å; L301-K324 HydrophobicContact CD2-CG 3.97Å; K324-L327 PolarHBondContact O-N 3.17Å; K324-N328 PolarHBondContact O-N 2.89Å; K324-N328 PolarHBondContact O-ND2 3.12Å
325	L	79.8	Confident	75.2	Confident	44 Å²	44	52.8 Å²	52.8	23%	0.23	27%	0.265	C	S	.	.	H	α-helix	trans	-61.8	-41.9	174.4	179	55.5	0	0	0	112.3	L185 R302 T323 S329	L185-L325 HydrophobicContact CD2-CB 3.75Å; L185-L325 HydrophobicContact CD2-CD1 3.88Å; L185-L325 HydrophobicContact CD2-CD2 4.08Å; L185-L325 HydrophobicContact CD2-CG 4.09Å; R302-L325 WeakPolarHBondContact O-CD2 3.45Å; T323-L325 PolarHBondContact O-N 3.1Å; T323-L325 VanDerWaalsContact O-N 3.12Å; L325-S329 WeakPolarHBondContact O-CB 3.46Å; L325-S329 PolarHBondContact O-N 2.85Å; L325-S329 PolarHBondContact O-OG 3.13Å
326	S	79.3	Confident	73.9	Confident	26 Å²	26	54.6 Å²	54.6	18%	0.182	27%	0.272	C	S	.	.	H	α-helix	trans	-70.9	-37	178.8	-84.3	0	0	0	0	112.8	R302 G320 T323 S329 S330	R302-S326 PolarHBondContact NH1-OG 2.87Å; G320-S326 VanDerWaalsContact O-CB 3.3Å; G320-S326 WeakPolarHBondContact O-CB 3.27Å; G320-S326 PolarHBondContact O-OG 2.98Å; G320-S326 VanDerWaalsContact O-OG 3.13Å; T323-S326 PolarHBondContact O-N 2.96Å; S326-S329 PolarHBondContact O-N 3.07Å; S326-S330 VanDerWaalsContact O-CB 3.27Å; S326-S330 WeakPolarHBondContact O-CB 3.39Å; S326-S330 PolarHBondContact O-N 2.83Å; S326-S330 PolarHBondContact O-OG 2.85Å
327	L	74.3	Confident	72.6	Confident	35 Å²	35	62 Å²	62	18%	0.183	30%	0.302	C	S	.	.	H	α-helix	trans	-59.1	-50.4	174	-68.1	178.2	0	0	0	111.2	P255 E257 T323 K324 S329 S330	P255-L327 HydrophobicContact CB-CD1 4.14Å; E257-L327 HydrophobicContact CG-CB 3.84Å; T323-L327 PolarHBondContact O-N 3.2Å; T323-L327 VanDerWaalsContact O-N 3.13Å; K324-L327 PolarHBondContact O-N 3.17Å; L327-S329 VanDerWaalsContact C-N 3.34Å; L327-S329 PolarHBondContact O-N 3.46Å; L327-S330 PolarHBondContact O-N 2.61Å; L327-S330 PolarHBondContact O-OG 3.11Å
328	N	66.7	Low	71.7	Confident	67 Å²	67	62.1 Å²	62.1	36%	0.358	30%	0.303	S	S	.	.	H	α-helix	trans	-63.3	-36.4	177.7	-76.5	-69	0	0	0	113.4	E257 K324	E257-N328 PolarHBondContact O-ND2 3.27Å; E257-N328 PolarHBondContact O-OD1 3.03Å; K324-N328 PolarHBondContact O-N 2.89Å; K324-N328 PolarHBondContact O-ND2 3.12Å
329	S	61.7	Low	70.9	Confident	63 Å²	63	63.4 Å²	63.4	44%	0.441	31%	0.31	S	S	.	.	H	α-helix	trans	-67.7	-42.8	176.2	-58.6	0	0	0	0	112.2	L325 S326 L327 K331 L333	L325-S329 WeakPolarHBondContact O-CB 3.46Å; L325-S329 PolarHBondContact O-N 2.85Å; L325-S329 PolarHBondContact O-OG 3.13Å; S326-S329 PolarHBondContact O-N 3.07Å; L327-S329 VanDerWaalsContact C-N 3.34Å; L327-S329 PolarHBondContact O-N 3.46Å; S329-K331 PolarHBondContact O-N 3.07Å; S329-L333 VanDerWaalsContact O-CD1 3.24Å; S329-L333 WeakPolarHBondContact O-CD1 3.16Å
330	S	52	Low	70.4	Confident	80 Å²	80	63.8 Å²	63.8	56%	0.559	31%	0.312	S	S	*	.	H	α-helix	trans	-66.8	-29.7	-163.8	68.5	0	0	0	0	115.8	S326 L327 N332	S326-S330 VanDerWaalsContact O-CB 3.27Å; S326-S330 WeakPolarHBondContact O-CB 3.39Å; S326-S330 PolarHBondContact O-N 2.83Å; S326-S330 PolarHBondContact O-OG 2.85Å; L327-S330 PolarHBondContact O-N 2.61Å; L327-S330 PolarHBondContact O-OG 3.11Å; S330-N332 PolarHBondContact O-N 2.93Å
331	K	48	Very low	70.1	Confident	122 Å²	122	65.3 Å²	65.3	53%	0.53	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-18.5	-173.1	-82.4	-179.6	172.3	174.8	0	114.8	E257 S329	E257-K331 WeakPolarHBondContact OE1-CE 3.42Å; E257-K331 IonicContact OE1-NZ 3.69Å; E257-K331 PolarHBondContact OE1-NZ 3.28Å; E257-K331 IonicContact OE2-NZ 3.35Å; E257-K331 PolarHBondContact OE2-NZ 3.04Å; S329-K331 PolarHBondContact O-N 3.07Å
332	N	49.3	Very low	69.9	Low	83 Å²	83	62.2 Å²	62.2	44%	0.444	31%	0.309	S	S	.	.			trans	-115.2	1.4	-161.2	-67.8	-31.2	0	0	0	116.6	S330 K334 L1059	S330-N332 PolarHBondContact O-N 2.93Å; N332-K334 PolarHBondContact O-N 3.28Å; N332-L1059 HydrophobicContact CB-CD1 3.82Å
333	L	52	Low	69.6	Low	100 Å²	100	61.6 Å²	61.6	52%	0.524	31%	0.306	S	S	.	.			trans	-75.7	50.3	175.1	-68.8	99.8	0	0	0	113.8	S329	S329-L333 VanDerWaalsContact O-CD1 3.24Å; S329-L333 WeakPolarHBondContact O-CD1 3.16Å
334	K	56.4	Low	69.5	Low	179 Å²	179	62.1 Å²	62.1	78%	0.778	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-88.3	124.6	168	-71.4	-173.1	177.9	-177.4	0	109.3	N332 K336	N332-K334 PolarHBondContact O-N 3.28Å; K334-K336 PolarHBondContact O-N 2.88Å
335	R	61.7	Low	69.5	Low	109 Å²	109	64.2 Å²	64.2	41%	0.411	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-53.5	122.6	172.4	-172.9	166	175.6	171.6	-15.4	109.1	Y337 Q445	R335-Y337 WeakPolarHBondContact O-CD2 3.3Å; R335-Q445 VanDerWaalsContact NE-OE1 3.08Å; R335-Q445 VanDerWaalsContact NH2-OE1 3.16Å
336	K	66.5	Low	69.8	Low	38 Å²	38	66.2 Å²	66.2	17%	0.165	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-76.3	137.3	173.7	-62.9	-171.7	-175.9	-173.9	0	108.2	K334 L446 I1058 A1061 N1062 D1080	K334-K336 PolarHBondContact O-N 2.88Å; K336-L446 HydrophobicContact CB-CD1 4.31Å; K336-L446 HydrophobicContact CB-CD2 4.45Å; K336-L446 HydrophobicContact CD-CD1 4.19Å; K336-I1058 PolarHBondContact NZ-O 2.67Å; K336-I1058 VanDerWaalsContact NZ-O 3.14Å; K336-A1061 WeakPolarHBondContact CE-O 3.38Å; K336-A1061 PolarHBondContact NZ-O 2.65Å; K336-N1062 WeakPolarHBondContact CD-O 3.29Å; K336-D1080 IonicContact NZ-OD1 2.72Å; K336-D1080 IonicContact NZ-OD2 2.71Å; K336-D1080 PolarHBondContact NZ-OD2 3.17Å
337	Y	67.6	Low	70.2	Confident	156 Å²	156	65.5 Å²	65.5	61%	0.612	33%	0.325	S	S	*	.			trans	-112.2	142.2	175.9	-66.4	-84.1	0	0	0	109.4	R335 E341	R335-Y337 WeakPolarHBondContact O-CD2 3.3Å; Y337-E341 WeakPolarHBondContact CA-OE2 3.24Å
338	S	72.7	Confident	70.7	Confident	3 Å²	3	64 Å²	64	2%	0.021	32%	0.317	C	S	.	.			trans	-72.5	146.5	177.8	159.8	0	0	0	0	110.9	R340 E341 N342 D448 E449	S338-R340 PolarHBondContact O-N 2.97Å; S338-R340 VanDerWaalsContact OG-CB 3.31Å; S338-R340 WeakPolarHBondContact OG-CB 3.42Å; S338-R340 PolarHBondContact OG-N 3.49Å; S338-R340 VanDerWaalsContact OG-N 3.08Å; S338-E341 PolarHBondContact N-OE2 3.36Å; S338-E341 WeakPolarHBondContact O-CB 3.17Å; S338-E341 PolarHBondContact O-N 3.48Å; S338-E341 VanDerWaalsContact O-N 3.13Å; S338-N342 PolarHBondContact O-N 3.38Å; S338-D448 PolarHBondContact OG-OD2 2.81Å; S338-E449 WeakPolarHBondContact OG-CG 3.18Å; S338-E449 PolarHBondContact OG-OE1 2.93Å
339	T	77	Confident	71.7	Confident	26 Å²	26	65.1 Å²	65.1	16%	0.16	32%	0.323	C	S	.	.	H	α-helix	trans	-64.8	-27	173.2	67.1	0	0	0	0	111.9	L343 E449 V1044 Q1182	T339-L343 PolarHBondContact O-N 3.18Å; T339-E449 WeakPolarHBondContact CA-OE1 3.35Å; T339-E449 VanDerWaalsContact CB-OE1 3.31Å; T339-E449 WeakPolarHBondContact CB-OE1 3.25Å; T339-E449 VanDerWaalsContact N-CD 3.3Å; T339-E449 PolarHBondContact N-OE1 3.42Å; T339-E449 PolarHBondContact OG1-OE1 3Å; T339-V1044 HydrophobicContact CG2-CG2 3.87Å; T339-Q1182 PolarHBondContact OG1-NE2 2.82Å
340	R	82.7	Confident	73.1	Confident	8 Å²	8	67.2 Å²	67.2	3%	0.03	33%	0.328	C	S	.	.	H	α-helix	trans	-64.1	-40.8	170.9	179.3	-162.7	55.8	75	2	111.5	S338 N342 L343 S344 D448 M1108 L1185	S338-R340 PolarHBondContact O-N 2.97Å; S338-R340 VanDerWaalsContact OG-CB 3.31Å; S338-R340 WeakPolarHBondContact OG-CB 3.42Å; S338-R340 PolarHBondContact OG-N 3.49Å; S338-R340 VanDerWaalsContact OG-N 3.08Å; R340-N342 PolarHBondContact O-N 2.64Å; R340-L343 CarbonylContact O-C 3.55Å; R340-L343 PolarHBondContact O-N 3.16Å; R340-S344 WeakPolarHBondContact O-CB 3.28Å; R340-S344 PolarHBondContact O-N 3.29Å; R340-D448 WeakPolarHBondContact CB-OD2 3.41Å; R340-D448 WeakPolarHBondContact CD-OD2 3.24Å; R340-D448 IonicContact CZ-OD2 3.57Å; R340-D448 VanDerWaalsContact NE-CG 3.34Å; R340-D448 IonicContact NE-OD1 2.71Å; R340-D448 IonicContact NE-OD2 3.35Å; R340-D448 PolarHBondContact NE-OD2 2.97Å; R340-D448 IonicContact NH2-OD1 2.86Å; R340-D448 IonicContact NH2-OD2 3.26Å; R340-M1108 HydrophobicContact CG-SD 4.11Å; R340-L1185 HydrophobicContact CG-CD1 4.04Å
341	E	80.6	Confident	74.9	Confident	35 Å²	35	64.3 Å²	64.3	16%	0.164	31%	0.305	C	S	.	.	H	α-helix	trans	-63.5	-43.7	-178.5	-68	171.7	154.1	0	0	111.6	Y337 S338 L343 S344 N345	Y337-E341 WeakPolarHBondContact CA-OE2 3.24Å; S338-E341 PolarHBondContact N-OE2 3.36Å; S338-E341 WeakPolarHBondContact O-CB 3.17Å; S338-E341 PolarHBondContact O-N 3.48Å; S338-E341 VanDerWaalsContact O-N 3.13Å; E341-L343 VanDerWaalsContact C-N 3.32Å; E341-L343 PolarHBondContact O-N 2.97Å; E341-S344 VanDerWaalsContact O-CB 3.32Å; E341-S344 WeakPolarHBondContact O-CB 3.16Å; E341-S344 PolarHBondContact O-N 3.44Å; E341-S344 VanDerWaalsContact O-N 3.11Å; E341-N345 PolarHBondContact O-N 2.85Å
342	N	79.8	Confident	76.9	Confident	99 Å²	99	59.5 Å²	59.5	53%	0.529	29%	0.285	S	S	.	.	H	α-helix	trans	-60.4	-41.8	175.1	-176	44.2	0	0	0	111.8	S338 R340 N345 I346	S338-N342 PolarHBondContact O-N 3.38Å; R340-N342 PolarHBondContact O-N 2.64Å; N342-N345 PolarHBondContact O-N 3.35Å; N342-I346 WeakPolarHBondContact O-CG1 3.21Å; N342-I346 PolarHBondContact O-N 2.85Å; N342-I346 VanDerWaalsContact O-N 3.15Å
343	L	83.5	Confident	78.9	Confident	21 Å²	21	59.6 Å²	59.6	11%	0.11	29%	0.288	C	S	.	.	H	α-helix	trans	-69.1	-35.2	173.4	166.5	139.4	0	0	0	112.3	T339 R340 E341 N345 I346 I347 M1041 L1185	T339-L343 PolarHBondContact O-N 3.18Å; R340-L343 CarbonylContact O-C 3.55Å; R340-L343 PolarHBondContact O-N 3.16Å; E341-L343 VanDerWaalsContact C-N 3.32Å; E341-L343 PolarHBondContact O-N 2.97Å; L343-N345 VanDerWaalsContact C-N 3.3Å; L343-N345 PolarHBondContact O-N 2.99Å; L343-I346 WeakPolarHBondContact O-CB 3.03Å; L343-I346 PolarHBondContact O-N 3.09Å; L343-I346 VanDerWaalsContact O-N 3.16Å; L343-I347 HydrophobicContact CD2-CD1 3.48Å; L343-I347 VanDerWaalsContact CD2-CD1 3.48Å; L343-I347 HydrophobicContact CD2-CG1 4.45Å; L343-I347 HydrophobicContact CG-CD1 3.94Å; L343-I347 HydrophobicContact CG-CG1 4.44Å; L343-I347 WeakPolarHBondContact O-CG1 3.29Å; L343-I347 PolarHBondContact O-N 2.98Å; L343-M1041 HydrophobicContact CD1-CE 3.37Å; L343-L1185 HydrophobicContact CD1-CB 4.46Å; L343-L1185 HydrophobicContact CD2-CB 3.79Å; L343-L1185 HydrophobicContact CD2-CD1 3.55Å; L343-L1185 HydrophobicContact CD2-CG 4.19Å
344	S	83.9	Confident	80.7	Confident	10 Å²	10	56.3 Å²	56.3	7%	0.07	28%	0.275	C	S	.	.	H	α-helix	trans	-59.5	-43.6	173.6	-163.8	0	0	0	0	110.8	R340 E341 I346 I347 L348 M1108	R340-S344 WeakPolarHBondContact O-CB 3.28Å; R340-S344 PolarHBondContact O-N 3.29Å; E341-S344 VanDerWaalsContact O-CB 3.32Å; E341-S344 WeakPolarHBondContact O-CB 3.16Å; E341-S344 PolarHBondContact O-N 3.44Å; E341-S344 VanDerWaalsContact O-N 3.11Å; S344-I346 VanDerWaalsContact C-N 3.32Å; S344-I346 PolarHBondContact O-N 3.15Å; S344-I347 PolarHBondContact O-N 3.48Å; S344-L348 WeakPolarHBondContact O-CB 3.48Å; S344-L348 VanDerWaalsContact O-CG 3.25Å; S344-L348 WeakPolarHBondContact O-CG 3.33Å; S344-L348 PolarHBondContact O-N 2.7Å; S344-M1108 WeakPolarHBondContact OG-CE 3.46Å
345	N	83.6	Confident	82.4	Confident	44 Å²	44	48 Å²	48	24%	0.235	24%	0.239	C	C	.	.	H	α-helix	trans	-64.5	-35.8	176.1	-70	-12.4	0	0	0	112.2	I68 E341 N342 L343 L349	I68-N345 HydrophobicContact CD1-CB 4.29Å; E341-N345 PolarHBondContact O-N 2.85Å; N342-N345 PolarHBondContact O-N 3.35Å; L343-N345 VanDerWaalsContact C-N 3.3Å; L343-N345 PolarHBondContact O-N 2.99Å; N345-L349 WeakPolarHBondContact O-CB 3.31Å; N345-L349 PolarHBondContact O-N 3.12Å
346	I	86.2	Confident	83.8	Confident	86 Å²	86	46.1 Å²	46.1	44%	0.441	24%	0.24	S	C	.	.	H	α-helix	trans	-67.4	-41.8	172.6	-67	165	0	0	0	111.3	N342 L343 S344 L349 I350	N342-I346 WeakPolarHBondContact O-CG1 3.21Å; N342-I346 PolarHBondContact O-N 2.85Å; N342-I346 VanDerWaalsContact O-N 3.15Å; L343-I346 WeakPolarHBondContact O-CB 3.03Å; L343-I346 PolarHBondContact O-N 3.09Å; L343-I346 VanDerWaalsContact O-N 3.16Å; S344-I346 VanDerWaalsContact C-N 3.32Å; S344-I346 PolarHBondContact O-N 3.15Å; I346-L349 PolarHBondContact O-N 2.67Å; I346-I350 HydrophobicContact CG2-CD1 4.23Å; I346-I350 WeakPolarHBondContact O-CG1 3.39Å; I346-I350 PolarHBondContact O-N 3.45Å
347	I	88.2	Confident	85.1	Confident	12 Å²	12	48 Å²	48	6%	0.062	26%	0.255	C	S	.	.	H	α-helix	trans	-65.7	-44.9	176.9	-69.1	164.5	0	0	0	110.8	L343 S344 L349 I350 F351 Y1112 I1190	L343-I347 HydrophobicContact CD2-CD1 3.48Å; L343-I347 VanDerWaalsContact CD2-CD1 3.48Å; L343-I347 HydrophobicContact CD2-CG1 4.45Å; L343-I347 HydrophobicContact CG-CD1 3.94Å; L343-I347 HydrophobicContact CG-CG1 4.44Å; L343-I347 WeakPolarHBondContact O-CG1 3.29Å; L343-I347 PolarHBondContact O-N 2.98Å; S344-I347 PolarHBondContact O-N 3.48Å; I347-L349 VanDerWaalsContact C-N 3.29Å; I347-L349 PolarHBondContact O-N 2.71Å; I347-I350 WeakPolarHBondContact O-CB 3.34Å; I347-I350 PolarHBondContact O-N 2.84Å; I347-F351 HydrophobicContact CG2-CD2 3.67Å; I347-F351 HydrophobicContact CG2-CE2 3.54Å; I347-F351 WeakPolarHBondContact O-CD2 3.29Å; I347-F351 PolarHBondContact O-N 3.37Å; I347-Y1112 HydrophobicContact CG2-CE1 4.04Å; I347-Y1112 HydrophobicContact CG2-CE2 3.83Å; I347-Y1112 WeakPolarHBondContact CG2-OH 3.34Å; I347-I1190 HydrophobicContact CD1-CD1 3.48Å; I347-I1190 VanDerWaalsContact CD1-CD1 3.48Å; I347-I1190 HydrophobicContact CG1-CD1 4.08Å
348	L	85.8	Confident	86.2	Confident	4 Å²	4	43.1 Å²	43.1	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-58.4	-42	174.9	-73	166.7	0	0	0	111.2	A69 S344 I350 F351 M352 I405	A69-L348 HydrophobicContact CB-CD1 4.36Å; S344-L348 WeakPolarHBondContact O-CB 3.48Å; S344-L348 VanDerWaalsContact O-CG 3.25Å; S344-L348 WeakPolarHBondContact O-CG 3.33Å; S344-L348 PolarHBondContact O-N 2.7Å; L348-I350 VanDerWaalsContact C-N 3.34Å; L348-I350 PolarHBondContact O-N 3.05Å; L348-F351 PolarHBondContact O-N 3.24Å; L348-M352 HydrophobicContact CB-CE 4.32Å; L348-M352 VanDerWaalsContact O-CG 3.3Å; L348-M352 WeakPolarHBondContact O-CG 3.35Å; L348-M352 PolarHBondContact O-N 2.94Å; L348-I405 HydrophobicContact CD2-CG2 3.95Å
349	L	87.1	Confident	87.1	Confident	89 Å²	89	43.1 Å²	43.1	47%	0.466	24%	0.238	S	C	.	.	H	α-helix	trans	-61.6	-39.4	173.4	-176	67.4	0	0	0	112.5	N345 I346 I347 M352 V353	N345-L349 WeakPolarHBondContact O-CB 3.31Å; N345-L349 PolarHBondContact O-N 3.12Å; I346-L349 PolarHBondContact O-N 2.67Å; I347-L349 VanDerWaalsContact C-N 3.29Å; I347-L349 PolarHBondContact O-N 2.71Å; L349-M352 PolarHBondContact O-N 3Å; L349-V353 WeakPolarHBondContact O-CG2 3.48Å; L349-V353 PolarHBondContact O-N 2.72Å
350	I	90	Very high	87.9	Confident	108 Å²	108	45.2 Å²	45.2	55%	0.554	25%	0.248	S	C	*	.	H	α-helix	trans	-62.9	-42.6	174.4	-68.1	163.8	0	0	0	110.7	I346 I347 L348 V353 A354	I346-I350 HydrophobicContact CG2-CD1 4.23Å; I346-I350 WeakPolarHBondContact O-CG1 3.39Å; I346-I350 PolarHBondContact O-N 3.45Å; I347-I350 WeakPolarHBondContact O-CB 3.34Å; I347-I350 PolarHBondContact O-N 2.84Å; L348-I350 VanDerWaalsContact C-N 3.34Å; L348-I350 PolarHBondContact O-N 3.05Å; I350-V353 PolarHBondContact O-N 2.71Å; I350-A354 WeakPolarHBondContact O-CB 3.45Å; I350-A354 PolarHBondContact O-N 3.18Å
351	F	90.7	Very high	88.4	Confident	18 Å²	18	49.7 Å²	49.7	8%	0.079	27%	0.272	C	S	.	.	H	α-helix	trans	-66	-37.3	174.7	-79.9	-71.3	0	0	0	112.9	I347 L348 A354 M355 L404 I405 Y1112 V1116 V1194	I347-F351 HydrophobicContact CG2-CD2 3.67Å; I347-F351 HydrophobicContact CG2-CE2 3.54Å; I347-F351 WeakPolarHBondContact O-CD2 3.29Å; I347-F351 PolarHBondContact O-N 3.37Å; L348-F351 PolarHBondContact O-N 3.24Å; F351-A354 PolarHBondContact O-N 3.4Å; F351-M355 WeakPolarHBondContact O-CB 3.45Å; F351-M355 PolarHBondContact O-N 2.91Å; F351-L404 HydrophobicContact CD1-CD1 4.17Å; F351-L404 HydrophobicContact CD1-CD2 4.02Å; F351-L404 HydrophobicContact CD1-CG 3.87Å; F351-L404 HydrophobicContact CE1-CD1 4.39Å; F351-I405 HydrophobicContact CB-CG1 4.26Å; F351-Y1112 HydrophobicContact CD2-CD1 4.17Å; F351-Y1112 HydrophobicContact CD2-CE1 4.21Å; F351-Y1112 AromaticContact CE2-CD1 3.51Å; F351-Y1112 HydrophobicContact CE2-CD1 3.51Å; F351-Y1112 HydrophobicContact CE2-CD2 4.36Å; F351-Y1112 AromaticContact CE2-CE1 3.85Å; F351-Y1112 HydrophobicContact CE2-CE1 3.85Å; F351-Y1112 AromaticContact CE2-CG 3.81Å; F351-Y1112 HydrophobicContact CE2-CG 3.81Å; F351-Y1112 HydrophobicContact CZ-CD1 4.02Å; F351-Y1112 HydrophobicContact CZ-CG 4.05Å; F351-V1116 HydrophobicContact CE1-CG2 3.86Å; F351-V1116 HydrophobicContact CZ-CG2 4.46Å; F351-V1194 HydrophobicContact CE1-CG2 4.39Å; F351-V1194 HydrophobicContact CZ-CG2 4.11Å
352	M	88.7	Confident	89	Confident	22 Å²	22	48.6 Å²	48.6	11%	0.108	27%	0.267	C	S	.	.	H	α-helix	trans	-61.7	-45.8	173.4	-69.7	169.8	-166.3	0	0	111.7	I68 Y72 L348 L349 M355 V356 I405	I68-M352 HydrophobicContact CG2-CE 4.18Å; I68-M352 HydrophobicContact CG2-SD 4.24Å; Y72-M352 HydrophobicContact CD1-CE 4.19Å; Y72-M352 HydrophobicContact CD2-CE 4.07Å; Y72-M352 HydrophobicContact CD2-CG 3.99Å; Y72-M352 HydrophobicContact CD2-SD 4.08Å; Y72-M352 HydrophobicContact CE2-CG 4.36Å; Y72-M352 HydrophobicContact CG-CE 3.6Å; Y72-M352 HydrophobicContact CG-CG 4.4Å; Y72-M352 HydrophobicContact CG-SD 4.19Å; L348-M352 HydrophobicContact CB-CE 4.32Å; L348-M352 VanDerWaalsContact O-CG 3.3Å; L348-M352 WeakPolarHBondContact O-CG 3.35Å; L348-M352 PolarHBondContact O-N 2.94Å; L349-M352 PolarHBondContact O-N 3Å; M352-M355 PolarHBondContact O-N 2.72Å; M352-V356 WeakPolarHBondContact O-CG2 3.45Å; M352-V356 PolarHBondContact O-N 3.32Å; M352-V356 VanDerWaalsContact O-N 3.09Å; M352-I405 HydrophobicContact CB-CD1 4.27Å; M352-I405 HydrophobicContact CE-CD1 4.09Å; M352-I405 HydrophobicContact CG-CD1 3.3Å
353	V	91.4	Very high	89.5	Confident	85 Å²	85	43.9 Å²	43.9	52%	0.515	24%	0.242	S	C	.	.	H	α-helix	trans	-64.3	-45.1	176.3	173.3	0	0	0	0	110.6	L349 I350 M355 V356 T357	L349-V353 WeakPolarHBondContact O-CG2 3.48Å; L349-V353 PolarHBondContact O-N 2.72Å; I350-V353 PolarHBondContact O-N 2.71Å; V353-M355 PolarHBondContact O-N 2.87Å; V353-V356 PolarHBondContact O-N 3.2Å; V353-T357 HydrophobicContact CG1-CG2 4.45Å; V353-T357 WeakPolarHBondContact O-CG2 3.49Å; V353-T357 PolarHBondContact O-N 3.27Å; V353-T357 PolarHBondContact O-OG1 2.95Å
354	A	91.5	Very high	89.9	Confident	30 Å²	30	47 Å²	47	25%	0.248	26%	0.258	C	S	.	.	H	α-helix	trans	-56.6	-49.3	176.1	0	0	0	0	0	111.7	I350 F351 V356 T357 I358	I350-A354 WeakPolarHBondContact O-CB 3.45Å; I350-A354 PolarHBondContact O-N 3.18Å; F351-A354 PolarHBondContact O-N 3.4Å; A354-V356 PolarHBondContact O-N 2.86Å; A354-T357 WeakPolarHBondContact CA-OG1 3.45Å; A354-T357 PolarHBondContact O-N 3.23Å; A354-T357 VanDerWaalsContact O-N 3.15Å; A354-T357 PolarHBondContact O-OG1 3.07Å; A354-I358 WeakPolarHBondContact O-CB 3.34Å; A354-I358 WeakPolarHBondContact O-CD1 3.4Å; A354-I358 WeakPolarHBondContact O-CG1 3.37Å; A354-I358 PolarHBondContact O-N 3.23Å
355	M	91.6	Very high	90.3	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.02	27%	0.273	C	S	.	.	H	α-helix	trans	-54.3	-50.2	175.5	171.6	-178.3	71.6	0	0	112.1	Y72 F351 M352 V353 T357 I358 T359 L398 I401 L404	Y72-M355 HydrophobicContact CE2-CE 3.39Å; Y72-M355 HydrophobicContact CE2-SD 4.49Å; Y72-M355 VanDerWaalsContact OH-CE 3.23Å; Y72-M355 WeakPolarHBondContact OH-CE 3.11Å; Y72-M355 PolarHBondContact OH-SD 3.32Å; F351-M355 WeakPolarHBondContact O-CB 3.45Å; F351-M355 PolarHBondContact O-N 2.91Å; M352-M355 PolarHBondContact O-N 2.72Å; V353-M355 PolarHBondContact O-N 2.87Å; M355-T357 VanDerWaalsContact C-N 3.31Å; M355-T357 PolarHBondContact O-N 3.49Å; M355-I358 PolarHBondContact O-N 2.76Å; M355-T359 HydrophobicContact CG-CG2 4.43Å; M355-T359 WeakPolarHBondContact O-CG2 3.42Å; M355-T359 PolarHBondContact O-N 3.33Å; M355-T359 PolarHBondContact O-OG1 3.29Å; M355-L398 HydrophobicContact CE-CD1 3.65Å; M355-L398 HydrophobicContact CG-CD1 3.82Å; M355-L398 HydrophobicContact SD-CD1 3.69Å; M355-I401 HydrophobicContact CB-CG2 4.27Å; M355-I401 HydrophobicContact CG-CB 4.36Å; M355-I401 HydrophobicContact CG-CG2 3.75Å; M355-L404 HydrophobicContact CB-CD2 3.99Å
356	V	90.6	Very high	90.5	Very high	70 Å²	70	47.9 Å²	47.9	42%	0.424	26%	0.262	S	S	.	.	H	α-helix	trans	-63.3	-35.9	179	174.7	0	0	0	0	111.8	M352 V353 A354 T359 L360	M352-V356 WeakPolarHBondContact O-CG2 3.45Å; M352-V356 PolarHBondContact O-N 3.32Å; M352-V356 VanDerWaalsContact O-N 3.09Å; V353-V356 PolarHBondContact O-N 3.2Å; A354-V356 PolarHBondContact O-N 2.86Å; V356-T359 WeakPolarHBondContact CA-OG1 3.39Å; V356-T359 PolarHBondContact O-OG1 2.9Å; V356-L360 HydrophobicContact CG1-CD1 4.13Å; V356-L360 WeakPolarHBondContact O-CB 3.5Å; V356-L360 WeakPolarHBondContact O-CD1 3.5Å; V356-L360 VanDerWaalsContact O-CG 3.24Å; V356-L360 WeakPolarHBondContact O-CG 3.47Å; V356-L360 PolarHBondContact O-N 3.01Å
357	T	93.1	Very high	90.6	Very high	79 Å²	79	45.2 Å²	45.2	49%	0.485	25%	0.249	S	C	.	.	H	α-helix	trans	-70.8	-36	175	56.5	0	0	0	0	113.1	V353 A354 M355 L361	V353-T357 HydrophobicContact CG1-CG2 4.45Å; V353-T357 WeakPolarHBondContact O-CG2 3.49Å; V353-T357 PolarHBondContact O-N 3.27Å; V353-T357 PolarHBondContact O-OG1 2.95Å; A354-T357 WeakPolarHBondContact CA-OG1 3.45Å; A354-T357 PolarHBondContact O-N 3.23Å; A354-T357 VanDerWaalsContact O-N 3.15Å; A354-T357 PolarHBondContact O-OG1 3.07Å; M355-T357 VanDerWaalsContact C-N 3.31Å; M355-T357 PolarHBondContact O-N 3.49Å; T357-L361 WeakPolarHBondContact O-CB 3.36Å; T357-L361 PolarHBondContact O-N 2.92Å
358	I	92.3	Very high	90.6	Very high	52 Å²	52	48.6 Å²	48.6	27%	0.267	27%	0.267	S	S	.	.	H	α-helix	trans	-72.1	-42.7	179.7	-67.1	163.9	0	0	0	110.1	A354 M355 L361 I362 I401 L1123	A354-I358 WeakPolarHBondContact O-CB 3.34Å; A354-I358 WeakPolarHBondContact O-CD1 3.4Å; A354-I358 WeakPolarHBondContact O-CG1 3.37Å; A354-I358 PolarHBondContact O-N 3.23Å; M355-I358 PolarHBondContact O-N 2.76Å; I358-L361 PolarHBondContact O-N 2.95Å; I358-I362 HydrophobicContact CG2-CD1 3.57Å; I358-I362 HydrophobicContact CG2-CG1 4.45Å; I358-I362 WeakPolarHBondContact O-CD1 3.47Å; I358-I362 VanDerWaalsContact O-CG1 3.28Å; I358-I362 WeakPolarHBondContact O-CG1 3.34Å; I358-I362 PolarHBondContact O-N 2.63Å; I358-I401 HydrophobicContact CG2-CD1 4Å; I358-L1123 HydrophobicContact CG2-CD1 4.13Å; I358-L1123 HydrophobicContact CG2-CD2 4.42Å
359	T	91.8	Very high	90.8	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.018	28%	0.281	C	S	.	.	H	α-helix	trans	-60.4	-48.3	175.3	54.4	0	0	0	0	111.2	M355 V356 L361 I362 T363 F397 L398 I401	M355-T359 HydrophobicContact CG-CG2 4.43Å; M355-T359 WeakPolarHBondContact O-CG2 3.42Å; M355-T359 PolarHBondContact O-N 3.33Å; M355-T359 PolarHBondContact O-OG1 3.29Å; V356-T359 WeakPolarHBondContact CA-OG1 3.39Å; V356-T359 PolarHBondContact O-OG1 2.9Å; T359-L361 VanDerWaalsContact C-N 3.33Å; T359-L361 PolarHBondContact O-N 2.92Å; T359-I362 PolarHBondContact O-N 3.41Å; T359-T363 WeakPolarHBondContact O-CG2 3.3Å; T359-T363 PolarHBondContact O-N 2.96Å; T359-F397 HydrophobicContact CG2-CB 4.48Å; T359-L398 HydrophobicContact CG2-CB 4.18Å; T359-L398 HydrophobicContact CG2-CD1 4.01Å; T359-I401 HydrophobicContact CG2-CB 4.17Å; T359-I401 HydrophobicContact CG2-CD1 3.66Å; T359-I401 HydrophobicContact CG2-CG1 4.44Å
360	L	92.5	Very high	90.6	Very high	71 Å²	71	49.9 Å²	49.9	37%	0.372	27%	0.268	S	S	.	.	H	α-helix	trans	-59.3	-40.9	175.5	-72.4	171.6	0	0	0	112.6	V356 T363 I364 I394	V356-L360 HydrophobicContact CG1-CD1 4.13Å; V356-L360 WeakPolarHBondContact O-CB 3.5Å; V356-L360 WeakPolarHBondContact O-CD1 3.5Å; V356-L360 VanDerWaalsContact O-CG 3.24Å; V356-L360 WeakPolarHBondContact O-CG 3.47Å; V356-L360 PolarHBondContact O-N 3.01Å; L360-T363 PolarHBondContact O-N 2.96Å; L360-T363 PolarHBondContact O-OG1 2.97Å; L360-I364 WeakPolarHBondContact O-CD1 3.42Å; L360-I364 VanDerWaalsContact O-CG1 3.26Å; L360-I364 WeakPolarHBondContact O-CG1 3.36Å; L360-I364 PolarHBondContact O-N 3.1Å; L360-I364 VanDerWaalsContact O-N 3.15Å; L360-I394 HydrophobicContact CD2-CD1 3.92Å; L360-I394 HydrophobicContact CD2-CG1 4.31Å
361	L	93.8	Very high	90.4	Very high	101 Å²	101	52.4 Å²	52.4	53%	0.529	28%	0.275	S	S	.	.	H	α-helix	trans	-64.8	-42.3	177.6	-178.5	145.3	0	0	0	111.6	T357 I358 T359 I364 L365	T357-L361 WeakPolarHBondContact O-CB 3.36Å; T357-L361 PolarHBondContact O-N 2.92Å; I358-L361 PolarHBondContact O-N 2.95Å; T359-L361 VanDerWaalsContact C-N 3.33Å; T359-L361 PolarHBondContact O-N 2.92Å; L361-I364 PolarHBondContact O-N 3Å; L361-L365 HydrophobicContact CD2-CD1 3.64Å; L361-L365 HydrophobicContact CD2-CG 4.36Å; L361-L365 WeakPolarHBondContact O-CG 3.17Å; L361-L365 PolarHBondContact O-N 3.26Å
362	I	91.9	Very high	90.1	Very high	12 Å²	12	56.9 Å²	56.9	6%	0.062	30%	0.299	C	S	.	.	H	α-helix	trans	-69.3	-36.3	178.8	-67.4	160	0	0	0	111.4	I358 T359 I364 L365 S366 F397 I401 L1123 I1126 Y1131	I358-I362 HydrophobicContact CG2-CD1 3.57Å; I358-I362 HydrophobicContact CG2-CG1 4.45Å; I358-I362 WeakPolarHBondContact O-CD1 3.47Å; I358-I362 VanDerWaalsContact O-CG1 3.28Å; I358-I362 WeakPolarHBondContact O-CG1 3.34Å; I358-I362 PolarHBondContact O-N 2.63Å; T359-I362 PolarHBondContact O-N 3.41Å; I362-I364 VanDerWaalsContact C-N 3.32Å; I362-I364 PolarHBondContact O-N 3.02Å; I362-L365 PolarHBondContact O-N 2.84Å; I362-S366 VanDerWaalsContact O-CB 3.31Å; I362-S366 WeakPolarHBondContact O-CB 3.38Å; I362-S366 PolarHBondContact O-N 2.77Å; I362-F397 HydrophobicContact CG2-CD1 3.78Å; I362-F397 HydrophobicContact CG2-CD2 4.1Å; I362-F397 HydrophobicContact CG2-CE1 3.67Å; I362-F397 HydrophobicContact CG2-CE2 3.96Å; I362-F397 HydrophobicContact CG2-CG 4.01Å; I362-F397 HydrophobicContact CG2-CZ 3.76Å; I362-I401 HydrophobicContact CD1-CD1 3.6Å; I362-L1123 HydrophobicContact CD1-CD2 3.32Å; I362-I1126 HydrophobicContact CG2-CG2 4.12Å; I362-Y1131 HydrophobicContact CG2-CD1 4.12Å; I362-Y1131 HydrophobicContact CG2-CE1 4.43Å
363	T	91.1	Very high	89.9	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-67.1	-36.3	176.7	70.1	0	0	0	0	111.5	T359 L360 T367 T393 I394 F397	T359-T363 WeakPolarHBondContact O-CG2 3.3Å; T359-T363 PolarHBondContact O-N 2.96Å; L360-T363 PolarHBondContact O-N 2.96Å; L360-T363 PolarHBondContact O-OG1 2.97Å; T363-T367 WeakPolarHBondContact O-CB 3.36Å; T363-T367 WeakPolarHBondContact O-CG2 3.43Å; T363-T367 PolarHBondContact O-N 3.02Å; T363-T367 PolarHBondContact O-OG1 3.32Å; T363-T393 HydrophobicContact CG2-CG2 4.12Å; T363-I394 HydrophobicContact CG2-CB 4.13Å; T363-I394 HydrophobicContact CG2-CG1 3.51Å; T363-F397 HydrophobicContact CG2-CD2 3.67Å; T363-F397 HydrophobicContact CG2-CE2 4.38Å
364	I	91.6	Very high	89.3	Confident	88 Å²	88	56.2 Å²	56.2	45%	0.451	30%	0.296	S	S	.	.	H	α-helix	trans	-64.1	-45.3	171.9	-67.1	164.5	0	0	0	110.6	L360 L361 I362 T367 I368	L360-I364 WeakPolarHBondContact O-CD1 3.42Å; L360-I364 VanDerWaalsContact O-CG1 3.26Å; L360-I364 WeakPolarHBondContact O-CG1 3.36Å; L360-I364 PolarHBondContact O-N 3.1Å; L360-I364 VanDerWaalsContact O-N 3.15Å; L361-I364 PolarHBondContact O-N 3Å; I362-I364 VanDerWaalsContact C-N 3.32Å; I362-I364 PolarHBondContact O-N 3.02Å; I364-T367 PolarHBondContact O-OG1 3.15Å; I364-I368 HydrophobicContact CG2-CD1 3.82Å; I364-I368 WeakPolarHBondContact O-CD1 3.36Å; I364-I368 WeakPolarHBondContact O-CG1 3.48Å; I364-I368 PolarHBondContact O-N 2.78Å
365	L	92	Very high	88.5	Confident	70 Å²	70	64.4 Å²	64.4	37%	0.366	33%	0.326	S	S	.	.	H	α-helix	trans	-64.9	-42.7	177.2	-69.6	176.4	0	0	0	112.8	L361 I362 I368 W369 Y1131	L361-L365 HydrophobicContact CD2-CD1 3.64Å; L361-L365 HydrophobicContact CD2-CG 4.36Å; L361-L365 WeakPolarHBondContact O-CG 3.17Å; L361-L365 PolarHBondContact O-N 3.26Å; I362-L365 PolarHBondContact O-N 2.84Å; L365-I368 PolarHBondContact O-N 2.93Å; L365-W369 WeakPolarHBondContact O-CB 3.41Å; L365-W369 PolarHBondContact O-N 2.8Å; L365-Y1131 HydrophobicContact CB-CE1 3.79Å
366	S	89.2	Confident	87.9	Confident	2 Å²	2	71.6 Å²	71.6	1%	0.014	36%	0.357	C	S	.	.	H	α-helix	trans	-60.2	-49.6	175.8	175.7	0	0	0	0	111.4	I362 I368 W369 I370	I362-S366 VanDerWaalsContact O-CB 3.31Å; I362-S366 WeakPolarHBondContact O-CB 3.38Å; I362-S366 PolarHBondContact O-N 2.77Å; S366-I368 VanDerWaalsContact C-N 3.33Å; S366-I368 PolarHBondContact O-N 2.86Å; S366-W369 PolarHBondContact O-N 3.29Å; S366-W369 VanDerWaalsContact O-N 3.1Å; S366-I370 VanDerWaalsContact O-CG1 3.31Å; S366-I370 WeakPolarHBondContact O-CG1 3.2Å; S366-I370 PolarHBondContact O-N 2.66Å
367	T	87.2	Confident	87.4	Confident	29 Å²	29	69.1 Å²	69.1	18%	0.178	34%	0.341	C	S	.	.	H	α-helix	trans	-63.6	-35.1	178.2	50	0	0	0	0	113.4	T363 I364 K371 L385 F390	T363-T367 WeakPolarHBondContact O-CB 3.36Å; T363-T367 WeakPolarHBondContact O-CG2 3.43Å; T363-T367 PolarHBondContact O-N 3.02Å; T363-T367 PolarHBondContact O-OG1 3.32Å; I364-T367 PolarHBondContact O-OG1 3.15Å; T367-K371 VanDerWaalsContact O-CB 3.3Å; T367-K371 WeakPolarHBondContact O-CB 3.47Å; T367-K371 PolarHBondContact O-N 2.79Å; T367-K371 VanDerWaalsContact O-N 3.09Å; T367-L385 HydrophobicContact CG2-CD1 4.03Å; T367-F390 HydrophobicContact CG2-CD2 3.79Å; T367-F390 HydrophobicContact CG2-CE2 3.98Å
368	I	89	Confident	86.9	Confident	84 Å²	84	74.9 Å²	74.9	43%	0.431	35%	0.354	S	S	.	.	H	α-helix	trans	-66.2	-43.8	171.5	-68.3	165.5	0	0	0	110.9	I364 L365 S366 K371 N372	I364-I368 HydrophobicContact CG2-CD1 3.82Å; I364-I368 WeakPolarHBondContact O-CD1 3.36Å; I364-I368 WeakPolarHBondContact O-CG1 3.48Å; I364-I368 PolarHBondContact O-N 2.78Å; L365-I368 PolarHBondContact O-N 2.93Å; S366-I368 VanDerWaalsContact C-N 3.33Å; S366-I368 PolarHBondContact O-N 2.86Å; I368-K371 PolarHBondContact O-N 2.66Å; I368-N372 WeakPolarHBondContact O-CB 3.31Å; I368-N372 VanDerWaalsContact O-CG 3.25Å; I368-N372 PolarHBondContact O-N 2.6Å; I368-N372 PolarHBondContact O-ND2 3.5Å
369	W	88.9	Confident	86.4	Confident	81 Å²	81	79.9 Å²	79.9	31%	0.307	37%	0.371	S	S	.	.	H	α-helix	trans	-65	-46	-180	-175.2	97.6	0	0	0	112.1	L365 S366 N372 N373 I377 G1130 Y1131	L365-W369 WeakPolarHBondContact O-CB 3.41Å; L365-W369 PolarHBondContact O-N 2.8Å; S366-W369 PolarHBondContact O-N 3.29Å; S366-W369 VanDerWaalsContact O-N 3.1Å; W369-N372 PolarHBondContact O-N 2.81Å; W369-N373 PolarHBondContact NE1-ND2 3.19Å; W369-N373 WeakPolarHBondContact O-CB 3.41Å; W369-N373 PolarHBondContact O-N 3.48Å; W369-N373 PolarHBondContact O-ND2 3.12Å; W369-N373 VanDerWaalsContact O-ND2 3.13Å; W369-I377 HydrophobicContact CH2-CD1 3.4Å; W369-I377 HydrophobicContact CZ2-CD1 4.24Å; W369-I377 HydrophobicContact CZ3-CD1 3.79Å; W369-G1130 WeakPolarHBondContact CH2-O 3.38Å; W369-G1130 VanDerWaalsContact CZ2-CA 3.41Å; W369-G1130 WeakPolarHBondContact CZ3-O 3.34Å; W369-Y1131 HydrophobicContact CB-CD2 3.68Å; W369-Y1131 HydrophobicContact CB-CE2 3.82Å; W369-Y1131 AromaticContact CD1-CD2 3.99Å; W369-Y1131 AromaticContact CD1-CE2 3.85Å; W369-Y1131 HydrophobicContact CD2-CD2 4.12Å; W369-Y1131 AromaticContact CG-CD2 3.66Å; W369-Y1131 HydrophobicContact CG-CD2 3.66Å; W369-Y1131 AromaticContact CG-CE2 3.87Å; W369-Y1131 HydrophobicContact CG-CE2 3.87Å
370	I	84.1	Confident	85.7	Confident	39 Å²	39	83.7 Å²	83.7	20%	0.2	39%	0.39	C	S	.	.	H	α-helix	trans	-57.1	-54.3	174.8	-67.8	166.3	0	0	0	108.9	S366 N372 N373 T374 F382	S366-I370 VanDerWaalsContact O-CG1 3.31Å; S366-I370 WeakPolarHBondContact O-CG1 3.2Å; S366-I370 PolarHBondContact O-N 2.66Å; I370-N372 PolarHBondContact O-N 3.5Å; I370-N373 PolarHBondContact O-N 2.94Å; I370-N373 VanDerWaalsContact O-N 3.07Å; I370-T374 HydrophobicContact CG2-CG2 4.14Å; I370-T374 WeakPolarHBondContact O-CG2 3.41Å; I370-T374 PolarHBondContact O-N 2.91Å; I370-F382 HydrophobicContact CG1-CD1 4.48Å; I370-F382 HydrophobicContact CG1-CE1 4.13Å; I370-F382 HydrophobicContact CG2-CD1 3.75Å; I370-F382 HydrophobicContact CG2-CE1 3.97Å; I370-F382 HydrophobicContact CG2-CG 4.26Å
371	K	84.3	Confident	84.7	Confident	161 Å²	161	86 Å²	86	70%	0.7	40%	0.403	S	S	*	.	H	α-helix	trans	-52.4	-42.8	179.5	-177	178.7	179.5	-179.9	0	112.5	T367 I368 T374	T367-K371 VanDerWaalsContact O-CB 3.3Å; T367-K371 WeakPolarHBondContact O-CB 3.47Å; T367-K371 PolarHBondContact O-N 2.79Å; T367-K371 VanDerWaalsContact O-N 3.09Å; I368-K371 PolarHBondContact O-N 2.66Å; K371-T374 PolarHBondContact O-OG1 2.71Å; K371-T374 VanDerWaalsContact O-OG1 3.12Å
372	N	86	Confident	83.6	Confident	111 Å²	111	84.9 Å²	84.9	59%	0.594	39%	0.394	S	S	*	.	H	α-helix	trans	-74.6	-30.5	-178.7	-71	-12.2	0	0	0	113.7	I368 W369 I370	I368-N372 WeakPolarHBondContact O-CB 3.31Å; I368-N372 VanDerWaalsContact O-CG 3.25Å; I368-N372 PolarHBondContact O-N 2.6Å; I368-N372 PolarHBondContact O-ND2 3.5Å; W369-N372 PolarHBondContact O-N 2.81Å; I370-N372 PolarHBondContact O-N 3.5Å
373	N	84.1	Confident	82.6	Confident	29 Å²	29	89.8 Å²	89.8	16%	0.155	42%	0.417	C	S	.	.	H	α-helix	trans	-105.4	-7.1	-174.1	-66.1	-55.1	0	0	0	115.1	W369 I370 K375 K376 I377	W369-N373 PolarHBondContact NE1-ND2 3.19Å; W369-N373 WeakPolarHBondContact O-CB 3.41Å; W369-N373 PolarHBondContact O-N 3.48Å; W369-N373 PolarHBondContact O-ND2 3.12Å; W369-N373 VanDerWaalsContact O-ND2 3.13Å; I370-N373 PolarHBondContact O-N 2.94Å; I370-N373 VanDerWaalsContact O-N 3.07Å; N373-K375 PolarHBondContact O-N 3.21Å; N373-K376 PolarHBondContact O-N 3.35Å; N373-I377 HydrophobicContact CB-CD1 3.74Å; N373-I377 HydrophobicContact CB-CG1 4.24Å; N373-I377 PolarHBondContact O-N 3.45Å; N373-I377 VanDerWaalsContact O-N 3.16Å
374	T	77.6	Confident	81.5	Confident	65 Å²	65	97.2 Å²	97.2	40%	0.399	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-41.8	-42.9	173.8	45.9	0	0	0	0	113.8	I370 K371 K376	I370-T374 HydrophobicContact CG2-CG2 4.14Å; I370-T374 WeakPolarHBondContact O-CG2 3.41Å; I370-T374 PolarHBondContact O-N 2.91Å; K371-T374 PolarHBondContact O-OG1 2.71Å; K371-T374 VanDerWaalsContact O-OG1 3.12Å; T374-K376 PolarHBondContact O-N 2.93Å
375	K	75.4	Confident	80.7	Confident	202 Å²	202	98.9 Å²	98.9	88%	0.878	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-17.2	-179.8	-65	-170.6	178.1	-173.3	0	115.2	N373	N373-K375 PolarHBondContact O-N 3.21Å
376	K	79.4	Confident	80.3	Confident	155 Å²	155	99 Å²	99	67%	0.674	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-32	-179.4	-67.8	-176.5	178.3	177.9	0	112.3	N373 T374 W378	N373-K376 PolarHBondContact O-N 3.35Å; T374-K376 PolarHBondContact O-N 2.93Å; K376-W378 PolarHBondContact O-N 3.33Å
377	I	80.2	Confident	80.1	Confident	18 Å²	18	105.6 Å²	105.6	9%	0.092	50%	0.502	C	S	.	.			trans	-99	68.5	-171.7	-50.4	171.8	0	0	0	108.5	W369 N373 Y379 I380 F382	W369-I377 HydrophobicContact CH2-CD1 3.4Å; W369-I377 HydrophobicContact CZ2-CD1 4.24Å; W369-I377 HydrophobicContact CZ3-CD1 3.79Å; N373-I377 HydrophobicContact CB-CD1 3.74Å; N373-I377 HydrophobicContact CB-CG1 4.24Å; N373-I377 PolarHBondContact O-N 3.45Å; N373-I377 VanDerWaalsContact O-N 3.16Å; I377-Y379 HydrophobicContact CG2-CD1 4.38Å; I377-Y379 HydrophobicContact CG2-CD2 4.46Å; I377-Y379 HydrophobicContact CG2-CE1 3.96Å; I377-Y379 HydrophobicContact CG2-CE2 4.05Å; I377-Y379 PolarHBondContact O-N 3.34Å; I377-I380 HydrophobicContact CG2-CB 3.76Å; I377-I380 HydrophobicContact CG2-CD1 3.7Å; I377-I380 HydrophobicContact CG2-CG1 3.59Å; I377-I380 PolarHBondContact O-N 3.15Å; I377-F382 HydrophobicContact CB-CE2 4.27Å; I377-F382 HydrophobicContact CD1-CZ 4.28Å; I377-F382 HydrophobicContact CG2-CE2 4.41Å; I377-F382 HydrophobicContact CG2-CZ 4.49Å
378	W	81.6	Confident	80	Confident	200 Å²	200	110.4 Å²	110.4	76%	0.758	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-14.8	-176.5	65.8	-94.5	0	0	0	114	K376	K376-W378 PolarHBondContact O-N 3.33Å
379	Y	83	Confident	79.7	Confident	157 Å²	157	108.1 Å²	108.1	62%	0.616	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	6.4	-177	61.5	-92.8	0	0	0	113.7	I377	I377-Y379 HydrophobicContact CG2-CD1 4.38Å; I377-Y379 HydrophobicContact CG2-CD2 4.46Å; I377-Y379 HydrophobicContact CG2-CE1 3.96Å; I377-Y379 HydrophobicContact CG2-CE2 4.05Å; I377-Y379 PolarHBondContact O-N 3.34Å
380	I	77	Confident	79.6	Confident	82 Å²	82	107.3 Å²	107.3	42%	0.421	50%	0.504	S	S	.	.	S	Bend	trans	-126.1	119.1	174.6	-58	-174	0	0	0	109	I377 F382	I377-I380 HydrophobicContact CG2-CB 3.76Å; I377-I380 HydrophobicContact CG2-CD1 3.7Å; I377-I380 HydrophobicContact CG2-CG1 3.59Å; I377-I380 PolarHBondContact O-N 3.15Å; I380-F382 HydrophobicContact CB-CE2 4.19Å; I380-F382 HydrophobicContact CB-CZ 4.33Å; I380-F382 HydrophobicContact CG2-CE1 4.35Å; I380-F382 HydrophobicContact CG2-CE2 4.22Å; I380-F382 HydrophobicContact CG2-CZ 4.1Å; I380-F382 WeakPolarHBondContact O-CD2 3.3Å; I380-F382 PolarHBondContact O-N 3.08Å
381	D	70.9	Confident	79.8	Confident	121 Å²	121	108.6 Å²	108.6	65%	0.647	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-74.8	120.3	170.3	-76.1	-34.2	0	0	0	110.3
382	F	70.9	Confident	79.9	Confident	77 Å²	77	103.6 Å²	103.6	34%	0.338	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-97.2	127.2	174.2	-65.9	-84.9	0	0	0	110.2	I370 I377 I380	I370-F382 HydrophobicContact CG1-CD1 4.48Å; I370-F382 HydrophobicContact CG1-CE1 4.13Å; I370-F382 HydrophobicContact CG2-CD1 3.75Å; I370-F382 HydrophobicContact CG2-CE1 3.97Å; I370-F382 HydrophobicContact CG2-CG 4.26Å; I377-F382 HydrophobicContact CB-CE2 4.27Å; I377-F382 HydrophobicContact CD1-CZ 4.28Å; I377-F382 HydrophobicContact CG2-CE2 4.41Å; I377-F382 HydrophobicContact CG2-CZ 4.49Å; I380-F382 HydrophobicContact CB-CE2 4.19Å; I380-F382 HydrophobicContact CB-CZ 4.33Å; I380-F382 HydrophobicContact CG2-CE1 4.35Å; I380-F382 HydrophobicContact CG2-CE2 4.22Å; I380-F382 HydrophobicContact CG2-CZ 4.1Å; I380-F382 WeakPolarHBondContact O-CD2 3.3Å; I380-F382 PolarHBondContact O-N 3.08Å
383	E	70.1	Confident	79.9	Confident	114 Å²	114	98.9 Å²	98.9	53%	0.533	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-56.6	144.7	168	-69.6	-170.5	173.8	0	0	111.3	L385 Q389 R392	E383-L385 PolarHBondContact O-N 2.98Å; E383-Q389 PolarHBondContact OE2-NE2 2.93Å; E383-Q389 PolarHBondContact OE2-OE1 2.86Å; E383-R392 VanDerWaalsContact CD-NH2 3.35Å; E383-R392 IonicContact OE1-NH2 2.67Å; E383-R392 PolarHBondContact OE1-NH2 3.4Å; E383-R392 IonicContact OE2-CZ 3.75Å; E383-R392 IonicContact OE2-NH2 3.51Å; E383-R392 PolarHBondContact OE2-NH2 3.48Å
384	L	69.6	Low	80.1	Confident	157 Å²	157	99.1 Å²	99.1	82%	0.822	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-54.8	131.3	173.7	-85.2	155.8	0	0	0	110.8	T386	L384-T386 PolarHBondContact O-N 3.15Å
385	L	74.7	Confident	80.6	Confident	122 Å²	122	97 Å²	97	64%	0.639	45%	0.449	S	S	*	.			trans	-71	72.6	-174.1	-161.2	98.4	0	0	0	112.3	T367 E383	T367-L385 HydrophobicContact CG2-CD1 4.03Å; E383-L385 PolarHBondContact O-N 2.98Å
386	T	83.2	Confident	81.1	Confident	72 Å²	72	91.4 Å²	91.4	44%	0.442	42%	0.422	S	S	.	.			trans	-81.1	158.5	175.6	64.2	0	0	0	0	111.4	L384 W388 Q389 F390	L384-T386 PolarHBondContact O-N 3.15Å; T386-W388 PolarHBondContact O-N 2.56Å; T386-Q389 PolarHBondContact O-N 2.94Å; T386-Q389 VanDerWaalsContact O-N 3.13Å; T386-Q389 WeakPolarHBondContact OG1-CB 3.44Å; T386-Q389 PolarHBondContact OG1-N 3.24Å; T386-Q389 VanDerWaalsContact OG1-N 3.1Å; T386-F390 PolarHBondContact O-N 3Å
387	I	85.5	Confident	81.5	Confident	141 Å²	141	84 Å²	84	72%	0.723	39%	0.39	S	S	*	.	H	α-helix	trans	-58.8	-36.4	174.2	-59.4	172.4	0	0	0	110.6	F390 I391	I387-F390 PolarHBondContact O-N 3.07Å; I387-I391 HydrophobicContact CG2-CD1 4.31Å; I387-I391 WeakPolarHBondContact O-CG1 3.43Å; I387-I391 PolarHBondContact O-N 3.18Å
388	W	85.6	Confident	81.8	Confident	130 Å²	130	84.3 Å²	84.3	49%	0.492	39%	0.392	S	S	.	.	H	α-helix	trans	-65.8	-43	175.7	-172.7	-117.1	0	0	0	111.9	F82 T386 F390 I391 R392	F82-W388 HydrophobicContact CD1-CH2 4.46Å; T386-W388 PolarHBondContact O-N 2.56Å; W388-F390 VanDerWaalsContact C-N 3.31Å; W388-F390 PolarHBondContact O-N 2.99Å; W388-I391 HydrophobicContact CE3-CB 4.37Å; W388-I391 HydrophobicContact CE3-CD1 4.22Å; W388-I391 HydrophobicContact CE3-CG2 4.4Å; W388-I391 HydrophobicContact CZ3-CG2 4.14Å; W388-I391 WeakPolarHBondContact O-CA 3.31Å; W388-I391 WeakPolarHBondContact O-CB 3.18Å; W388-I391 PolarHBondContact O-N 2.98Å; W388-R392 PolarHBondContact O-N 3.08Å
389	Q	82.6	Confident	81.9	Confident	36 Å²	36	75.3 Å²	75.3	17%	0.168	36%	0.358	C	S	.	.	H	α-helix	trans	-61.9	-39.3	176.7	-174.3	63.2	-11.5	0	0	112.3	E383 T386 I391 R392 T393	E383-Q389 PolarHBondContact OE2-NE2 2.93Å; E383-Q389 PolarHBondContact OE2-OE1 2.86Å; T386-Q389 PolarHBondContact O-N 2.94Å; T386-Q389 VanDerWaalsContact O-N 3.13Å; T386-Q389 WeakPolarHBondContact OG1-CB 3.44Å; T386-Q389 PolarHBondContact OG1-N 3.24Å; T386-Q389 VanDerWaalsContact OG1-N 3.1Å; Q389-I391 VanDerWaalsContact C-N 3.29Å; Q389-I391 PolarHBondContact O-N 3.46Å; Q389-R392 PolarHBondContact O-N 2.96Å; Q389-T393 PolarHBondContact O-N 3.27Å; Q389-T393 PolarHBondContact O-OG1 3.48Å
390	F	86.4	Confident	81.9	Confident	65 Å²	65	68.2 Å²	68.2	29%	0.285	33%	0.331	S	S	.	.	H	α-helix	trans	-59.4	-39.3	172.9	-174.4	-108.5	0	0	0	112.6	T367 T386 I387 W388 I394	T367-F390 HydrophobicContact CG2-CD2 3.79Å; T367-F390 HydrophobicContact CG2-CE2 3.98Å; T386-F390 PolarHBondContact O-N 3Å; I387-F390 PolarHBondContact O-N 3.07Å; W388-F390 VanDerWaalsContact C-N 3.31Å; W388-F390 PolarHBondContact O-N 2.99Å; F390-I394 HydrophobicContact CD1-CD1 3.8Å; F390-I394 HydrophobicContact CE1-CD1 3.57Å; F390-I394 HydrophobicContact CE1-CG1 4.44Å; F390-I394 HydrophobicContact CZ-CD1 4.17Å; F390-I394 WeakPolarHBondContact O-CG1 3.31Å; F390-I394 PolarHBondContact O-N 3.08Å
391	I	87.9	Confident	82.4	Confident	65 Å²	65	64.4 Å²	64.4	33%	0.333	31%	0.311	S	S	.	.	H	α-helix	trans	-68.1	-41.8	174.9	-66.1	166	0	0	0	111.2	I387 W388 Q389 T393 I394 I395	I387-I391 HydrophobicContact CG2-CD1 4.31Å; I387-I391 WeakPolarHBondContact O-CG1 3.43Å; I387-I391 PolarHBondContact O-N 3.18Å; W388-I391 HydrophobicContact CE3-CB 4.37Å; W388-I391 HydrophobicContact CE3-CD1 4.22Å; W388-I391 HydrophobicContact CE3-CG2 4.4Å; W388-I391 HydrophobicContact CZ3-CG2 4.14Å; W388-I391 WeakPolarHBondContact O-CA 3.31Å; W388-I391 WeakPolarHBondContact O-CB 3.18Å; W388-I391 PolarHBondContact O-N 2.98Å; Q389-I391 VanDerWaalsContact C-N 3.29Å; Q389-I391 PolarHBondContact O-N 3.46Å; I391-T393 PolarHBondContact O-N 3.46Å; I391-I394 PolarHBondContact O-N 3.08Å; I391-I395 HydrophobicContact CG2-CD1 4.06Å; I391-I395 PolarHBondContact O-N 3.07Å; I391-I395 VanDerWaalsContact O-N 3.14Å
392	R	86.5	Confident	83.1	Confident	56 Å²	56	58.9 Å²	58.9	21%	0.211	28%	0.282	C	S	.	.	H	α-helix	trans	-57.7	-49	174.4	-66.4	-158.8	-71.5	-172.3	1.2	110.9	V83 E383 W388 Q389 I394 I395 R396	V83-R392 HydrophobicContact CG2-CB 4.28Å; V83-R392 HydrophobicContact CG2-CG 4.17Å; E383-R392 VanDerWaalsContact CD-NH2 3.35Å; E383-R392 IonicContact OE1-NH2 2.67Å; E383-R392 PolarHBondContact OE1-NH2 3.4Å; E383-R392 IonicContact OE2-CZ 3.75Å; E383-R392 IonicContact OE2-NH2 3.51Å; E383-R392 PolarHBondContact OE2-NH2 3.48Å; W388-R392 PolarHBondContact O-N 3.08Å; Q389-R392 PolarHBondContact O-N 2.96Å; R392-I394 PolarHBondContact O-N 2.91Å; R392-I395 PolarHBondContact O-N 3.42Å; R392-I395 VanDerWaalsContact O-N 3.12Å; R392-R396 WeakPolarHBondContact O-CG 3.15Å; R392-R396 PolarHBondContact O-N 2.8Å
393	T	85.4	Confident	83.7	Confident	12 Å²	12	56.8 Å²	56.8	7%	0.074	27%	0.272	C	S	.	.	H	α-helix	trans	-59.7	-38.9	176	-66.3	0	0	0	0	112.9	T363 Q389 I391 I395 R396 F397 E1133	T363-T393 HydrophobicContact CG2-CG2 4.12Å; Q389-T393 PolarHBondContact O-N 3.27Å; Q389-T393 PolarHBondContact O-OG1 3.48Å; I391-T393 PolarHBondContact O-N 3.46Å; T393-I395 VanDerWaalsContact C-N 3.34Å; T393-I395 PolarHBondContact O-N 3.3Å; T393-R396 PolarHBondContact O-N 3.04Å; T393-F397 HydrophobicContact CG2-CD2 3.64Å; T393-F397 HydrophobicContact CG2-CE2 3.47Å; T393-F397 VanDerWaalsContact CG2-CE2 3.47Å; T393-F397 VanDerWaalsContact O-CD2 3.26Å; T393-F397 WeakPolarHBondContact O-CD2 3.35Å; T393-F397 PolarHBondContact O-N 3.39Å; T393-E1133 WeakPolarHBondContact CG2-OE1 3.26Å; T393-E1133 PolarHBondContact OG1-OE1 2.88Å
394	I	89.2	Confident	84.6	Confident	35 Å²	35	51.8 Å²	51.8	18%	0.179	25%	0.249	C	C	.	.	H	α-helix	trans	-58.4	-45.7	173.3	-71.5	162.2	0	0	0	111.4	L360 T363 F390 I391 R392 L398	L360-I394 HydrophobicContact CD2-CD1 3.92Å; L360-I394 HydrophobicContact CD2-CG1 4.31Å; T363-I394 HydrophobicContact CG2-CB 4.13Å; T363-I394 HydrophobicContact CG2-CG1 3.51Å; F390-I394 HydrophobicContact CD1-CD1 3.8Å; F390-I394 HydrophobicContact CE1-CD1 3.57Å; F390-I394 HydrophobicContact CE1-CG1 4.44Å; F390-I394 HydrophobicContact CZ-CD1 4.17Å; F390-I394 WeakPolarHBondContact O-CG1 3.31Å; F390-I394 PolarHBondContact O-N 3.08Å; I391-I394 PolarHBondContact O-N 3.08Å; R392-I394 PolarHBondContact O-N 2.91Å; I394-L398 WeakPolarHBondContact O-CB 3.42Å; I394-L398 PolarHBondContact O-N 3.42Å
395	I	87.5	Confident	85.4	Confident	21 Å²	21	44.6 Å²	44.6	11%	0.108	21%	0.211	C	C	.	.	H	α-helix	trans	-71.2	-37.8	-177.9	-65.8	166.4	0	0	0	111.2	V83 I391 R392 T393 L398 F399	V83-I395 HydrophobicContact CB-CB 4.42Å; V83-I395 HydrophobicContact CB-CG2 3.82Å; V83-I395 HydrophobicContact CG1-CG2 4.11Å; V83-I395 HydrophobicContact CG2-CB 3.8Å; V83-I395 HydrophobicContact CG2-CD1 3.79Å; V83-I395 HydrophobicContact CG2-CG1 4.4Å; V83-I395 HydrophobicContact CG2-CG2 3.67Å; I391-I395 HydrophobicContact CG2-CD1 4.06Å; I391-I395 PolarHBondContact O-N 3.07Å; I391-I395 VanDerWaalsContact O-N 3.14Å; R392-I395 PolarHBondContact O-N 3.42Å; R392-I395 VanDerWaalsContact O-N 3.12Å; T393-I395 VanDerWaalsContact C-N 3.34Å; T393-I395 PolarHBondContact O-N 3.3Å; I395-L398 VanDerWaalsContact O-CB 3.31Å; I395-L398 WeakPolarHBondContact O-CB 3.2Å; I395-L398 PolarHBondContact O-N 2.89Å; I395-L398 VanDerWaalsContact O-N 3.16Å; I395-F399 HydrophobicContact CG2-CD2 4.41Å; I395-F399 HydrophobicContact CG2-CE1 4.24Å; I395-F399 HydrophobicContact CG2-CE2 3.65Å; I395-F399 HydrophobicContact CG2-CZ 3.54Å; I395-F399 WeakPolarHBondContact O-CD2 3.36Å; I395-F399 PolarHBondContact O-N 3.34Å; I395-F399 VanDerWaalsContact O-N 3.09Å
396	R	85.4	Confident	85.6	Confident	84 Å²	84	38.9 Å²	38.9	32%	0.317	18%	0.181	S	C	.	.	H	α-helix	trans	-63.5	-45	175.8	-66.9	177.2	82.7	-148.2	15.5	111.8	V83 V86 R392 T393 L398 F399 E1133	V83-R396 HydrophobicContact CG1-CG 3.35Å; V86-R396 HydrophobicContact CG2-CB 4.49Å; V86-R396 HydrophobicContact CG2-CG 4.46Å; R392-R396 WeakPolarHBondContact O-CG 3.15Å; R392-R396 PolarHBondContact O-N 2.8Å; T393-R396 PolarHBondContact O-N 3.04Å; R396-L398 VanDerWaalsContact C-N 3.31Å; R396-L398 PolarHBondContact O-N 3.22Å; R396-F399 PolarHBondContact O-N 2.95Å; R396-E1133 WeakPolarHBondContact CB-OE2 3.49Å; R396-E1133 WeakPolarHBondContact CD-OE2 3.18Å; R396-E1133 IonicContact CZ-OE2 2.73Å; R396-E1133 IonicContact NE-OE2 3.2Å; R396-E1133 PolarHBondContact NE-OE2 3.16Å; R396-E1133 VanDerWaalsContact NH1-CD 3.31Å; R396-E1133 IonicContact NH1-OE1 3.09Å; R396-E1133 IonicContact NH1-OE2 2.8Å; R396-E1133 PolarHBondContact NH1-OE2 3.48Å
397	F	87.8	Confident	85.3	Confident	0 Å²	0	37 Å²	37	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.9	-32.5	172	-76.4	-58.8	0	0	0	113.1	T359 I362 T363 T393 F399 I400 I401 I1126 E1133	T359-F397 HydrophobicContact CG2-CB 4.48Å; I362-F397 HydrophobicContact CG2-CD1 3.78Å; I362-F397 HydrophobicContact CG2-CD2 4.1Å; I362-F397 HydrophobicContact CG2-CE1 3.67Å; I362-F397 HydrophobicContact CG2-CE2 3.96Å; I362-F397 HydrophobicContact CG2-CG 4.01Å; I362-F397 HydrophobicContact CG2-CZ 3.76Å; T363-F397 HydrophobicContact CG2-CD2 3.67Å; T363-F397 HydrophobicContact CG2-CE2 4.38Å; T393-F397 HydrophobicContact CG2-CD2 3.64Å; T393-F397 HydrophobicContact CG2-CE2 3.47Å; T393-F397 VanDerWaalsContact CG2-CE2 3.47Å; T393-F397 VanDerWaalsContact O-CD2 3.26Å; T393-F397 WeakPolarHBondContact O-CD2 3.35Å; T393-F397 PolarHBondContact O-N 3.39Å; F397-F399 VanDerWaalsContact C-N 3.33Å; F397-F399 PolarHBondContact O-N 3.49Å; F397-I400 HydrophobicContact CD1-CD1 4.44Å; F397-I400 PolarHBondContact O-N 3.08Å; F397-I401 WeakPolarHBondContact O-CG1 3.48Å; F397-I401 PolarHBondContact O-N 3.44Å; F397-I401 VanDerWaalsContact O-N 3.12Å; F397-I1126 HydrophobicContact CD1-CD1 4.04Å; F397-I1126 HydrophobicContact CE1-CD1 4.05Å; F397-I1126 HydrophobicContact CE1-CG1 4.32Å; F397-I1126 HydrophobicContact CE1-CG2 3.71Å; F397-I1126 HydrophobicContact CZ-CG2 4.33Å; F397-E1133 HydrophobicContact CE1-CG 4.05Å; F397-E1133 HydrophobicContact CE2-CG 4.17Å; F397-E1133 HydrophobicContact CZ-CG 3.76Å
398	L	87.6	Confident	85	Confident	23 Å²	23	31 Å²	31	12%	0.12	14%	0.139	C	C	.	.	H	α-helix	trans	-60.9	-39.7	174.6	-174.2	68.8	0	0	0	111.9	I76 M355 T359 I394 I395 R396 I400 I401 N402	I76-L398 HydrophobicContact CD1-CD2 3.87Å; I76-L398 HydrophobicContact CD1-CG 4.01Å; M355-L398 HydrophobicContact CE-CD1 3.65Å; M355-L398 HydrophobicContact CG-CD1 3.82Å; M355-L398 HydrophobicContact SD-CD1 3.69Å; T359-L398 HydrophobicContact CG2-CB 4.18Å; T359-L398 HydrophobicContact CG2-CD1 4.01Å; I394-L398 WeakPolarHBondContact O-CB 3.42Å; I394-L398 PolarHBondContact O-N 3.42Å; I395-L398 VanDerWaalsContact O-CB 3.31Å; I395-L398 WeakPolarHBondContact O-CB 3.2Å; I395-L398 PolarHBondContact O-N 2.89Å; I395-L398 VanDerWaalsContact O-N 3.16Å; R396-L398 VanDerWaalsContact C-N 3.31Å; R396-L398 PolarHBondContact O-N 3.22Å; L398-I400 PolarHBondContact O-N 3.34Å; L398-I401 PolarHBondContact O-N 3.14Å; L398-N402 WeakPolarHBondContact O-CB 3.26Å; L398-N402 PolarHBondContact O-N 2.92Å
399	F	83.1	Confident	85	Confident	11 Å²	11	25 Å²	25	5%	0.048	12%	0.116	C	C	.	.	H	α-helix	trans	-64	-38	176.8	-63	-40.4	0	0	0	113.3	I76 T79 Y80 V83 I395 R396 F397 N402	I76-F399 HydrophobicContact CG2-CD1 4.46Å; I76-F399 HydrophobicContact CG2-CE1 4.47Å; T79-F399 WeakPolarHBondContact OG1-CE1 3.35Å; Y80-F399 HydrophobicContact CD1-CD1 4.33Å; Y80-F399 HydrophobicContact CD1-CD2 4.42Å; Y80-F399 AromaticContact CD1-CE1 3.74Å; Y80-F399 HydrophobicContact CD1-CE1 3.74Å; Y80-F399 AromaticContact CD1-CE2 3.83Å; Y80-F399 HydrophobicContact CD1-CE2 3.83Å; Y80-F399 AromaticContact CD1-CZ 3.47Å; Y80-F399 HydrophobicContact CD1-CZ 3.47Å; Y80-F399 VanDerWaalsContact CD1-CZ 3.47Å; Y80-F399 AromaticContact CD2-CE1 3.82Å; Y80-F399 HydrophobicContact CD2-CE1 3.82Å; Y80-F399 HydrophobicContact CD2-CZ 4.23Å; Y80-F399 AromaticContact CE1-CD1 3.7Å; Y80-F399 HydrophobicContact CE1-CD1 3.7Å; Y80-F399 AromaticContact CE1-CD2 3.96Å; Y80-F399 HydrophobicContact CE1-CD2 3.96Å; Y80-F399 AromaticContact CE1-CE1 3.59Å; Y80-F399 HydrophobicContact CE1-CE1 3.59Å; Y80-F399 AromaticContact CE1-CE2 3.84Å; Y80-F399 HydrophobicContact CE1-CE2 3.84Å; Y80-F399 AromaticContact CE1-CG 3.91Å; Y80-F399 HydrophobicContact CE1-CG 3.91Å; Y80-F399 AromaticContact CE1-CZ 3.67Å; Y80-F399 HydrophobicContact CE1-CZ 3.67Å; Y80-F399 AromaticContact CE2-CD1 3.94Å; Y80-F399 HydrophobicContact CE2-CD1 3.94Å; Y80-F399 AromaticContact CE2-CE1 3.67Å; Y80-F399 HydrophobicContact CE2-CE1 3.67Å; Y80-F399 HydrophobicContact CE2-CZ 4.39Å; Y80-F399 AromaticContact CG-CE1 3.85Å; Y80-F399 HydrophobicContact CG-CE1 3.85Å; Y80-F399 AromaticContact CG-CZ 3.77Å; Y80-F399 HydrophobicContact CG-CZ 3.77Å; Y80-F399 AromaticContact CZ-CD1 3.47Å; Y80-F399 VanDerWaalsContact CZ-CD1 3.47Å; Y80-F399 AromaticContact CZ-CE1 3.54Å; V83-F399 HydrophobicContact CB-CE2 4.41Å; V83-F399 HydrophobicContact CG1-CE2 4.17Å; I395-F399 HydrophobicContact CG2-CD2 4.41Å; I395-F399 HydrophobicContact CG2-CE1 4.24Å; I395-F399 HydrophobicContact CG2-CE2 3.65Å; I395-F399 HydrophobicContact CG2-CZ 3.54Å; I395-F399 WeakPolarHBondContact O-CD2 3.36Å; I395-F399 PolarHBondContact O-N 3.34Å; I395-F399 VanDerWaalsContact O-N 3.09Å; R396-F399 PolarHBondContact O-N 2.95Å; F397-F399 VanDerWaalsContact C-N 3.33Å; F397-F399 PolarHBondContact O-N 3.49Å; F399-N402 WeakPolarHBondContact O-CB 3.44Å
400	I	82.4	Confident	84.9	Confident	9 Å²	9	24.6 Å²	24.6	5%	0.046	12%	0.115	C	C	.	.	H	α-helix	trans	-68.8	-38.5	177.4	-56.2	171.6	0	0	0	110.7	F397 L398 Q1122 I1126	F397-I400 HydrophobicContact CD1-CD1 4.44Å; F397-I400 PolarHBondContact O-N 3.08Å; L398-I400 PolarHBondContact O-N 3.34Å; I400-Q1122 HydrophobicContact CG2-CB 4.04Å; I400-Q1122 HydrophobicContact CG2-CG 4.4Å; I400-I1126 HydrophobicContact CD1-CD1 4.2Å; I400-I1126 HydrophobicContact CG2-CD1 4.11Å
401	I	87.7	Confident	84.5	Confident	1 Å²	1	23.3 Å²	23.3	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-87.8	-15.3	-174.6	-60.2	166.5	0	0	0	112.2	M355 I358 T359 I362 F397 L398 Y403 L404 V1119 L1123	M355-I401 HydrophobicContact CB-CG2 4.27Å; M355-I401 HydrophobicContact CG-CB 4.36Å; M355-I401 HydrophobicContact CG-CG2 3.75Å; I358-I401 HydrophobicContact CG2-CD1 4Å; T359-I401 HydrophobicContact CG2-CB 4.17Å; T359-I401 HydrophobicContact CG2-CD1 3.66Å; T359-I401 HydrophobicContact CG2-CG1 4.44Å; I362-I401 HydrophobicContact CD1-CD1 3.6Å; F397-I401 WeakPolarHBondContact O-CG1 3.48Å; F397-I401 PolarHBondContact O-N 3.44Å; F397-I401 VanDerWaalsContact O-N 3.12Å; L398-I401 PolarHBondContact O-N 3.14Å; I401-Y403 PolarHBondContact O-N 2.99Å; I401-L404 VanDerWaalsContact O-CB 3.22Å; I401-L404 WeakPolarHBondContact O-CB 3.48Å; I401-L404 PolarHBondContact O-N 3.22Å; I401-V1119 HydrophobicContact CG1-CG1 4.47Å; I401-V1119 HydrophobicContact CG2-CG1 4Å; I401-L1123 HydrophobicContact CD1-CD2 4.02Å; I401-L1123 HydrophobicContact CG1-CD2 4.23Å
402	N	85.8	Confident	84.4	Confident	6 Å²	6	20.3 Å²	20.3	3%	0.032	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-47.4	-33.6	175.5	176.1	35.6	0	0	0	113.7	Y72 L398 F399 L404 I405	Y72-N402 WeakPolarHBondContact CE1-OD1 3.09Å; Y72-N402 PolarHBondContact OH-OD1 2.96Å; L398-N402 WeakPolarHBondContact O-CB 3.26Å; L398-N402 PolarHBondContact O-N 2.92Å; F399-N402 WeakPolarHBondContact O-CB 3.44Å; N402-L404 PolarHBondContact O-N 3.01Å; N402-I405 PolarHBondContact O-N 3.41Å
403	Y	84.7	Confident	84.4	Confident	32 Å²	32	18 Å²	18	13%	0.125	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-63.1	-6.5	176.9	-64.8	-85.2	0	0	0	114.8	I401 I405 F1118 F1142	I401-Y403 PolarHBondContact O-N 2.99Å; Y403-I405 PolarHBondContact O-N 3.25Å; Y403-F1118 HydrophobicContact CD1-CE1 4.38Å; Y403-F1118 HydrophobicContact CD2-CE1 4.37Å; Y403-F1118 HydrophobicContact CG-CD1 4.41Å; Y403-F1118 AromaticContact CG-CE1 3.95Å; Y403-F1118 HydrophobicContact CG-CE1 3.95Å; Y403-F1142 HydrophobicContact CD1-CD1 4.35Å; Y403-F1142 AromaticContact CD2-CD1 3.71Å; Y403-F1142 HydrophobicContact CD2-CD1 3.71Å; Y403-F1142 HydrophobicContact CD2-CE1 4.09Å; Y403-F1142 HydrophobicContact CE1-CB 3.97Å; Y403-F1142 HydrophobicContact CE1-CD1 4.09Å; Y403-F1142 HydrophobicContact CE2-CB 4.45Å; Y403-F1142 AromaticContact CE2-CD1 3.41Å; Y403-F1142 HydrophobicContact CE2-CD1 3.41Å; Y403-F1142 VanDerWaalsContact CE2-CD1 3.41Å; Y403-F1142 HydrophobicContact CE2-CE1 4.01Å; Y403-F1142 HydrophobicContact CE2-CG 4.28Å; Y403-F1142 HydrophobicContact CG-CD1 4.18Å; Y403-F1142 AromaticContact CZ-CD1 3.62Å
404	L	88.6	Confident	84.3	Confident	10 Å²	10	19.6 Å²	19.6	5%	0.052	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-60.6	-26.3	168	-167.7	64.2	0	0	0	112.2	F351 M355 I401 N402 P406 V1116 V1119	F351-L404 HydrophobicContact CD1-CD1 4.17Å; F351-L404 HydrophobicContact CD1-CD2 4.02Å; F351-L404 HydrophobicContact CD1-CG 3.87Å; F351-L404 HydrophobicContact CE1-CD1 4.39Å; M355-L404 HydrophobicContact CB-CD2 3.99Å; I401-L404 VanDerWaalsContact O-CB 3.22Å; I401-L404 WeakPolarHBondContact O-CB 3.48Å; I401-L404 PolarHBondContact O-N 3.22Å; N402-L404 PolarHBondContact O-N 3.01Å; L404-P406 WeakPolarHBondContact O-CD 3.1Å; L404-V1116 HydrophobicContact CD1-CG2 3.86Å; L404-V1119 HydrophobicContact CB-CG2 3.97Å; L404-V1119 HydrophobicContact CD1-CB 4.37Å; L404-V1119 HydrophobicContact CD1-CG2 4.32Å
405	I	86	Confident	84.1	Confident	5 Å²	5	22.6 Å²	22.6	3%	0.026	11%	0.107	C	C	.	.	S	Bend	trans	-108.2	97.6	179.1	-59.5	178.5	0	0	0	108.7	Y72 F73 L348 F351 M352 N402 Y403 I407	Y72-I405 HydrophobicContact CD1-CD1 4.13Å; Y72-I405 HydrophobicContact CD1-CG2 4.28Å; Y72-I405 HydrophobicContact CD2-CD1 4.43Å; Y72-I405 HydrophobicContact CE1-CB 4.07Å; Y72-I405 HydrophobicContact CE1-CD1 3.77Å; Y72-I405 HydrophobicContact CE1-CG1 4.46Å; Y72-I405 HydrophobicContact CE1-CG2 4.19Å; Y72-I405 HydrophobicContact CE2-CD1 4.11Å; Y72-I405 HydrophobicContact CG-CD1 4.45Å; F73-I405 HydrophobicContact CE1-CG2 4.29Å; F73-I405 HydrophobicContact CZ-CG2 3.87Å; L348-I405 HydrophobicContact CD2-CG2 3.95Å; F351-I405 HydrophobicContact CB-CG1 4.26Å; M352-I405 HydrophobicContact CB-CD1 4.27Å; M352-I405 HydrophobicContact CE-CD1 4.09Å; M352-I405 HydrophobicContact CG-CD1 3.3Å; N402-I405 PolarHBondContact O-N 3.41Å; Y403-I405 PolarHBondContact O-N 3.25Å; I405-I407 PolarHBondContact O-N 3.08Å; I405-I407 VanDerWaalsContact O-N 3.12Å
406	P	78.9	Confident	84.2	Confident	2 Å²	2	21.6 Å²	21.6	1%	0.013	10%	0.102	C	C	.	.			trans	-71.9	109.1	-174.9	26.7	-33.5	0	0	0	111.6	L404 S408 I409 F1111 A1115	L404-P406 WeakPolarHBondContact O-CD 3.1Å; P406-S408 PolarHBondContact O-N 3.24Å; P406-S408 VanDerWaalsContact O-N 3.1Å; P406-I409 HydrophobicContact CG-CB 4.18Å; P406-I409 HydrophobicContact CG-CG2 4.44Å; P406-I409 WeakPolarHBondContact O-CG2 3.06Å; P406-I409 PolarHBondContact O-N 3.49Å; P406-I409 VanDerWaalsContact O-N 3.08Å; P406-F1111 HydrophobicContact CB-CD1 4Å; P406-F1111 HydrophobicContact CG-CB 4.21Å; P406-F1111 HydrophobicContact CG-CD1 4.14Å; P406-A1115 HydrophobicContact CG-CB 4.24Å
407	I	75.8	Confident	84.4	Confident	34 Å²	34	17.6 Å²	17.6	17%	0.174	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-40.4	177.9	-59.4	158.5	0	0	0	112	F73 P95 L99 I405 I409	F73-I407 HydrophobicContact CD1-CG1 3.93Å; F73-I407 HydrophobicContact CE1-CB 4.4Å; F73-I407 HydrophobicContact CE1-CD1 4.29Å; F73-I407 HydrophobicContact CE1-CG1 3.33Å; F73-I407 HydrophobicContact CE2-CB 4.34Å; F73-I407 HydrophobicContact CE2-CG1 4.04Å; F73-I407 HydrophobicContact CE2-CG2 4.34Å; F73-I407 HydrophobicContact CZ-CB 3.99Å; F73-I407 HydrophobicContact CZ-CG1 3.4Å; F73-I407 VanDerWaalsContact CZ-CG1 3.4Å; F73-I407 HydrophobicContact CZ-CG2 4.47Å; P95-I407 HydrophobicContact CB-CD1 4.33Å; P95-I407 HydrophobicContact CB-CG2 4.32Å; L99-I407 HydrophobicContact CD1-CG2 3.97Å; I405-I407 PolarHBondContact O-N 3.08Å; I405-I407 VanDerWaalsContact O-N 3.12Å; I407-I409 VanDerWaalsContact C-N 3.29Å; I407-I409 PolarHBondContact O-N 3.24Å
408	S	80.8	Confident	84.4	Confident	14 Å²	14	21.4 Å²	21.4	10%	0.098	11%	0.107	C	C	.	.	H	α-helix	trans	-71.7	-11.3	-175.2	46.1	0	0	0	0	115.2	P406 I410 T412 N1146	P406-S408 PolarHBondContact O-N 3.24Å; P406-S408 VanDerWaalsContact O-N 3.1Å; S408-I410 VanDerWaalsContact C-N 3.34Å; S408-I410 PolarHBondContact O-N 2.81Å; S408-T412 WeakPolarHBondContact O-CB 3.4Å; S408-T412 PolarHBondContact O-N 2.8Å; S408-T412 PolarHBondContact O-OG1 2.83Å; S408-N1146 PolarHBondContact OG-O 3.24Å
409	I	84.4	Confident	84.5	Confident	3 Å²	3	21.7 Å²	21.7	2%	0.015	11%	0.108	C	C	.	.	H	α-helix	trans	-61.6	-39.3	-175.6	-163.9	176	0	0	0	112.8	P406 I407 I413 M1108 F1111 Y1112	P406-I409 HydrophobicContact CG-CB 4.18Å; P406-I409 HydrophobicContact CG-CG2 4.44Å; P406-I409 WeakPolarHBondContact O-CG2 3.06Å; P406-I409 PolarHBondContact O-N 3.49Å; P406-I409 VanDerWaalsContact O-N 3.08Å; I407-I409 VanDerWaalsContact C-N 3.29Å; I407-I409 PolarHBondContact O-N 3.24Å; I409-I413 HydrophobicContact CG1-CD1 3.89Å; I409-I413 WeakPolarHBondContact O-CD1 3.28Å; I409-I413 VanDerWaalsContact O-CG1 3.25Å; I409-I413 WeakPolarHBondContact O-CG1 3.48Å; I409-I413 PolarHBondContact O-N 3.41Å; I409-I413 VanDerWaalsContact O-N 3.15Å; I409-M1108 HydrophobicContact CD1-CG 4.44Å; I409-F1111 HydrophobicContact CB-CB 4.4Å; I409-F1111 HydrophobicContact CB-CD1 4.08Å; I409-F1111 HydrophobicContact CB-CG 4.18Å; I409-F1111 HydrophobicContact CD1-CB 3.72Å; I409-F1111 HydrophobicContact CD1-CG 4.3Å; I409-F1111 HydrophobicContact CG1-CB 3.9Å; I409-F1111 HydrophobicContact CG1-CD1 4.32Å; I409-F1111 HydrophobicContact CG1-CD2 4.22Å; I409-F1111 HydrophobicContact CG1-CG 3.9Å; I409-Y1112 HydrophobicContact CD1-CD1 4.44Å; I409-Y1112 HydrophobicContact CD1-CE1 3.82Å
410	I	81	Confident	84.9	Confident	29 Å²	29	21.4 Å²	21.4	15%	0.149	11%	0.107	C	C	.	.	H	α-helix	trans	-68.5	-52.4	-176.7	-65	170.6	0	0	0	110.3	A69 S408 T412 I413 E414	A69-I410 HydrophobicContact CB-CD1 3.36Å; S408-I410 VanDerWaalsContact C-N 3.34Å; S408-I410 PolarHBondContact O-N 2.81Å; I410-T412 VanDerWaalsContact C-N 3.29Å; I410-T412 PolarHBondContact O-N 3.42Å; I410-I413 PolarHBondContact O-N 3.08Å; I410-E414 PolarHBondContact O-N 3.38Å
411	V	78.6	Confident	85.3	Confident	38 Å²	38	21.5 Å²	21.5	23%	0.23	11%	0.109	C	C	.	.	H	α-helix	trans	-59.8	-41.2	178.7	176.5	0	0	0	0	111.1	L99 I413 E414 F415	L99-V411 HydrophobicContact CB-CG2 4.06Å; L99-V411 HydrophobicContact CD1-CG2 3.55Å; L99-V411 HydrophobicContact CG-CG2 3.46Å; L99-V411 VanDerWaalsContact CG-CG2 3.46Å; V411-I413 VanDerWaalsContact C-N 3.33Å; V411-I413 PolarHBondContact O-N 2.94Å; V411-E414 PolarHBondContact O-N 3.19Å; V411-F415 VanDerWaalsContact O-CB 3.25Å; V411-F415 WeakPolarHBondContact O-CB 3.47Å; V411-F415 PolarHBondContact O-N 3.38Å
412	T	85.5	Confident	85.4	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.006	13%	0.13	C	C	.	.	H	α-helix	trans	-60.7	-43.7	178.6	-47.9	0	0	0	0	111.2	S408 I410 Q416 T1107 F1111 F1151 L1155	S408-T412 WeakPolarHBondContact O-CB 3.4Å; S408-T412 PolarHBondContact O-N 2.8Å; S408-T412 PolarHBondContact O-OG1 2.83Å; I410-T412 VanDerWaalsContact C-N 3.29Å; I410-T412 PolarHBondContact O-N 3.42Å; T412-Q416 WeakPolarHBondContact O-CB 3.48Å; T412-Q416 PolarHBondContact O-N 3.37Å; T412-T1107 HydrophobicContact CG2-CG2 4.46Å; T412-F1111 HydrophobicContact CG2-CE2 3.85Å; T412-F1111 HydrophobicContact CG2-CZ 3.96Å; T412-F1111 VanDerWaalsContact OG1-CZ 3.26Å; T412-F1111 WeakPolarHBondContact OG1-CZ 3.1Å; T412-F1151 HydrophobicContact CG2-CD2 4.47Å; T412-F1151 HydrophobicContact CG2-CE2 3.98Å; T412-F1151 WeakPolarHBondContact OG1-CE2 3.42Å; T412-L1155 HydrophobicContact CG2-CB 4.27Å; T412-L1155 HydrophobicContact CG2-CD1 4Å
413	I	87	Confident	85.8	Confident	9 Å²	9	29.3 Å²	29.3	5%	0.046	14%	0.144	C	C	.	.	H	α-helix	trans	-71.2	-42.4	-179.9	-65.9	164.7	0	0	0	111.6	I409 I410 V411 F415 Q416 Q417 I1104 M1108	I409-I413 HydrophobicContact CG1-CD1 3.89Å; I409-I413 WeakPolarHBondContact O-CD1 3.28Å; I409-I413 VanDerWaalsContact O-CG1 3.25Å; I409-I413 WeakPolarHBondContact O-CG1 3.48Å; I409-I413 PolarHBondContact O-N 3.41Å; I409-I413 VanDerWaalsContact O-N 3.15Å; I410-I413 PolarHBondContact O-N 3.08Å; V411-I413 VanDerWaalsContact C-N 3.33Å; V411-I413 PolarHBondContact O-N 2.94Å; I413-F415 VanDerWaalsContact C-N 3.34Å; I413-F415 PolarHBondContact O-N 3.43Å; I413-Q416 PolarHBondContact O-N 3.46Å; I413-Q417 HydrophobicContact CG2-CG 4.38Å; I413-Q417 WeakPolarHBondContact O-CB 3.28Å; I413-Q417 WeakPolarHBondContact O-CG 3.31Å; I413-Q417 PolarHBondContact O-N 2.92Å; I413-I1104 HydrophobicContact CG2-CG2 4.03Å; I413-M1108 HydrophobicContact CD1-CE 4.48Å; I413-M1108 HydrophobicContact CD1-CG 3.52Å; I413-M1108 HydrophobicContact CD1-SD 3.99Å; I413-M1108 HydrophobicContact CG1-CG 4.38Å
414	E	82.1	Confident	86.2	Confident	45 Å²	45	27.9 Å²	27.9	21%	0.21	14%	0.138	C	C	.	.	H	α-helix	trans	-63.5	-40.4	177.5	-71.8	-161.1	133.8	0	0	111.8	T103 I410 V411 Q417 L418 Q445	T103-E414 WeakPolarHBondContact CG2-OE2 3.33Å; I410-E414 PolarHBondContact O-N 3.38Å; V411-E414 PolarHBondContact O-N 3.19Å; E414-Q417 PolarHBondContact O-N 3.24Å; E414-L418 PolarHBondContact O-N 2.98Å; E414-Q445 PolarHBondContact OE1-NE2 2.84Å
415	F	85.1	Confident	86.3	Confident	97 Å²	97	28.1 Å²	28.1	43%	0.425	14%	0.141	S	C	.	.	H	α-helix	trans	-66.9	-42.9	175	-177.1	-107	0	0	0	112	V411 I413 Q417 L418 L419 L1155 M1159	V411-F415 VanDerWaalsContact O-CB 3.25Å; V411-F415 WeakPolarHBondContact O-CB 3.47Å; V411-F415 PolarHBondContact O-N 3.38Å; I413-F415 VanDerWaalsContact C-N 3.34Å; I413-F415 PolarHBondContact O-N 3.43Å; F415-Q417 PolarHBondContact O-N 3.24Å; F415-L418 PolarHBondContact O-N 2.93Å; F415-L419 HydrophobicContact CD1-CD1 3.8Å; F415-L419 HydrophobicContact CE1-CD1 3.33Å; F415-L419 HydrophobicContact CE1-CG 4.37Å; F415-L419 HydrophobicContact CE2-CD1 4.36Å; F415-L419 HydrophobicContact CG-CD1 4.48Å; F415-L419 HydrophobicContact CZ-CD1 3.66Å; F415-L419 HydrophobicContact CZ-CG 4.34Å; F415-L419 WeakPolarHBondContact O-CG 3.46Å; F415-L419 PolarHBondContact O-N 2.81Å; F415-L419 VanDerWaalsContact O-N 3.08Å; F415-L1155 HydrophobicContact CD1-CD1 3.89Å; F415-L1155 HydrophobicContact CD1-CD2 4.19Å; F415-L1155 HydrophobicContact CE1-CD1 4.3Å; F415-L1155 HydrophobicContact CE1-CD2 4.03Å; F415-M1159 HydrophobicContact CE1-SD 4.36Å
416	Q	90.7	Very high	86.6	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.9	-44.2	173.8	-178	-176.7	10.7	0	0	111.7	T412 I413 L419 L420 R1103 I1104 G1158	T412-Q416 WeakPolarHBondContact O-CB 3.48Å; T412-Q416 PolarHBondContact O-N 3.37Å; I413-Q416 PolarHBondContact O-N 3.46Å; Q416-L419 PolarHBondContact O-N 3.12Å; Q416-L420 HydrophobicContact CG-CD1 4Å; Q416-L420 VanDerWaalsContact O-CG 3.24Å; Q416-L420 WeakPolarHBondContact O-CG 3.02Å; Q416-L420 PolarHBondContact O-N 3.12Å; Q416-R1103 VanDerWaalsContact NE2-C 3.33Å; Q416-R1103 PolarHBondContact NE2-O 3.29Å; Q416-I1104 VanDerWaalsContact CD-CG1 3.49Å; Q416-I1104 HydrophobicContact CG-CG1 4.1Å; Q416-G1158 VanDerWaalsContact NE2-C 3.26Å; Q416-G1158 PolarHBondContact NE2-O 2.97Å
417	Q	89.5	Confident	87.3	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-60.9	-43.3	175.7	-82.8	-176.1	-25.1	0	0	112.2	I413 E414 F415 L419 L420 S421 S444 Q445 D448 I1104	I413-Q417 HydrophobicContact CG2-CG 4.38Å; I413-Q417 WeakPolarHBondContact O-CB 3.28Å; I413-Q417 WeakPolarHBondContact O-CG 3.31Å; I413-Q417 PolarHBondContact O-N 2.92Å; E414-Q417 PolarHBondContact O-N 3.24Å; F415-Q417 PolarHBondContact O-N 3.24Å; Q417-L419 VanDerWaalsContact C-N 3.34Å; Q417-L419 PolarHBondContact O-N 3.36Å; Q417-L420 PolarHBondContact O-N 3.41Å; Q417-S421 WeakPolarHBondContact O-CB 3.35Å; Q417-S421 PolarHBondContact O-N 3.3Å; Q417-S444 WeakPolarHBondContact CB-O 3.38Å; Q417-Q445 PolarHBondContact NE2-O 3.02Å; Q417-D448 PolarHBondContact NE2-OD1 3.45Å; Q417-I1104 HydrophobicContact CG-CD1 3.77Å
418	L	87.2	Confident	88.1	Confident	79 Å²	79	38.2 Å²	38.2	41%	0.414	19%	0.194	S	C	.	.	H	α-helix	trans	-58.3	-44.7	174.7	-177.2	153.7	0	0	0	111.8	E414 F415 S421 H422	E414-L418 PolarHBondContact O-N 2.98Å; F415-L418 PolarHBondContact O-N 2.93Å; L418-S421 WeakPolarHBondContact O-CB 3.5Å; L418-S421 PolarHBondContact O-N 2.96Å; L418-H422 PolarHBondContact O-N 3.49Å
419	L	89.7	Confident	88.6	Confident	30 Å²	30	43.2 Å²	43.2	16%	0.157	22%	0.215	C	C	.	.	H	α-helix	trans	-70.5	-38.5	179.1	-69.7	168.8	0	0	0	113	F415 Q416 Q417 S421 H422 F423 M1159	F415-L419 HydrophobicContact CD1-CD1 3.8Å; F415-L419 HydrophobicContact CE1-CD1 3.33Å; F415-L419 HydrophobicContact CE1-CG 4.37Å; F415-L419 HydrophobicContact CE2-CD1 4.36Å; F415-L419 HydrophobicContact CG-CD1 4.48Å; F415-L419 HydrophobicContact CZ-CD1 3.66Å; F415-L419 HydrophobicContact CZ-CG 4.34Å; F415-L419 WeakPolarHBondContact O-CG 3.46Å; F415-L419 PolarHBondContact O-N 2.81Å; F415-L419 VanDerWaalsContact O-N 3.08Å; Q416-L419 PolarHBondContact O-N 3.12Å; Q417-L419 VanDerWaalsContact C-N 3.34Å; Q417-L419 PolarHBondContact O-N 3.36Å; L419-S421 VanDerWaalsContact C-N 3.31Å; L419-S421 PolarHBondContact O-N 3.24Å; L419-H422 WeakPolarHBondContact O-CB 3.47Å; L419-H422 PolarHBondContact O-N 2.82Å; L419-F423 WeakPolarHBondContact O-CD2 3.37Å; L419-F423 WeakPolarHBondContact O-CG 3.41Å; L419-F423 PolarHBondContact O-N 2.87Å; L419-M1159 HydrophobicContact CD1-CE 3.57Å; L419-M1159 HydrophobicContact CD1-CG 4.01Å; L419-M1159 HydrophobicContact CD1-SD 3.53Å; L419-M1159 VanDerWaalsContact CD1-SD 3.53Å
420	L	92.4	Very high	88.9	Confident	5 Å²	5	43.2 Å²	43.2	3%	0.026	22%	0.215	C	C	.	.	H	α-helix	trans	-62.4	-39.8	172.8	-68.6	166.6	0	0	0	111.2	Q416 Q417 H422 F423 I424 A447 I1104	Q416-L420 HydrophobicContact CG-CD1 4Å; Q416-L420 VanDerWaalsContact O-CG 3.24Å; Q416-L420 WeakPolarHBondContact O-CG 3.02Å; Q416-L420 PolarHBondContact O-N 3.12Å; Q417-L420 PolarHBondContact O-N 3.41Å; L420-H422 VanDerWaalsContact C-N 3.31Å; L420-H422 PolarHBondContact O-N 3.31Å; L420-F423 HydrophobicContact CD2-CD2 4.49Å; L420-F423 PolarHBondContact O-N 2.85Å; L420-I424 WeakPolarHBondContact O-CG1 3.32Å; L420-I424 PolarHBondContact O-N 2.96Å; L420-A447 HydrophobicContact CB-CB 4.02Å; L420-A447 HydrophobicContact CD1-CB 4.46Å; L420-I1104 HydrophobicContact CD1-CD1 3.72Å; L420-I1104 HydrophobicContact CD1-CG1 4.05Å
421	S	89.6	Confident	89.3	Confident	11 Å²	11	46 Å²	46	8%	0.077	23%	0.225	C	C	.	.	H	α-helix	trans	-60.5	-38.2	172.9	-169.1	0	0	0	0	112.6	Q417 L418 L419 S425 A441 S444	Q417-S421 WeakPolarHBondContact O-CB 3.35Å; Q417-S421 PolarHBondContact O-N 3.3Å; L418-S421 WeakPolarHBondContact O-CB 3.5Å; L418-S421 PolarHBondContact O-N 2.96Å; L419-S421 VanDerWaalsContact C-N 3.31Å; L419-S421 PolarHBondContact O-N 3.24Å; S421-S425 PolarHBondContact O-N 2.94Å; S421-S425 PolarHBondContact O-OG 3.46Å; S421-A441 WeakPolarHBondContact OG-CB 3.37Å; S421-S444 WeakPolarHBondContact OG-CA 3.35Å
422	H	90.9	Very high	89.5	Confident	98 Å²	98	44.7 Å²	44.7	45%	0.454	22%	0.216	S	C	.	.	H	α-helix	trans	-68.4	-44.3	174.6	-173.8	66.9	0	0	0	111.8	L418 L419 L420 I424 S425 N426	L418-H422 PolarHBondContact O-N 3.49Å; L419-H422 WeakPolarHBondContact O-CB 3.47Å; L419-H422 PolarHBondContact O-N 2.82Å; L420-H422 VanDerWaalsContact C-N 3.31Å; L420-H422 PolarHBondContact O-N 3.31Å; H422-I424 VanDerWaalsContact C-N 3.32Å; H422-I424 PolarHBondContact O-N 3.16Å; H422-S425 PolarHBondContact O-N 3.22Å; H422-S425 VanDerWaalsContact O-N 3.11Å; H422-N426 PolarHBondContact CE1-ND2 3.32Å; H422-N426 VanDerWaalsContact CE1-ND2 3.25Å; H422-N426 PolarHBondContact NE2-ND2 3.47Å; H422-N426 PolarHBondContact O-N 3.01Å
423	F	92.9	Very high	89.4	Confident	72 Å²	72	49 Å²	49	32%	0.316	24%	0.244	S	C	.	.	H	α-helix	trans	-62.7	-34.2	175.8	-63.3	-34.2	0	0	0	113.5	L419 L420 F1160	L419-F423 WeakPolarHBondContact O-CD2 3.37Å; L419-F423 WeakPolarHBondContact O-CG 3.41Å; L419-F423 PolarHBondContact O-N 2.87Å; L420-F423 HydrophobicContact CD2-CD2 4.49Å; L420-F423 PolarHBondContact O-N 2.85Å; F423-F1160 HydrophobicContact CZ-CE1 4.31Å
424	I	93.2	Very high	88.8	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-64.9	-40.3	172.8	-70.3	164.1	0	0	0	111.1	L420 H422 A441 L450 Y1081 L1092 H1096	L420-I424 WeakPolarHBondContact O-CG1 3.32Å; L420-I424 PolarHBondContact O-N 2.96Å; H422-I424 VanDerWaalsContact C-N 3.32Å; H422-I424 PolarHBondContact O-N 3.16Å; I424-A441 HydrophobicContact CG2-CB 4.47Å; I424-L450 HydrophobicContact CD1-CD1 4.07Å; I424-Y1081 HydrophobicContact CD1-CE1 4.03Å; I424-Y1081 HydrophobicContact CG2-CD1 4.3Å; I424-Y1081 HydrophobicContact CG2-CE1 4.45Å; I424-L1092 HydrophobicContact CD1-CD1 4.46Å; I424-L1092 HydrophobicContact CG2-CD1 3.78Å; I424-H1096 HydrophobicContact CD1-CB 4.2Å; I424-H1096 HydrophobicContact CG1-CB 3.86Å
425	S	91.7	Very high	88.4	Confident	15 Å²	15	57.9 Å²	57.9	11%	0.105	29%	0.289	C	S	.	.	H	α-helix	trans	-76.8	-23.2	-175.8	-50.8	0	0	0	0	113.2	S421 H422 S439 A441	S421-S425 PolarHBondContact O-N 2.94Å; S421-S425 PolarHBondContact O-OG 3.46Å; H422-S425 PolarHBondContact O-N 3.22Å; H422-S425 VanDerWaalsContact O-N 3.11Å; S425-S439 WeakPolarHBondContact CA-O 3.3Å; S425-A441 PolarHBondContact OG-N 3.38Å
426	N	91.3	Very high	88.3	Confident	95 Å²	95	59.1 Å²	59.1	51%	0.508	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	9.8	177.8	-64.7	-3.4	0	0	0	113.5	H422 I428	H422-N426 PolarHBondContact CE1-ND2 3.32Å; H422-N426 VanDerWaalsContact CE1-ND2 3.25Å; H422-N426 PolarHBondContact NE2-ND2 3.47Å; H422-N426 PolarHBondContact O-N 3.01Å; N426-I428 PolarHBondContact O-N 2.99Å
427	D	93.8	Very high	87.8	Confident	18 Å²	18	60.2 Å²	60.2	10%	0.096	31%	0.305	C	S	.	.			trans	-74.9	109.3	-177.8	-167.4	-21.7	0	0	0	111.7	H429 M430 R1091 H1096	D427-H429 PolarHBondContact O-N 2.95Å; D427-H429 IonicContact OD1-CD2 3.36Å; D427-H429 PolarHBondContact OD1-N 3.07Å; D427-M430 HydrophobicContact CB-CB 4.28Å; D427-M430 HydrophobicContact CB-CG 4.16Å; D427-M430 HydrophobicContact CB-SD 4.28Å; D427-M430 WeakPolarHBondContact O-CA 3.34Å; D427-M430 PolarHBondContact O-N 3.15Å; D427-R1091 VanDerWaalsContact CG-NE 3.34Å; D427-R1091 IonicContact OD1-CZ 3.19Å; D427-R1091 IonicContact OD1-NE 3.89Å; D427-R1091 PolarHBondContact OD1-NE 2.98Å; D427-R1091 IonicContact OD1-NH2 2.67Å; D427-R1091 PolarHBondContact OD1-NH2 3.28Å; D427-R1091 IonicContact OD2-CZ 3.74Å; D427-R1091 IonicContact OD2-NE 3.7Å; D427-R1091 PolarHBondContact OD2-NE 3.06Å; D427-R1091 IonicContact OD2-NH2 2.88Å; D427-R1091 PolarHBondContact OD2-NH2 3.19Å; D427-H1096 IonicContact OD2-CD2 2.66Å; D427-H1096 IonicContact OD2-CE1 3.24Å; D427-H1096 IonicContact OD2-NE2 2.6Å; D427-H1096 PolarHBondContact OD2-NE2 3.01Å
428	I	92.4	Very high	87.7	Confident	141 Å²	141	62.6 Å²	62.6	72%	0.723	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-58.1	-31.7	-178.8	-57.3	171.1	0	0	0	111.6	N426 M430 Y431	N426-I428 PolarHBondContact O-N 2.99Å; I428-M430 PolarHBondContact O-N 3.47Å; I428-Y431 PolarHBondContact O-N 2.83Å
429	H	91.1	Very high	87.7	Confident	119 Å²	119	58.9 Å²	58.9	55%	0.551	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-78.8	3.2	177.3	-65.1	-73.7	0	0	0	113.7	D427 H1088	D427-H429 PolarHBondContact O-N 2.95Å; D427-H429 IonicContact OD1-CD2 3.36Å; D427-H429 PolarHBondContact OD1-N 3.07Å; H429-H1088 PolarHBondContact O-CD2 3.25Å; H429-H1088 VanDerWaalsContact O-CD2 3.31Å
430	M	91.6	Very high	87.5	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.01	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-117.6	14.9	173.9	-60.2	-175.4	43.7	0	0	112.1	D427 I428 S439 V1083 T1084 H1088 R1091 L1092	D427-M430 HydrophobicContact CB-CB 4.28Å; D427-M430 HydrophobicContact CB-CG 4.16Å; D427-M430 HydrophobicContact CB-SD 4.28Å; D427-M430 WeakPolarHBondContact O-CA 3.34Å; D427-M430 PolarHBondContact O-N 3.15Å; I428-M430 PolarHBondContact O-N 3.47Å; M430-S439 WeakPolarHBondContact O-CB 3.27Å; M430-S439 PolarHBondContact O-N 2.81Å; M430-S439 VanDerWaalsContact O-N 3.15Å; M430-S439 PolarHBondContact O-OG 3.15Å; M430-V1083 HydrophobicContact CE-CG1 4.14Å; M430-T1084 PolarHBondContact O-OG1 2.71Å; M430-H1088 HydrophobicContact CE-CB 4.35Å; M430-H1088 HydrophobicContact CG-CB 4.2Å; M430-R1091 HydrophobicContact CG-CG 4.46Å; M430-R1091 HydrophobicContact SD-CB 4.35Å; M430-R1091 HydrophobicContact SD-CG 4.26Å; M430-L1092 HydrophobicContact CE-CB 4.19Å; M430-L1092 HydrophobicContact CE-CD1 4.33Å
431	Y	89.1	Confident	87.3	Confident	89 Å²	89	62 Å²	62	35%	0.349	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	136.3	173.3	168.5	-103.3	0	0	0	111.3	I428 P433 N436 I437	I428-Y431 PolarHBondContact O-N 2.83Å; Y431-P433 HydrophobicContact CE1-CB 3.9Å; Y431-N436 PolarHBondContact OH-OD1 2.86Å; Y431-N436 VanDerWaalsContact OH-OD1 3.08Å; Y431-I437 VanDerWaalsContact CD2-O 3.23Å; Y431-I437 WeakPolarHBondContact CD2-O 3.32Å
432	N	82.4	Confident	87	Confident	10 Å²	10	65.3 Å²	65.3	5%	0.053	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	112.2	174.1	-177.9	-4	0	0	0	109.9	I434 N436 I437 T1084	N432-I434 VanDerWaalsContact C-N 3.3Å; N432-I434 PolarHBondContact O-N 3.35Å; N432-I434 PolarHBondContact OD1-N 2.87Å; N432-N436 PolarHBondContact O-N 2.92Å; N432-N436 VanDerWaalsContact O-N 3.13Å; N432-I437 PolarHBondContact N-O 2.88Å; N432-I437 PolarHBondContact O-N 3.33Å; N432-T1084 HydrophobicContact CB-CG2 4.07Å
433	P	83.1	Confident	86.6	Confident	91 Å²	91	62.2 Å²	62.2	59%	0.591	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-19.7	-177.7	29.9	-35.9	0	0	0	114.1	Y431	Y431-P433 HydrophobicContact CE1-CB 3.9Å
434	I	75.8	Confident	86.1	Confident	152 Å²	152	60.1 Å²	60.1	78%	0.779	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-42.1	-177.6	-63.1	166.5	0	0	0	110.7	N432	N432-I434 VanDerWaalsContact C-N 3.3Å; N432-I434 PolarHBondContact O-N 3.35Å; N432-I434 PolarHBondContact OD1-N 2.87Å
435	E	73.4	Confident	85.7	Confident	89 Å²	89	60.5 Å²	60.5	42%	0.416	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-6.7	-177.3	-59.9	-172.4	162.7	0	0	113	I437	E435-I437 HydrophobicContact CB-CD1 3.87Å; E435-I437 HydrophobicContact CB-CG1 3.86Å; E435-I437 WeakPolarHBondContact O-CG1 3.4Å
436	N	82.2	Confident	85.5	Confident	123 Å²	123	59.9 Å²	59.9	66%	0.658	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	52.2	-172.1	-170.3	13.9	0	0	0	112.1	Y431 N432	Y431-N436 PolarHBondContact OH-OD1 2.86Å; Y431-N436 VanDerWaalsContact OH-OD1 3.08Å; N432-N436 PolarHBondContact O-N 2.92Å; N432-N436 VanDerWaalsContact O-N 3.13Å
437	I	80.8	Confident	85.5	Confident	22 Å²	22	55.3 Å²	55.3	11%	0.113	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	135.6	179.7	-53.7	-178.4	0	0	0	108.6	Y431 N432 E435 Y1068 T1084	Y431-I437 VanDerWaalsContact CD2-O 3.23Å; Y431-I437 WeakPolarHBondContact CD2-O 3.32Å; N432-I437 PolarHBondContact N-O 2.88Å; N432-I437 PolarHBondContact O-N 3.33Å; E435-I437 HydrophobicContact CB-CD1 3.87Å; E435-I437 HydrophobicContact CB-CG1 3.86Å; E435-I437 WeakPolarHBondContact O-CG1 3.4Å; I437-Y1068 HydrophobicContact CD1-CD1 4.09Å; I437-Y1068 HydrophobicContact CG2-CD1 3.9Å; I437-Y1068 HydrophobicContact CG2-CD2 4.08Å; I437-Y1068 HydrophobicContact CG2-CE1 3.67Å; I437-Y1068 HydrophobicContact CG2-CE2 3.86Å; I437-Y1068 HydrophobicContact CG2-CG 4.11Å; I437-T1084 HydrophobicContact CB-CG2 3.92Å; I437-T1084 HydrophobicContact CG2-CG2 3.73Å; I437-T1084 WeakPolarHBondContact O-CG2 3.47Å
438	S	86.4	Confident	85.3	Confident	51 Å²	51	54.5 Å²	54.5	36%	0.357	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	153.6	167	58.5	0	0	0	0	111.4
439	S	87.9	Confident	85.3	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.014	25%	0.25	C	S	.	.			trans	-71.5	140.4	167.8	-59.9	0	0	0	0	109.7	S425 M430 S1082 V1083 T1084	S425-S439 WeakPolarHBondContact CA-O 3.3Å; M430-S439 WeakPolarHBondContact O-CB 3.27Å; M430-S439 PolarHBondContact O-N 2.81Å; M430-S439 VanDerWaalsContact O-N 3.15Å; M430-S439 PolarHBondContact O-OG 3.15Å; S439-S1082 CarbonylContact C-O 3.56Å; S439-S1082 VanDerWaalsContact CA-O 3.26Å; S439-S1082 WeakPolarHBondContact CA-O 3.43Å; S439-S1082 WeakPolarHBondContact CB-O 3.31Å; S439-V1083 WeakPolarHBondContact OG-CA 3.48Å; S439-T1084 PolarHBondContact OG-N 2.86Å
440	H	86.6	Confident	85.3	Confident	91 Å²	91	42.2 Å²	42.2	42%	0.421	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	137	-171.6	-148.7	-74.4	0	0	0	111.5	S1082	H440-S1082 WeakPolarHBondContact CB-OG 3.38Å; H440-S1082 PolarHBondContact N-O 2.92Å; H440-S1082 PolarHBondContact N-OG 2.92Å; H440-S1082 VanDerWaalsContact N-OG 3.07Å; H440-S1082 PolarHBondContact O-N 3.35Å; H440-S1082 PolarHBondContact O-OG 2.93Å
441	A	87.5	Confident	85.3	Confident	9 Å²	9	42.1 Å²	42.1	7%	0.074	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	116.2	168.7	0	0	0	0	0	109.1	S421 I424 S425 Y1081	S421-A441 WeakPolarHBondContact OG-CB 3.37Å; I424-A441 HydrophobicContact CG2-CB 4.47Å; S425-A441 PolarHBondContact OG-N 3.38Å; A441-Y1081 HydrophobicContact CB-CD1 3.73Å; A441-Y1081 HydrophobicContact CB-CE1 3.63Å
442	N	82.3	Confident	85.4	Confident	80 Å²	80	38.5 Å²	38.5	43%	0.428	21%	0.21	S	C	.	.	S	Bend	trans	-85.6	-28.6	176.6	-63.5	-26.8	0	0	0	111.5	V1076 A1079 D1080	N442-V1076 PolarHBondContact ND2-O 3.03Å; N442-A1079 WeakPolarHBondContact CB-O 3.43Å; N442-A1079 PolarHBondContact ND2-O 3.32Å; N442-D1080 PolarHBondContact N-O 2.92Å
443	N	82.7	Confident	85.8	Confident	34 Å²	34	38.2 Å²	38.2	18%	0.182	21%	0.208	C	C	.	.			trans	-120.6	115.5	179.4	-176.6	-8.1	0	0	0	110.2	Q445 L446 D1080	N443-Q445 VanDerWaalsContact C-N 3.34Å; N443-Q445 PolarHBondContact O-N 3.23Å; N443-Q445 PolarHBondContact OD1-N 3.4Å; N443-L446 VanDerWaalsContact ND2-CD1 3.32Å; N443-L446 WeakPolarHBondContact ND2-CD1 3.1Å; N443-D1080 HydrophobicContact CB-CB 3.9Å; N443-D1080 PolarHBondContact N-O 3.07Å; N443-D1080 PolarHBondContact ND2-OD1 2.92Å
444	S	83.8	Confident	86.1	Confident	27 Å²	27	35.5 Å²	35.5	19%	0.189	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-76.9	-17	-176.4	76.1	0	0	0	0	114.3	Q417 S421	Q417-S444 WeakPolarHBondContact CB-O 3.38Å; S421-S444 WeakPolarHBondContact OG-CA 3.35Å
445	Q	83.8	Confident	86.8	Confident	11 Å²	11	28.2 Å²	28.2	5%	0.051	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-90.1	0.7	-167	-68.9	-176.1	-31.7	0	0	114.9	R335 E414 Q417 N443	R335-Q445 VanDerWaalsContact NE-OE1 3.08Å; R335-Q445 VanDerWaalsContact NH2-OE1 3.16Å; E414-Q445 PolarHBondContact OE1-NE2 2.84Å; Q417-Q445 PolarHBondContact NE2-O 3.02Å; N443-Q445 VanDerWaalsContact C-N 3.34Å; N443-Q445 PolarHBondContact O-N 3.23Å; N443-Q445 PolarHBondContact OD1-N 3.4Å
446	L	88.1	Confident	87.8	Confident	1 Å²	1	24 Å²	24	1%	0.005	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-112.7	10.9	-173	-60	179.8	0	0	0	114.7	K336 N443 D448 E449 L450 D1080 Y1081	K336-L446 HydrophobicContact CB-CD1 4.31Å; K336-L446 HydrophobicContact CB-CD2 4.45Å; K336-L446 HydrophobicContact CD-CD1 4.19Å; N443-L446 VanDerWaalsContact ND2-CD1 3.32Å; N443-L446 WeakPolarHBondContact ND2-CD1 3.1Å; L446-D448 VanDerWaalsContact C-N 3.29Å; L446-D448 PolarHBondContact O-N 3.13Å; L446-E449 HydrophobicContact CD2-CG 4.2Å; L446-E449 WeakPolarHBondContact O-CB 3.49Å; L446-E449 PolarHBondContact O-N 3.15Å; L446-L450 PolarHBondContact O-N 2.93Å; L446-D1080 HydrophobicContact CD1-CB 3.94Å; L446-D1080 VanDerWaalsContact CD1-CG 3.46Å; L446-D1080 WeakPolarHBondContact CD1-OD1 3.28Å; L446-Y1081 HydrophobicContact CB-CE2 4.28Å
447	A	90.5	Very high	88.4	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-35.9	-175	0	0	0	0	0	113.5	L420 Y1081 S1100	L420-A447 HydrophobicContact CB-CB 4.02Å; L420-A447 HydrophobicContact CD1-CB 4.46Å; A447-Y1081 WeakPolarHBondContact CA-OH 3.49Å; A447-Y1081 PolarHBondContact N-OH 2.83Å; A447-Y1081 VanDerWaalsContact N-OH 3.14Å; A447-S1100 WeakPolarHBondContact O-CB 3.4Å
448	D	90.4	Very high	89	Confident	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-29.6	174.3	48.4	-65.3	0	0	0	114.2	S338 R340 Q417 L446 L450 G451 I1104	S338-D448 PolarHBondContact OG-OD2 2.81Å; R340-D448 WeakPolarHBondContact CB-OD2 3.41Å; R340-D448 WeakPolarHBondContact CD-OD2 3.24Å; R340-D448 IonicContact CZ-OD2 3.57Å; R340-D448 VanDerWaalsContact NE-CG 3.34Å; R340-D448 IonicContact NE-OD1 2.71Å; R340-D448 IonicContact NE-OD2 3.35Å; R340-D448 PolarHBondContact NE-OD2 2.97Å; R340-D448 IonicContact NH2-OD1 2.86Å; R340-D448 IonicContact NH2-OD2 3.26Å; Q417-D448 PolarHBondContact NE2-OD1 3.45Å; L446-D448 VanDerWaalsContact C-N 3.29Å; L446-D448 PolarHBondContact O-N 3.13Å; D448-L450 VanDerWaalsContact C-N 3.26Å; D448-L450 PolarHBondContact O-N 2.88Å; D448-G451 PolarHBondContact O-N 2.83Å; D448-G451 VanDerWaalsContact O-N 3.15Å; D448-I1104 HydrophobicContact CB-CD1 3.81Å
449	E	90.9	Very high	89.2	Confident	2 Å²	2	15 Å²	15	1%	0.009	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-67.7	-30	179.6	-72.6	-79.4	113.8	0	0	111.5	S338 T339 L446 G451 Q452 V1044 I1063	S338-E449 WeakPolarHBondContact OG-CG 3.18Å; S338-E449 PolarHBondContact OG-OE1 2.93Å; T339-E449 WeakPolarHBondContact CA-OE1 3.35Å; T339-E449 VanDerWaalsContact CB-OE1 3.31Å; T339-E449 WeakPolarHBondContact CB-OE1 3.25Å; T339-E449 VanDerWaalsContact N-CD 3.3Å; T339-E449 PolarHBondContact N-OE1 3.42Å; T339-E449 PolarHBondContact OG1-OE1 3Å; L446-E449 HydrophobicContact CD2-CG 4.2Å; L446-E449 WeakPolarHBondContact O-CB 3.49Å; L446-E449 PolarHBondContact O-N 3.15Å; E449-G451 PolarHBondContact O-N 2.91Å; E449-G451 VanDerWaalsContact O-N 3.1Å; E449-Q452 PolarHBondContact O-N 3.46Å; E449-V1044 HydrophobicContact CB-CG1 4.4Å; E449-V1044 WeakPolarHBondContact OE2-CG1 3.48Å; E449-V1044 WeakPolarHBondContact OE2-CG2 3.27Å; E449-I1063 VanDerWaalsContact C-CD1 3.47Å; E449-I1063 HydrophobicContact CB-CD1 3.68Å; E449-I1063 HydrophobicContact CB-CG1 4.05Å
450	L	92.9	Very high	89	Confident	0 Å²	0	15 Å²	15	0%	0	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-56.3	-24.4	173	-67.2	173.4	0	0	0	112.8	I424 L446 D448 I453 I1063 Y1081 L1092 F1093 G1097 Y1176	I424-L450 HydrophobicContact CD1-CD1 4.07Å; L446-L450 PolarHBondContact O-N 2.93Å; D448-L450 VanDerWaalsContact C-N 3.26Å; D448-L450 PolarHBondContact O-N 2.88Å; L450-I453 HydrophobicContact CD2-CD1 4.35Å; L450-I1063 HydrophobicContact CD2-CD1 3.96Å; L450-I1063 HydrophobicContact CD2-CG2 4.05Å; L450-I1063 HydrophobicContact CG-CD1 4.38Å; L450-Y1081 HydrophobicContact CD1-CE1 4.07Å; L450-Y1081 HydrophobicContact CD1-CE2 3.93Å; L450-Y1081 HydrophobicContact CD2-CD2 4.06Å; L450-Y1081 HydrophobicContact CD2-CE2 3.86Å; L450-Y1081 HydrophobicContact CG-CE2 3.96Å; L450-L1092 HydrophobicContact CD1-CD1 3.72Å; L450-L1092 HydrophobicContact CD1-CG 4.16Å; L450-L1092 HydrophobicContact CD2-CD2 4.37Å; L450-L1092 HydrophobicContact CD2-CG 4.17Å; L450-F1093 HydrophobicContact CD2-CD1 3.88Å; L450-F1093 HydrophobicContact CD2-CE1 3.81Å; L450-G1097 VanDerWaalsContact CB-CA 3.48Å; L450-Y1176 PolarHBondContact O-OH 2.85Å
451	G	90.8	Very high	88.6	Confident	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-86.9	-0.6	175.7	0	0	0	0	0	115.4	D448 E449 G1097 Y1176 I1179	D448-G451 PolarHBondContact O-N 2.83Å; D448-G451 VanDerWaalsContact O-N 3.15Å; E449-G451 PolarHBondContact O-N 2.91Å; E449-G451 VanDerWaalsContact O-N 3.1Å; G451-G1097 VanDerWaalsContact CA-O 3.23Å; G451-G1097 WeakPolarHBondContact CA-O 3.41Å; G451-G1097 PolarHBondContact N-O 3.4Å; G451-Y1176 VanDerWaalsContact C-OH 3.24Å; G451-I1179 WeakPolarHBondContact O-CD1 3.2Å
452	Q	90.7	Very high	87.9	Confident	13 Å²	13	11.8 Å²	11.8	6%	0.061	7%	0.065	C	C	.	.	S	Bend	trans	-123.3	3.8	-174.2	-67	-58.7	-48.9	0	0	114.5	E449 K454 V1044 Y1101 Y1176 I1179 Y1181 Q1182	E449-Q452 PolarHBondContact O-N 3.46Å; Q452-K454 PolarHBondContact O-N 3.13Å; Q452-V1044 HydrophobicContact CB-CB 4.32Å; Q452-V1044 HydrophobicContact CB-CG2 3.73Å; Q452-V1044 WeakPolarHBondContact O-CB 3.42Å; Q452-Y1101 HydrophobicContact CG-CD2 3.69Å; Q452-Y1101 HydrophobicContact CG-CE2 3.83Å; Q452-Y1101 HydrophobicContact CG-CG 4.46Å; Q452-Y1101 VanDerWaalsContact NE2-CD2 3.27Å; Q452-Y1176 PolarHBondContact N-OH 3.35Å; Q452-I1179 PolarHBondContact NE2-O 3.44Å; Q452-Y1181 VanDerWaalsContact OE1-N 3.13Å; Q452-Q1182 HydrophobicContact CG-CG 4.35Å
453	I	91.5	Very high	88	Confident	4 Å²	4	8 Å²	8	2%	0.021	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	125.5	-177.9	-57.7	169.4	0	0	0	110.3	L450 F455 I813 V1044 A1046 I1063 F1093 Y1176	L450-I453 HydrophobicContact CD2-CD1 4.35Å; I453-F455 WeakPolarHBondContact CG2-O 3.44Å; I453-I813 HydrophobicContact CG2-CG2 4.3Å; I453-V1044 HydrophobicContact CG1-CG1 4.3Å; I453-A1046 HydrophobicContact CD1-CB 3.91Å; I453-A1046 HydrophobicContact CG1-CB 4.21Å; I453-A1046 HydrophobicContact CG2-CB 3.79Å; I453-I1063 HydrophobicContact CD1-CD1 3.93Å; I453-I1063 HydrophobicContact CG1-CD1 3.78Å; I453-F1093 HydrophobicContact CD1-CD1 3.54Å; I453-F1093 HydrophobicContact CD1-CD2 3.71Å; I453-F1093 HydrophobicContact CD1-CE1 3.44Å; I453-F1093 VanDerWaalsContact CD1-CE1 3.44Å; I453-F1093 HydrophobicContact CD1-CE2 3.62Å; I453-F1093 HydrophobicContact CD1-CG 3.7Å; I453-F1093 HydrophobicContact CD1-CZ 3.49Å; I453-F1093 VanDerWaalsContact CD1-CZ 3.49Å; I453-Y1176 WeakPolarHBondContact CB-OH 3.07Å; I453-Y1176 PolarHBondContact N-OH 3.36Å
454	K	88.3	Confident	88.2	Confident	33 Å²	33	6.3 Å²	6.3	14%	0.143	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-35.7	173.7	-179.9	173.9	172.6	170.3	0	112.7	Q452 Q814 H970 P1043 V1044 Y1181	Q452-K454 PolarHBondContact O-N 3.13Å; K454-Q814 PolarHBondContact O-N 2.94Å; K454-H970 PolarHBondContact NZ-CE1 3.21Å; K454-H970 PolarHBondContact NZ-NE2 3.26Å; K454-P1043 HydrophobicContact CB-CB 4.38Å; K454-P1043 HydrophobicContact CD-CB 4.24Å; K454-V1044 PolarHBondContact N-O 3.13Å; K454-Y1181 HydrophobicContact CD-CE1 4.36Å; K454-Y1181 WeakPolarHBondContact CE-OH 3.46Å; K454-Y1181 PolarHBondContact NZ-OH 3.41Å
455	F	91.4	Very high	88.2	Confident	0 Å²	0	5 Å²	5	0%	0	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	138	178.1	-66.2	-92.7	0	0	0	110.4	I453 F457 Q814 W816 M1007 V1029 L1033 P1043 V1044 I1045 A1046	I453-F455 WeakPolarHBondContact CG2-O 3.44Å; F455-F457 HydrophobicContact CB-CE2 4.08Å; F455-Q814 WeakPolarHBondContact CA-O 3.43Å; F455-Q814 HydrophobicContact CD1-CB 3.85Å; F455-Q814 HydrophobicContact CE1-CB 3.97Å; F455-Q814 HydrophobicContact CE1-CG 4.49Å; F455-Q814 VanDerWaalsContact CE1-OE1 3.28Å; F455-Q814 VanDerWaalsContact CZ-OE1 3.26Å; F455-W816 HydrophobicContact CE1-CZ2 4.3Å; F455-M1007 HydrophobicContact CE1-SD 3.91Å; F455-M1007 HydrophobicContact CZ-CE 3.92Å; F455-M1007 HydrophobicContact CZ-SD 3.67Å; F455-V1029 HydrophobicContact CD1-CG1 4.19Å; F455-V1029 HydrophobicContact CD2-CG1 4.12Å; F455-V1029 HydrophobicContact CE1-CG1 4.2Å; F455-V1029 HydrophobicContact CE2-CG1 4.13Å; F455-V1029 HydrophobicContact CG-CG1 4.15Å; F455-V1029 HydrophobicContact CZ-CG1 4.18Å; F455-L1033 HydrophobicContact CD2-CD1 4.39Å; F455-L1033 HydrophobicContact CE1-CD1 4.49Å; F455-L1033 HydrophobicContact CE2-CD1 3.36Å; F455-L1033 HydrophobicContact CZ-CD1 3.42Å; F455-L1033 VanDerWaalsContact CZ-CD1 3.42Å; F455-P1043 HydrophobicContact CD2-CB 4.13Å; F455-P1043 HydrophobicContact CD2-CG 4.45Å; F455-P1043 HydrophobicContact CE2-CB 4.05Å; F455-P1043 HydrophobicContact CE2-CG 4.26Å; F455-V1044 PolarHBondContact N-O 2.73Å; F455-I1045 HydrophobicContact CB-CG1 4.23Å; F455-I1045 HydrophobicContact CD2-CG1 4.48Å; F455-A1046 PolarHBondContact O-N 3.19Å
456	L	94.4	Very high	87.8	Confident	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	117.1	173.2	-176.1	63.5	0	0	0	108.9	L808 I813 Q814 I815 W816 A1046 V1048 F1093	L456-L808 HydrophobicContact CD2-CD1 3.79Å; L456-I813 HydrophobicContact CB-CG2 3.72Å; L456-Q814 PolarHBondContact N-O 2.9Å; L456-I815 HydrophobicContact CB-CG1 4.35Å; L456-I815 HydrophobicContact CD2-CG1 4.39Å; L456-I815 CarbonylContact O-C 3.57Å; L456-I815 WeakPolarHBondContact O-CA 3.36Å; L456-W816 PolarHBondContact O-N 2.77Å; L456-A1046 WeakPolarHBondContact CA-O 3.46Å; L456-A1046 HydrophobicContact CD1-CB 3.72Å; L456-V1048 HydrophobicContact CD1-CG2 3.53Å; L456-V1048 HydrophobicContact CG-CG2 4.36Å; L456-F1093 HydrophobicContact CD1-CE2 3.76Å; L456-F1093 HydrophobicContact CD1-CZ 4.08Å; L456-F1093 HydrophobicContact CD2-CE2 4.24Å
457	F	95.3	Very high	86.9	Confident	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	121.3	170.7	-64.5	-80.8	0	0	0	108.9	F455 W816 L818 I1025 V1026 V1029 I1045 A1046 A1047 V1048 M1057	F455-F457 HydrophobicContact CB-CE2 4.08Å; F457-W816 WeakPolarHBondContact CA-O 3.41Å; F457-W816 HydrophobicContact CD1-CB 3.74Å; F457-W816 HydrophobicContact CD1-CE3 4.45Å; F457-W816 HydrophobicContact CD1-CG 4.4Å; F457-W816 HydrophobicContact CE1-CB 3.85Å; F457-W816 AromaticContact CE1-CD2 3.81Å; F457-W816 HydrophobicContact CE1-CD2 3.81Å; F457-W816 AromaticContact CE1-CE3 3.53Å; F457-W816 HydrophobicContact CE1-CE3 3.53Å; F457-W816 HydrophobicContact CE1-CG 4.02Å; F457-W816 HydrophobicContact CE1-CZ3 4.21Å; F457-W816 HydrophobicContact CZ-CD2 4.44Å; F457-W816 HydrophobicContact CZ-CE3 4.27Å; F457-L818 HydrophobicContact CB-CD1 4.04Å; F457-L818 HydrophobicContact CB-CG 4.46Å; F457-L818 HydrophobicContact CD1-CD1 3.41Å; F457-L818 VanDerWaalsContact CD1-CD1 3.41Å; F457-L818 HydrophobicContact CD1-CD2 4.27Å; F457-L818 HydrophobicContact CD1-CG 3.82Å; F457-L818 HydrophobicContact CE1-CD1 4.17Å; F457-L818 HydrophobicContact CG-CD1 4.02Å; F457-I1025 HydrophobicContact CD1-CG2 4.24Å; F457-I1025 HydrophobicContact CE1-CG2 3.59Å; F457-I1025 HydrophobicContact CZ-CG2 4.25Å; F457-V1026 HydrophobicContact CB-CG2 4.44Å; F457-V1026 HydrophobicContact CD2-CG2 3.83Å; F457-V1026 HydrophobicContact CE2-CG2 4.2Å; F457-V1026 HydrophobicContact CG-CG2 4.01Å; F457-V1029 HydrophobicContact CZ-CB 4.07Å; F457-V1029 HydrophobicContact CZ-CG1 4.33Å; F457-V1029 HydrophobicContact CZ-CG2 3.9Å; F457-I1045 HydrophobicContact CD2-CG2 3.43Å; F457-I1045 VanDerWaalsContact CD2-CG2 3.43Å; F457-I1045 HydrophobicContact CE2-CD1 4.41Å; F457-I1045 HydrophobicContact CE2-CG2 3.37Å; F457-A1046 PolarHBondContact N-O 2.88Å; F457-A1047 HydrophobicContact CB-CB 4.4Å; F457-A1047 CarbonylContact O-C 3.54Å; F457-A1047 VanDerWaalsContact O-CA 3.29Å; F457-A1047 WeakPolarHBondContact O-CA 3.19Å; F457-V1048 PolarHBondContact O-N 3.37Å; F457-M1057 HydrophobicContact CB-SD 4.01Å
458	C	93.4	Very high	86.2	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	138.9	176.3	-58.1	0	0	0	0	110.2	W816 I817 L818 F1086	C458-W816 PolarHBondContact N-O 3.38Å; C458-I817 WeakPolarHBondContact O-CA 3.49Å; C458-L818 PolarHBondContact O-N 3.4Å; C458-F1086 HydrophobicContact CB-CE2 4.48Å
459	D	89.7	Confident	85.8	Confident	8 Å²	8	13.9 Å²	13.9	4%	0.043	7%	0.069	C	C	.	.			trans	-69.8	174.1	151.8	-162.4	64	0	0	0	110.8	T461 L464 T819 K1022 V1048 D1054	D459-T461 PolarHBondContact OD2-N 2.85Å; D459-L464 WeakPolarHBondContact O-CG 3.42Å; D459-T819 WeakPolarHBondContact OD1-CA 3.43Å; D459-K1022 IonicContact OD1-NZ 3.48Å; D459-K1022 PolarHBondContact OD1-NZ 3.49Å; D459-V1048 PolarHBondContact N-O 3.05Å; D459-D1054 VanDerWaalsContact CB-OD2 3.29Å; D459-D1054 WeakPolarHBondContact CB-OD2 3.43Å
460	K	84.8	Confident	85.3	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.072	C	C	.	.			trans	-112.8	-49.9	-175.5	-173	-144.6	70.9	146	0	111.8	L464 T465 D795 I817 D821 I829	K460-L464 WeakPolarHBondContact O-CB 3.39Å; K460-L464 PolarHBondContact O-N 3.01Å; K460-T465 PolarHBondContact O-N 3.25Å; K460-T465 VanDerWaalsContact O-N 3.08Å; K460-D795 IonicContact NZ-OD2 2.75Å; K460-I817 HydrophobicContact CB-CG2 4.24Å; K460-D821 VanDerWaalsContact NZ-CG 3.28Å; K460-D821 IonicContact NZ-OD2 3.63Å; K460-D821 PolarHBondContact NZ-OD2 3.25Å; K460-I829 HydrophobicContact CD-CB 4.18Å; K460-I829 HydrophobicContact CD-CD1 3.59Å; K460-I829 HydrophobicContact CD-CG1 4.49Å; K460-I829 HydrophobicContact CD-CG2 4.19Å; K460-I829 HydrophobicContact CG-CB 4.29Å; K460-I829 HydrophobicContact CG-CD1 4.12Å; K460-I829 HydrophobicContact CG-CG2 3.73Å; K460-I829 VanDerWaalsContact NZ-CD1 3.31Å
461	T	77.8	Confident	85	Confident	27 Å²	27	14.5 Å²	14.5	17%	0.166	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	131	-171.7	-58.3	0	0	0	0	108	D459 T463 D821	D459-T461 PolarHBondContact OD2-N 2.85Å; T461-T463 PolarHBondContact O-N 3.12Å; T461-D821 PolarHBondContact OG1-OD1 2.95Å; T461-D821 VanDerWaalsContact OG1-OD1 3.12Å
462	G	71.6	Confident	84.6	Confident	6 Å²	6	18.9 Å²	18.9	6%	0.062	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	-30.2	-176.6	0	0	0	0	0	115.3	T465 Q798 D1050	G462-T465 CarbonylContact C-O 3.6Å; G462-T465 WeakPolarHBondContact CA-O 3.18Å; G462-T465 PolarHBondContact N-O 3.18Å; G462-Q798 PolarHBondContact O-NE2 3.17Å; G462-D1050 VanDerWaalsContact CA-OD2 3.28Å; G462-D1050 WeakPolarHBondContact CA-OD2 3.48Å
463	T	84.3	Confident	84.4	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-51.4	176.5	-69	0	0	0	0	114	T461 Q798 V1048 G1049 D1050 V1067 F1086	T461-T463 PolarHBondContact O-N 3.12Å; T463-Q798 PolarHBondContact O-NE2 2.57Å; T463-V1048 HydrophobicContact CG2-CB 4.42Å; T463-V1048 HydrophobicContact CG2-CG1 3.73Å; T463-G1049 VanDerWaalsContact OG1-CA 3.28Å; T463-G1049 WeakPolarHBondContact OG1-CA 3.44Å; T463-D1050 PolarHBondContact N-OD1 3.34Å; T463-D1050 PolarHBondContact OG1-N 3.38Å; T463-D1050 PolarHBondContact OG1-OD1 2.93Å; T463-V1067 HydrophobicContact CG2-CG2 4.29Å; T463-F1086 HydrophobicContact CG2-CD2 3.88Å; T463-F1086 HydrophobicContact CG2-CE2 4.14Å; T463-F1086 WeakPolarHBondContact O-CB 3.22Å
464	L	87.1	Confident	84.2	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-30.8	175.2	-64.5	174	0	0	0	111.6	D459 K460 L797 Q798 V801 I805 I817 I833 F1086	D459-L464 WeakPolarHBondContact O-CG 3.42Å; K460-L464 WeakPolarHBondContact O-CB 3.39Å; K460-L464 PolarHBondContact O-N 3.01Å; L464-L797 WeakPolarHBondContact O-CA 3.44Å; L464-Q798 PolarHBondContact O-N 2.79Å; L464-V801 HydrophobicContact CD2-CG1 3.73Å; L464-I805 HydrophobicContact CD2-CD1 4.39Å; L464-I817 HydrophobicContact CD1-CD1 4.02Å; L464-I817 HydrophobicContact CD1-CG1 4.38Å; L464-I833 HydrophobicContact CD1-CD1 3.94Å; L464-F1086 HydrophobicContact CD2-CD1 4.21Å; L464-F1086 HydrophobicContact CD2-CD2 3.86Å; L464-F1086 HydrophobicContact CD2-CE1 3.91Å; L464-F1086 HydrophobicContact CD2-CE2 3.54Å; L464-F1086 HydrophobicContact CD2-CG 4.2Å; L464-F1086 HydrophobicContact CD2-CZ 3.58Å
465	T	83.9	Confident	84.1	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	159.6	171.7	82.1	0	0	0	0	110.9	K460 G462 N467 D795 K796 L797 I829	K460-T465 PolarHBondContact O-N 3.25Å; K460-T465 VanDerWaalsContact O-N 3.08Å; G462-T465 CarbonylContact C-O 3.6Å; G462-T465 WeakPolarHBondContact CA-O 3.18Å; G462-T465 PolarHBondContact N-O 3.18Å; T465-N467 PolarHBondContact O-N 2.9Å; T465-N467 PolarHBondContact OG1-N 3.09Å; T465-D795 WeakPolarHBondContact CB-OD1 3.41Å; T465-D795 WeakPolarHBondContact CG2-OD1 3.39Å; T465-D795 PolarHBondContact OG1-OD1 3.29Å; T465-K796 CarbonylContact C-O 3.58Å; T465-K796 WeakPolarHBondContact CA-O 3.21Å; T465-K796 WeakPolarHBondContact CB-O 3.47Å; T465-L797 HydrophobicContact CG2-CD2 4.33Å; T465-I829 HydrophobicContact CG2-CD1 3.63Å; T465-I829 HydrophobicContact CG2-CG1 4.26Å; T465-I829 HydrophobicContact CG2-CG2 4.44Å
466	Q	75.8	Confident	83.9	Confident	71 Å²	71	17 Å²	17	33%	0.332	8%	0.083	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	2.6	175	-58.7	179.1	22.9	0	0	112.6	F468 K796 L797 Q798	Q466-F468 HydrophobicContact CB-CB 4.11Å; Q466-F468 PolarHBondContact O-N 2.91Å; Q466-K796 PolarHBondContact N-O 3.44Å; Q466-L797 PolarHBondContact NE2-O 3.32Å; Q466-Q798 HydrophobicContact CG-CB 4.45Å; Q466-Q798 HydrophobicContact CG-CG 4.02Å
467	N	70.2	Confident	83.4	Confident	49 Å²	49	17 Å²	17	26%	0.262	8%	0.083	S	C	.	.	E	Extended strand (participates in β ladder)	trans	39.8	45.5	-157.5	-165.6	14	0	0	0	112.7	T465 E1071	T465-N467 PolarHBondContact O-N 2.9Å; T465-N467 PolarHBondContact OG1-N 3.09Å; N467-E1071 PolarHBondContact ND2-OE1 3.48Å
468	F	75.4	Confident	82.6	Confident	71 Å²	71	20.7 Å²	20.7	31%	0.311	10%	0.102	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	104.5	175.7	-171.8	-115.8	0	0	0	108.8	Q466 V470 K796	Q466-F468 HydrophobicContact CB-CB 4.11Å; Q466-F468 PolarHBondContact O-N 2.91Å; F468-V470 HydrophobicContact CD1-CG2 3.63Å; F468-V470 HydrophobicContact CE1-CG2 3.34Å; F468-V470 HydrophobicContact CZ-CG2 4.11Å; F468-K796 HydrophobicContact CD1-CD 4.34Å; F468-K796 PolarHBondContact O-N 3.5Å; F468-K796 VanDerWaalsContact O-N 3.1Å
469	M	80.9	Confident	81.8	Confident	8 Å²	8	25.7 Å²	25.7	4%	0.039	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	135.6	178.6	-61.2	-63.4	156.2	0	0	109.2	S611 A615 R738 I793 E794 D795	M469-S611 WeakPolarHBondContact CG-OG 3.48Å; M469-A615 HydrophobicContact CB-CB 3.53Å; M469-A615 WeakPolarHBondContact O-CB 3.39Å; M469-R738 VanDerWaalsContact CE-CZ 3.49Å; M469-I793 HydrophobicContact CB-CG2 3.86Å; M469-I793 HydrophobicContact SD-CG2 4.36Å; M469-E794 CarbonylContact C-O 3.49Å; M469-E794 VanDerWaalsContact CA-O 3.31Å; M469-E794 WeakPolarHBondContact CA-O 3.45Å; M469-D795 HydrophobicContact CE-CB 4Å; M469-D795 WeakPolarHBondContact CE-OD1 3.38Å; M469-D795 WeakPolarHBondContact CE-OD2 3.3Å; M469-D795 HydrophobicContact SD-CB 3.73Å
470	V	81.8	Confident	81	Confident	11 Å²	11	29.5 Å²	29.5	7%	0.067	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	132	176.6	-178.7	0	0	0	0	109.8	F468 Y472 D486 I793 E794 K796	F468-V470 HydrophobicContact CD1-CG2 3.63Å; F468-V470 HydrophobicContact CE1-CG2 3.34Å; F468-V470 HydrophobicContact CZ-CG2 4.11Å; V470-Y472 PolarHBondContact O-N 2.91Å; V470-D486 HydrophobicContact CG1-CB 4.23Å; V470-I793 CarbonylContact O-C 3.52Å; V470-I793 VanDerWaalsContact O-CA 3.31Å; V470-I793 WeakPolarHBondContact O-CA 3.46Å; V470-E794 PolarHBondContact N-O 3.38Å; V470-E794 PolarHBondContact O-N 3.25Å; V470-K796 HydrophobicContact CG2-CD 3.93Å; V470-K796 HydrophobicContact CG2-CG 4.38Å
471	L	86	Confident	80.5	Confident	3 Å²	3	31.3 Å²	31.3	2%	0.016	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	105	166.6	177.8	60	0	0	0	108.4	C485 I561 L616	L471-C485 HydrophobicContact CD2-CB 4.26Å; L471-C485 HydrophobicContact CG-CB 3.89Å; L471-C485 VanDerWaalsContact O-CB 3.24Å; L471-C485 WeakPolarHBondContact O-CB 3.32Å; L471-I561 HydrophobicContact CD2-CD1 4.4Å; L471-L616 HydrophobicContact CD1-CD2 4.08Å
472	Y	83.1	Confident	80.5	Confident	92 Å²	92	32.8 Å²	32.8	36%	0.361	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-47.1	-173.4	-179.4	-94.4	0	0	0	111.2	V470 L484 C485 L737 A792	V470-Y472 PolarHBondContact O-N 2.91Å; Y472-L484 HydrophobicContact CD1-CD1 4.23Å; Y472-L484 HydrophobicContact CE1-CD1 3.79Å; Y472-L484 HydrophobicContact CE2-CD1 4.36Å; Y472-L484 WeakPolarHBondContact O-CD1 3.48Å; Y472-C485 PolarHBondContact O-N 3.3Å; Y472-L737 HydrophobicContact CD1-CD1 3.77Å; Y472-L737 HydrophobicContact CD1-CD2 4.43Å; Y472-L737 HydrophobicContact CE1-CD1 4.29Å; Y472-L737 HydrophobicContact CG-CD1 4.5Å; Y472-L737 HydrophobicContact CG-CD2 4.43Å; Y472-A792 PolarHBondContact N-O 2.84Å
473	S	85.7	Confident	80.6	Confident	7 Å²	7	33.2 Å²	33.2	5%	0.049	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	159.3	179.9	-178.4	0	0	0	0	111.5	V482 Y483 Y732 A792	S473-V482 WeakPolarHBondContact OG-CG1 3.36Å; S473-Y483 WeakPolarHBondContact CA-O 3.36Å; S473-Y483 WeakPolarHBondContact CB-O 3.4Å; S473-Y483 PolarHBondContact OG-O 3.3Å; S473-Y732 PolarHBondContact OG-OH 2.77Å; S473-Y732 VanDerWaalsContact OG-OH 3.04Å; S473-A792 PolarHBondContact N-O 3.01Å; S473-A792 PolarHBondContact O-N 2.79Å
474	C	87.1	Confident	80.1	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.007	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	145.9	168.4	58.2	0	0	0	0	111.3	Y483 F557 V790 T791	C474-Y483 PolarHBondContact N-O 3.42Å; C474-Y483 PolarHBondContact O-N 3.11Å; C474-F557 HydrophobicContact CB-CE1 3.74Å; C474-F557 HydrophobicContact CB-CE2 4.5Å; C474-F557 HydrophobicContact CB-CZ 3.56Å; C474-F557 WeakPolarHBondContact SG-CE1 3.47Å; C474-V790 CarbonylContact C-O 3.59Å; C474-V790 VanDerWaalsContact CA-O 3.31Å; C474-V790 WeakPolarHBondContact CA-O 3.45Å; C474-T791 HydrophobicContact CB-CG2 4.23Å
475	C	87.2	Confident	79.2	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	129.1	175.1	178.8	0	0	0	0	110.3	V482 Y728 Y732 Y789 V790	C475-V482 HydrophobicContact CB-CG2 4.12Å; C475-Y728 HydrophobicContact CB-CD2 4.34Å; C475-Y728 HydrophobicContact CB-CG 4.37Å; C475-Y728 VanDerWaalsContact SG-CD2 3.54Å; C475-Y728 WeakPolarHBondContact SG-CE2 3.35Å; C475-Y732 HydrophobicContact CB-CE2 4.46Å; C475-Y789 VanDerWaalsContact O-CA 3.31Å; C475-Y789 WeakPolarHBondContact O-CA 3.15Å; C475-V790 PolarHBondContact N-O 2.86Å; C475-V790 PolarHBondContact O-N 2.91Å
476	L	87	Confident	78.3	Confident	4 Å²	4	37.9 Å²	37.9	2%	0.021	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	112.5	167.7	165.3	56.2	0	0	0	109.3	N478 K479 E480 E481 Y483 D553 I788 Y789	L476-N478 HydrophobicContact CD1-CB 4.32Å; L476-N478 PolarHBondContact O-N 3.26Å; L476-K479 HydrophobicContact CD2-CB 3.88Å; L476-K479 HydrophobicContact CD2-CD 4.01Å; L476-K479 HydrophobicContact CD2-CG 4.14Å; L476-K479 HydrophobicContact CG-CB 4.17Å; L476-K479 PolarHBondContact O-N 2.65Å; L476-E480 WeakPolarHBondContact O-CA 3.22Å; L476-E480 PolarHBondContact O-N 3.05Å; L476-E481 PolarHBondContact N-O 2.81Å; L476-Y483 HydrophobicContact CB-CE2 4.5Å; L476-D553 HydrophobicContact CD2-CB 3.85Å; L476-I788 HydrophobicContact CD1-CG2 4.25Å; L476-Y789 HydrophobicContact CB-CD1 4.04Å; L476-Y789 HydrophobicContact CB-CE1 3.91Å; L476-Y789 HydrophobicContact CD1-CD1 4.03Å; L476-Y789 HydrophobicContact CD1-CE1 3.4Å; L476-Y789 VanDerWaalsContact CD1-CE1 3.4Å; L476-Y789 HydrophobicContact CG-CE1 4.12Å
477	L	84.4	Confident	77.1	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-34.7	-175.6	-66.3	172.1	0	0	0	112.6	K479 R724 A725 Y728 P787 I788 V790	L477-K479 PolarHBondContact O-N 3.05Å; L477-R724 PolarHBondContact O-NH1 3.29Å; L477-R724 PolarHBondContact O-NH2 2.93Å; L477-A725 HydrophobicContact CD1-CB 3.89Å; L477-A725 HydrophobicContact CD2-CB 3.93Å; L477-Y728 HydrophobicContact CD2-CD2 4.48Å; L477-P787 HydrophobicContact CD1-CB 4.23Å; L477-P787 WeakPolarHBondContact CD1-O 3.48Å; L477-I788 VanDerWaalsContact CB-O 3.26Å; L477-I788 WeakPolarHBondContact CB-O 3.49Å; L477-I788 WeakPolarHBondContact CG-O 3.34Å; L477-I788 PolarHBondContact N-O 2.81Å; L477-V790 HydrophobicContact CD1-CG2 4.34Å; L477-V790 HydrophobicContact CD2-CG2 4.1Å; L477-V790 HydrophobicContact CG-CG2 4.41Å
478	N	78.4	Confident	75.9	Confident	77 Å²	77	43 Å²	43	41%	0.412	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-22.4	-174.4	-72.6	-9.9	0	0	0	113.8	L476 Q721 E786	L476-N478 HydrophobicContact CD1-CB 4.32Å; L476-N478 PolarHBondContact O-N 3.26Å; N478-Q721 PolarHBondContact OD1-NE2 3.08Å; N478-E786 PolarHBondContact ND2-OE1 2.83Å
479	K	75.1	Confident	74.1	Confident	105 Å²	105	44 Å²	44	46%	0.457	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-5.4	179.8	-70.7	-179.4	170.1	162.7	0	115.4	L476 L477 E481 D553	L476-K479 HydrophobicContact CD2-CB 3.88Å; L476-K479 HydrophobicContact CD2-CD 4.01Å; L476-K479 HydrophobicContact CD2-CG 4.14Å; L476-K479 HydrophobicContact CG-CB 4.17Å; L476-K479 PolarHBondContact O-N 2.65Å; L477-K479 PolarHBondContact O-N 3.05Å; K479-E481 HydrophobicContact CB-CG 4.02Å; K479-E481 PolarHBondContact O-N 3.32Å; K479-D553 WeakPolarHBondContact CD-OD2 3.45Å; K479-D553 WeakPolarHBondContact CE-OD2 3.46Å; K479-D553 IonicContact NZ-OD1 2.72Å; K479-D553 IonicContact NZ-OD2 4Å; K479-D553 PolarHBondContact NZ-OD2 2.64Å
480	E	73.6	Confident	71.7	Confident	87 Å²	87	47.3 Å²	47.3	41%	0.407	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	18.2	-176	-52.5	-173.8	173.6	0	0	114.2	L476 Y720 R724	L476-E480 WeakPolarHBondContact O-CA 3.22Å; L476-E480 PolarHBondContact O-N 3.05Å; E480-Y720 PolarHBondContact OE1-OH 3.24Å; E480-Y720 VanDerWaalsContact OE1-OH 3.07Å; E480-R724 VanDerWaalsContact CG-NH1 3.31Å; E480-R724 IonicContact OE1-CZ 2.92Å; E480-R724 IonicContact OE1-NE 2.66Å; E480-R724 PolarHBondContact OE1-NE 3.15Å; E480-R724 IonicContact OE1-NH1 3.4Å; E480-R724 PolarHBondContact OE1-NH1 3.22Å
481	E	74.7	Confident	69.2	Low	39 Å²	39	54.9 Å²	54.9	18%	0.182	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	124.6	176.9	-64.1	-176.4	126.2	0	0	110	L476 K479 Y483 K546 N551	L476-E481 PolarHBondContact N-O 2.81Å; K479-E481 HydrophobicContact CB-CG 4.02Å; K479-E481 PolarHBondContact O-N 3.32Å; E481-Y483 HydrophobicContact CB-CD2 4.46Å; E481-Y483 HydrophobicContact CB-CE2 3.69Å; E481-Y483 PolarHBondContact OE2-OH 2.75Å; E481-Y483 VanDerWaalsContact OE2-OH 3.12Å; E481-K546 IonicContact OE1-NZ 2.67Å; E481-K546 PolarHBondContact OE1-NZ 2.85Å; E481-N551 PolarHBondContact OE2-ND2 3.46Å; E481-N551 VanDerWaalsContact OE2-ND2 3.12Å
482	V	76.7	Confident	66.6	Low	58 Å²	58	61.8 Å²	61.8	35%	0.352	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122.5	174.6	179.9	0	0	0	0	108.9	S473 C475 Y728	S473-V482 WeakPolarHBondContact OG-CG1 3.36Å; C475-V482 HydrophobicContact CB-CG2 4.12Å; V482-Y728 HydrophobicContact CG2-CE1 4.11Å
483	Y	75.1	Confident	64.1	Low	15 Å²	15	62 Å²	62	6%	0.059	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	140.5	179.3	-62.1	-92.6	0	0	0	110	S473 C474 L476 E481 N551 F554	S473-Y483 WeakPolarHBondContact CA-O 3.36Å; S473-Y483 WeakPolarHBondContact CB-O 3.4Å; S473-Y483 PolarHBondContact OG-O 3.3Å; C474-Y483 PolarHBondContact N-O 3.42Å; C474-Y483 PolarHBondContact O-N 3.11Å; L476-Y483 HydrophobicContact CB-CE2 4.5Å; E481-Y483 HydrophobicContact CB-CD2 4.46Å; E481-Y483 HydrophobicContact CB-CE2 3.69Å; E481-Y483 PolarHBondContact OE2-OH 2.75Å; E481-Y483 VanDerWaalsContact OE2-OH 3.12Å; Y483-N551 PolarHBondContact OH-ND2 3.26Å; Y483-F554 HydrophobicContact CD1-CD2 4.01Å; Y483-F554 AromaticContact CD1-CE2 3.92Å; Y483-F554 HydrophobicContact CD1-CE2 3.92Å; Y483-F554 HydrophobicContact CD1-CG 4.42Å; Y483-F554 HydrophobicContact CD1-CZ 4.23Å; Y483-F554 AromaticContact CD2-CD2 3.7Å; Y483-F554 HydrophobicContact CD2-CD2 3.7Å; Y483-F554 AromaticContact CD2-CE2 3.8Å; Y483-F554 HydrophobicContact CD2-CE2 3.8Å; Y483-F554 HydrophobicContact CE1-CD2 4.06Å; Y483-F554 HydrophobicContact CE1-CE2 4.42Å; Y483-F554 HydrophobicContact CE1-CG 4.16Å; Y483-F554 AromaticContact CE2-CD2 3.75Å; Y483-F554 HydrophobicContact CE2-CD2 3.75Å; Y483-F554 HydrophobicContact CE2-CE2 4.31Å; Y483-F554 HydrophobicContact CE2-CG 4.4Å; Y483-F554 AromaticContact CG-CD2 3.83Å; Y483-F554 HydrophobicContact CG-CD2 3.83Å; Y483-F554 AromaticContact CG-CE2 3.57Å; Y483-F554 HydrophobicContact CG-CE2 3.57Å; Y483-F554 HydrophobicContact CG-CZ 4.2Å; Y483-F554 AromaticContact CZ-CD2 3.92Å
484	L	73.3	Confident	61.5	Low	67 Å²	67	67.4 Å²	67.4	35%	0.351	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	128.1	169.3	-170.7	77.3	0	0	0	108.1	Y472	Y472-L484 HydrophobicContact CD1-CD1 4.23Å; Y472-L484 HydrophobicContact CE1-CD1 3.79Å; Y472-L484 HydrophobicContact CE2-CD1 4.36Å; Y472-L484 WeakPolarHBondContact O-CD1 3.48Å
485	C	68.8	Low	58.9	Low	14 Å²	14	73 Å²	73	10%	0.095	38%	0.381	C	S	.	.			trans	-107.3	-16.5	-170.5	-63.6	0	0	0	0	113.7	L471 Y472 L623	L471-C485 HydrophobicContact CD2-CB 4.26Å; L471-C485 HydrophobicContact CG-CB 3.89Å; L471-C485 VanDerWaalsContact O-CB 3.24Å; L471-C485 WeakPolarHBondContact O-CB 3.32Å; Y472-C485 PolarHBondContact O-N 3.3Å; C485-L623 HydrophobicContact CB-CD1 4.22Å
486	D	64.4	Low	56.2	Low	16 Å²	16	80.9 Å²	80.9	9%	0.086	42%	0.423	C	S	.	.			trans	-97.9	103.3	174.7	-163.6	-0.4	0	0	0	110.6	V470 K796	V470-D486 HydrophobicContact CG1-CB 4.23Å; D486-K796 IonicContact OD2-NZ 3.71Å; D486-K796 PolarHBondContact OD2-NZ 3.46Å
487	T	49.7	Very low	53.4	Low	60 Å²	60	88.2 Å²	88.2	37%	0.368	46%	0.462	S	S	.	.			trans	-96.6	-4	-174.2	49.3	0	0	0	0	114.2	T489 T490	T487-T489 VanDerWaalsContact C-N 3.25Å; T487-T489 PolarHBondContact O-N 2.66Å; T487-T490 PolarHBondContact O-N 3.31Å
488	Y	44.7	Very low	50.8	Low	168 Å²	168	96.9 Å²	96.9	66%	0.659	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-13.8	-173.7	-79	-81.7	0	0	0	114.7
489	T	37.8	Very low	48.5	Very low	92 Å²	92	99.6 Å²	99.6	56%	0.564	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-13.8	175.8	45.4	0	0	0	0	114.1	T487	T487-T489 VanDerWaalsContact C-N 3.25Å; T487-T489 PolarHBondContact O-N 2.66Å
490	T	30.7	Very low	46.2	Very low	77 Å²	77	99.9 Å²	99.9	47%	0.472	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-20.9	-168.8	-32.4	0	0	0	0	114.2	T487	T487-T490 PolarHBondContact O-N 3.31Å
491	Y	30.6	Very low	44.1	Very low	171 Å²	171	105.8 Å²	105.8	67%	0.671	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-4.4	-169.4	-79.8	-80.6	0	0	0	116
492	N	30.6	Very low	41.8	Very low	148 Å²	148	110.6 Å²	110.6	79%	0.791	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.3	12.3	-176	-74.4	-13.5	0	0	0	114.5
493	T	30.1	Very low	39.4	Very low	97 Å²	97	113.6 Å²	113.6	60%	0.595	60%	0.598	S	S	*	*	S	Bend	trans	-131	19.7	-168.1	53.1	0	0	0	0	115.5
494	T	30.6	Very low	37.2	Very low	120 Å²	120	118.8 Å²	118.8	74%	0.736	63%	0.632	S	S	*	*	S	Bend	trans	-120.7	19.7	-176.3	58	0	0	0	0	115.1
495	T	33	Very low	35	Very low	119 Å²	119	120.9 Å²	120.9	73%	0.73	65%	0.647	S	S	*	*	S	Bend	trans	-136.1	99.1	166.8	51.6	0	0	0	0	108.4
496	D	30.7	Very low	33.1	Very low	165 Å²	165	126.7 Å²	126.7	88%	0.882	68%	0.678	S	S	*	*			trans	156.9	59.7	154.8	-78.5	-9.8	0	0	0	110.5
497	N	28	Very low	31.4	Very low	157 Å²	157	133.2 Å²	133.2	84%	0.84	71%	0.712	S	S	*	*			trans	-92.7	101.8	164.8	-83.5	-30.6	0	0	0	108.5
498	H	30.2	Very low	30.5	Very low	182 Å²	182	136 Å²	136	84%	0.843	73%	0.732	S	S	*	*			trans	176.7	93.9	142.9	-93.6	-60.7	0	0	0	110.8
499	T	29.6	Very low	29.7	Very low	135 Å²	135	134.5 Å²	134.5	83%	0.828	74%	0.74	S	S	*	*			trans	174.5	112.3	130	27.5	0	0	0	0	110.3
500	T	27.4	Very low	29.4	Very low	110 Å²	110	136.4 Å²	136.4	68%	0.675	75%	0.752	S	S	*	*			trans	-54.1	147.2	150.4	39.6	0	0	0	0	110
501	Y	28.8	Very low	29.3	Very low	212 Å²	212	143 Å²	143	83%	0.831	77%	0.769	S	S	*	*				-168.5	155.6	120.3	-92	-54.7	0	0	0	113.9
502	N	26.9	Very low	29.1	Very low	140 Å²	140	142.2 Å²	142.2	75%	0.749	78%	0.777	S	S	*	*			trans	-72.6	157.3	-168.8	-61.3	-38.8	0	0	0	114.4
503	T	26.9	Very low	28.9	Very low	120 Å²	120	140.9 Å²	140.9	74%	0.736	77%	0.774	S	S	*	*			trans	-1.5	151.7	145.3	59	0	0	0	0	120.9
504	T	27.8	Very low	28.7	Very low	124 Å²	124	141.9 Å²	141.9	76%	0.761	78%	0.781	S	S	*	*			trans	91.6	133.8	156.5	57.7	0	0	0	0	120.4
505	T	28.5	Very low	28.5	Very low	111 Å²	111	141.5 Å²	141.5	68%	0.681	78%	0.778	S	S	*	*			trans	66.6	114	150	47.9	0	0	0	0	121.6
506	D	28.7	Very low	28.1	Very low	137 Å²	137	142.4 Å²	142.4	73%	0.733	78%	0.778	S	S	*	*				82	123	123.1	-55.2	-11.5	0	0	0	123.4
507	N	27.5	Very low	27.9	Very low	152 Å²	152	141.1 Å²	141.1	81%	0.813	77%	0.772	S	S	*	*			trans	73.3	127	148.8	-66.3	-22.3	0	0	0	121.4
508	P	31.8	Very low	27.8	Very low	120 Å²	120	143 Å²	143	78%	0.779	78%	0.775	S	S	*	*			trans	-105.4	123.1	178.2	37.2	-28.4	0	0	0	113.4
509	T	28.3	Very low	27.6	Very low	136 Å²	136	140 Å²	140	83%	0.834	77%	0.769	S	S	*	*			trans	-152.6	119.2	156.9	44.4	0	0	0	0	110.6
510	T	30.4	Very low	27.4	Very low	132 Å²	132	140 Å²	140	81%	0.81	76%	0.763	S	S	*	*				163.8	131.1	112.8	-59.4	0	0	0	0	108.8
511	Y	28.2	Very low	27.5	Very low	214 Å²	214	145.3 Å²	145.3	84%	0.839	77%	0.772	S	S	*	*			trans	-74.3	156.7	174.3	-72.1	-102.2	0	0	0	110.7
512	N	27.9	Very low	27.4	Very low	156 Å²	156	141.2 Å²	141.2	83%	0.834	77%	0.765	S	S	*	*				-167.5	144.5	112.8	-91.7	-18.9	0	0	0	113.6
513	T	26.1	Very low	27.5	Very low	119 Å²	119	141.3 Å²	141.3	73%	0.73	77%	0.765	S	S	*	*			trans	-46.3	146.2	166.7	48.5	0	0	0	0	112.5
514	T	26.5	Very low	28	Very low	119 Å²	119	141.2 Å²	141.2	73%	0.73	76%	0.756	S	S	*	*				-167.6	148.2	84.7	34.2	0	0	0	0	114.3
515	T	26.2	Very low	28.4	Very low	111 Å²	111	138.7 Å²	138.7	68%	0.681	74%	0.744	S	S	*	*			trans	50.7	121.4	145.1	58.2	0	0	0	0	122.4
516	D	24.5	Very low	28.5	Very low	138 Å²	138	139.3 Å²	139.3	74%	0.738	74%	0.743	S	S	*	*			trans	84.4	143.8	136.8	-54.8	-16.8	0	0	0	122.4
517	N	25.7	Very low	28.9	Very low	139 Å²	139	138.6 Å²	138.6	74%	0.743	74%	0.739	S	S	*	*			trans	83.1	95.8	162.6	-57.2	-44.3	0	0	0	120.2	T519	N517-T519 PolarHBondContact O-N 3.1Å; N517-T519 VanDerWaalsContact O-N 3.16Å; N517-T519 PolarHBondContact O-OG1 2.93Å
518	H	25.7	Very low	29.4	Very low	197 Å²	197	135.4 Å²	135.4	91%	0.912	72%	0.722	S	S	*	*			trans	14.2	87.4	133.7	-76.9	-80.4	0	0	0	117.5
519	T	25.6	Very low	29.4	Very low	117 Å²	117	131.9 Å²	131.9	72%	0.718	70%	0.7	S	S	*	*			trans	-149.1	115	158.2	31.4	0	0	0	0	113.1	N517	N517-T519 PolarHBondContact O-N 3.1Å; N517-T519 VanDerWaalsContact O-N 3.16Å; N517-T519 PolarHBondContact O-OG1 2.93Å
520	I	26.6	Very low	29.6	Very low	135 Å²	135	130 Å²	130	69%	0.692	69%	0.685	S	S	*	*			trans	29.9	102.1	133.5	-49.6	171.2	0	0	0	116.2	N522	I520-N522 VanDerWaalsContact C-N 3.33Å; I520-N522 PolarHBondContact O-N 3.13Å
521	Y	29	Very low	29.9	Very low	222 Å²	222	130.9 Å²	130.9	87%	0.871	67%	0.674	S	S	*	*			trans	-74.5	84.8	165.3	-102.1	-87.2	0	0	0	111.5	D523	Y521-D523 PolarHBondContact O-N 3.05Å; Y521-D523 VanDerWaalsContact O-N 3.15Å
522	N	27.2	Very low	30.3	Very low	127 Å²	127	125.2 Å²	125.2	68%	0.679	66%	0.657	S	S	*	*			trans	-74.7	86.6	167.1	-88.2	-24.7	0	0	0	110.7	I520	I520-N522 VanDerWaalsContact C-N 3.33Å; I520-N522 PolarHBondContact O-N 3.13Å
523	D	29.4	Very low	30.5	Very low	142 Å²	142	122.2 Å²	122.2	76%	0.759	64%	0.641	S	S	*	*			trans	-103	16.6	172.1	-122.1	-3.5	0	0	0	112.7	Y521	Y521-D523 PolarHBondContact O-N 3.05Å; Y521-D523 VanDerWaalsContact O-N 3.15Å
524	H	36.8	Very low	30.9	Very low	118 Å²	118	122 Å²	122	55%	0.546	64%	0.635	S	S	.	*	S	Bend	trans	-107.6	-5.7	-171.9	-88.4	-70.9	0	0	0	115.8
525	S	35.1	Very low	31.2	Very low	71 Å²	71	120.6 Å²	120.6	50%	0.497	62%	0.622	S	S	.	*	S	Bend	trans	-82.8	-28.5	-173.1	51	0	0	0	0	115.6	S529	S525-S529 PolarHBondContact O-OG 2.89Å
526	N	31.6	Very low	31.6	Very low	123 Å²	123	118.2 Å²	118.2	66%	0.658	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-6.2	-163.3	-76	-21.9	0	0	0	116.7	S529 N530	N526-S529 PolarHBondContact O-OG 3.34Å; N526-N530 PolarHBondContact O-ND2 3.47Å
527	N	36.9	Very low	32.2	Very low	122 Å²	122	120 Å²	120	65%	0.652	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	-27.3	176	-82.4	-53.1	0	0	0	113.8
528	D	37.6	Very low	32.5	Very low	85 Å²	85	121.2 Å²	121.2	46%	0.455	61%	0.612	S	S	.	*	H	α-helix	trans	-81.4	-28.8	179.8	-68	-37.5	0	0	0	112.3	N530 R531 I532	D528-N530 VanDerWaalsContact C-N 3.33Å; D528-N530 PolarHBondContact O-N 3.34Å; D528-R531 WeakPolarHBondContact O-CB 3.47Å; D528-R531 PolarHBondContact O-N 2.79Å; D528-R531 VanDerWaalsContact O-N 3.08Å; D528-I532 PolarHBondContact O-N 2.72Å
529	S	31.5	Very low	32.8	Very low	46 Å²	46	115.5 Å²	115.5	32%	0.322	59%	0.588	S	S	.	*	H	α-helix	trans	-57.3	-41.4	170.8	56.8	0	0	0	0	113	S525 N526 R531 N533	S525-S529 PolarHBondContact O-OG 2.89Å; N526-S529 PolarHBondContact O-OG 3.34Å; S529-R531 VanDerWaalsContact C-N 3.35Å; S529-N533 WeakPolarHBondContact O-CB 3.31Å; S529-N533 PolarHBondContact O-N 3.44Å; S529-N533 VanDerWaalsContact O-N 3.14Å; S529-N533 PolarHBondContact O-ND2 2.9Å
530	N	33.4	Very low	33.1	Very low	98 Å²	98	114.3 Å²	114.3	52%	0.524	59%	0.585	S	S	.	*	H	α-helix	trans	-69.3	-32.6	174.9	-78.5	-46.3	0	0	0	112.6	N526 D528 L534	N526-N530 PolarHBondContact O-ND2 3.47Å; D528-N530 VanDerWaalsContact C-N 3.33Å; D528-N530 PolarHBondContact O-N 3.34Å; N530-L534 WeakPolarHBondContact O-CB 3.48Å; N530-L534 PolarHBondContact O-N 2.68Å
531	R	37.4	Very low	33.6	Very low	150 Å²	150	115.4 Å²	115.4	57%	0.566	58%	0.582	S	S	*	*	H	α-helix	trans	-71.8	-41.4	-178.7	-139.9	172.7	175.6	-169.5	-8.1	111.7	D528 S529 L535	D528-R531 WeakPolarHBondContact O-CB 3.47Å; D528-R531 PolarHBondContact O-N 2.79Å; D528-R531 VanDerWaalsContact O-N 3.08Å; S529-R531 VanDerWaalsContact C-N 3.35Å; R531-L535 WeakPolarHBondContact O-CB 3.47Å; R531-L535 WeakPolarHBondContact O-CD1 3.22Å; R531-L535 VanDerWaalsContact O-CG 3.31Å; R531-L535 WeakPolarHBondContact O-CG 3.39Å; R531-L535 PolarHBondContact O-N 3.41Å; R531-L535 VanDerWaalsContact O-N 3.07Å
532	I	36.5	Very low	34	Very low	95 Å²	95	109 Å²	109	49%	0.487	56%	0.561	S	S	.	*	H	α-helix	trans	-68.6	-38.1	174.9	-63.5	169.5	0	0	0	110.7	D528 L535 S536	D528-I532 PolarHBondContact O-N 2.72Å; I532-L535 PolarHBondContact O-N 3.48Å; I532-S536 VanDerWaalsContact O-CB 3.29Å; I532-S536 WeakPolarHBondContact O-CB 3.4Å; I532-S536 PolarHBondContact O-N 2.95Å; I532-S536 PolarHBondContact O-OG 3.31Å
533	N	31.5	Very low	34.1	Very low	93 Å²	93	111.9 Å²	111.9	50%	0.497	57%	0.568	S	S	.	*	H	α-helix	trans	-74.9	-20.8	177.7	-80.7	-38	0	0	0	115.6	S529 S536 K537	S529-N533 WeakPolarHBondContact O-CB 3.31Å; S529-N533 PolarHBondContact O-N 3.44Å; S529-N533 VanDerWaalsContact O-N 3.14Å; S529-N533 PolarHBondContact O-ND2 2.9Å; N533-S536 WeakPolarHBondContact CA-OG 3.24Å; N533-S536 PolarHBondContact O-OG 2.8Å; N533-K537 WeakPolarHBondContact O-CG 3.42Å
534	L	34.6	Very low	34.4	Very low	115 Å²	115	114 Å²	114	60%	0.602	57%	0.566	S	S	*	*	H	α-helix	trans	-80.8	-42.8	168.6	-85.8	157.1	0	0	0	111.2	N530 S536 K537	N530-L534 WeakPolarHBondContact O-CB 3.48Å; N530-L534 PolarHBondContact O-N 2.68Å; L534-S536 VanDerWaalsContact C-N 3.31Å; L534-S536 PolarHBondContact O-N 3.12Å; L534-K537 PolarHBondContact O-N 3.3Å
535	L	33.4	Very low	34.3	Very low	89 Å²	89	113.8 Å²	113.8	47%	0.466	57%	0.569	S	S	.	*	H	α-helix	trans	-64.5	-33	175.2	-72.8	166.8	0	0	0	112.7	R531 I532 N539 I542	R531-L535 WeakPolarHBondContact O-CB 3.47Å; R531-L535 WeakPolarHBondContact O-CD1 3.22Å; R531-L535 VanDerWaalsContact O-CG 3.31Å; R531-L535 WeakPolarHBondContact O-CG 3.39Å; R531-L535 PolarHBondContact O-N 3.41Å; R531-L535 VanDerWaalsContact O-N 3.07Å; I532-L535 PolarHBondContact O-N 3.48Å; L535-N539 WeakPolarHBondContact CD2-ND2 3.31Å; L535-N539 WeakPolarHBondContact O-CB 3.36Å; L535-N539 PolarHBondContact O-N 3.3Å; L535-I542 WeakPolarHBondContact O-CD1 3.33Å
536	S	34.5	Very low	34.6	Very low	60 Å²	60	116.7 Å²	116.7	42%	0.42	57%	0.573	S	S	.	*	H	α-helix	trans	-76.2	-16.2	178.8	69.9	0	0	0	0	114.9	I532 N533 L534	I532-S536 VanDerWaalsContact O-CB 3.29Å; I532-S536 WeakPolarHBondContact O-CB 3.4Å; I532-S536 PolarHBondContact O-N 2.95Å; I532-S536 PolarHBondContact O-OG 3.31Å; N533-S536 WeakPolarHBondContact CA-OG 3.24Å; N533-S536 PolarHBondContact O-OG 2.8Å; L534-S536 VanDerWaalsContact C-N 3.31Å; L534-S536 PolarHBondContact O-N 3.12Å
537	K	36	Very low	35.3	Very low	176 Å²	176	116.9 Å²	116.9	77%	0.765	57%	0.573	S	S	*	*	H	α-helix	trans	-99	-18.5	-178.2	-78.1	-177.2	175.5	179	0	115	N533 L534	N533-K537 WeakPolarHBondContact O-CG 3.42Å; L534-K537 PolarHBondContact O-N 3.3Å
538	E	33.2	Very low	36	Very low	164 Å²	164	113.1 Å²	113.1	77%	0.766	56%	0.555	S	S	*	*	H	α-helix	trans	-120.1	-13.2	-176.4	-65	-172	155.2	0	0	115.1
539	N	31.2	Very low	36.7	Very low	77 Å²	77	114.9 Å²	114.9	41%	0.412	57%	0.565	S	S	.	*			trans	-107.3	117.6	-179	-73.7	-39.1	0	0	0	113.8	L535 Y541	L535-N539 WeakPolarHBondContact CD2-ND2 3.31Å; L535-N539 WeakPolarHBondContact O-CB 3.36Å; L535-N539 PolarHBondContact O-N 3.3Å; N539-Y541 HydrophobicContact CB-CD2 4.36Å; N539-Y541 PolarHBondContact O-N 2.88Å; N539-Y541 VanDerWaalsContact O-N 3.11Å
540	S	32.6	Very low	37.8	Very low	93 Å²	93	115.5 Å²	115.5	65%	0.65	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-0.9	-179.5	47.8	0	0	0	0	115.8
541	Y	36.6	Very low	39.3	Very low	158 Å²	158	112.9 Å²	112.9	62%	0.62	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-12.9	-170.7	-53.8	-74.7	0	0	0	114.9	N539 K543	N539-Y541 HydrophobicContact CB-CD2 4.36Å; N539-Y541 PolarHBondContact O-N 2.88Å; N539-Y541 VanDerWaalsContact O-N 3.11Å; Y541-K543 PolarHBondContact O-N 3.49Å; Y541-K543 VanDerWaalsContact O-N 3.1Å
542	I	36.2	Very low	41.2	Very low	87 Å²	87	113.8 Å²	113.8	45%	0.446	56%	0.557	S	S	.	*	G	3₁₀ helix	trans	-70	-7.8	-175.9	-69.9	164.9	0	0	0	112.8	L535 Y544 L545	L535-I542 WeakPolarHBondContact O-CD1 3.33Å; I542-Y544 PolarHBondContact O-N 2.89Å; I542-Y544 VanDerWaalsContact O-N 3.15Å; I542-L545 HydrophobicContact CB-CD1 4.48Å; I542-L545 HydrophobicContact CG2-CD1 4.19Å; I542-L545 WeakPolarHBondContact O-CD1 3.49Å
543	K	30.1	Very low	43.2	Very low	188 Å²	188	111.2 Å²	111.2	82%	0.817	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-74.4	1.8	-176.9	-139.5	175.1	-174.7	179.1	0	115.5	Y541	Y541-K543 PolarHBondContact O-N 3.49Å; Y541-K543 VanDerWaalsContact O-N 3.1Å
544	Y	35.6	Very low	45.5	Very low	185 Å²	185	107 Å²	107	73%	0.725	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-129.1	17.2	-173	-60	-77.9	0	0	0	115	I542 K546	I542-Y544 PolarHBondContact O-N 2.89Å; I542-Y544 VanDerWaalsContact O-N 3.15Å; Y544-K546 PolarHBondContact O-N 3.17Å; Y544-K546 VanDerWaalsContact O-N 3.16Å
545	L	35.4	Very low	47.8	Very low	115 Å²	115	104.3 Å²	104.3	60%	0.602	50%	0.503	S	S	*	.			trans	-66.4	114	172.4	-84.9	87.1	0	0	0	110.9	I542	I542-L545 HydrophobicContact CB-CD1 4.48Å; I542-L545 HydrophobicContact CG2-CD1 4.19Å; I542-L545 WeakPolarHBondContact O-CD1 3.49Å
546	K	40.1	Very low	50.3	Low	132 Å²	132	102.7 Å²	102.7	57%	0.574	49%	0.493	S	S	*	.			trans	-104	132.2	165.8	-70.3	179	-177.9	171	0	110.1	E481 Y544	E481-K546 IonicContact OE1-NZ 2.67Å; E481-K546 PolarHBondContact OE1-NZ 2.85Å; Y544-K546 PolarHBondContact O-N 3.17Å; Y544-K546 VanDerWaalsContact O-N 3.16Å
547	L	47.8	Very low	52.8	Low	127 Å²	127	99.8 Å²	99.8	67%	0.665	47%	0.473	S	S	*	.			trans	-64.5	156.8	162.3	-74.8	149.6	0	0	0	109.6	D549	L547-D549 PolarHBondContact O-N 2.97Å
548	P	51.5	Low	55.2	Low	42 Å²	42	91.4 Å²	91.4	27%	0.273	44%	0.437	S	S	.	.			trans	-77.6	56.3	-172.2	33	-37.3	0	0	0	113.8	M550 F554	P548-M550 HydrophobicContact CB-CE 4.38Å; P548-M550 PolarHBondContact O-N 2.96Å; P548-F554 HydrophobicContact CB-CE1 4.23Å
549	D	51.2	Low	57.9	Low	123 Å²	123	84 Å²	84	66%	0.658	40%	0.403	S	S	*	.			trans	-65.6	118.3	155	-84.5	-28.9	0	0	0	107.8	L547 N551	L547-D549 PolarHBondContact O-N 2.97Å; D549-N551 PolarHBondContact O-N 3.23Å
550	M	54.5	Low	60.8	Low	59 Å²	59	80.3 Å²	80.3	29%	0.291	38%	0.383	S	S	.	.			trans	-68.1	78.4	-155.7	-79.2	-92.3	130	0	0	114.9	P548 K552 F554 R555 L558	P548-M550 HydrophobicContact CB-CE 4.38Å; P548-M550 PolarHBondContact O-N 2.96Å; M550-K552 PolarHBondContact O-N 3.37Å; M550-F554 HydrophobicContact CE-CD1 4.16Å; M550-F554 HydrophobicContact CE-CE1 4.39Å; M550-R555 HydrophobicContact SD-CB 4.08Å; M550-R555 HydrophobicContact SD-CG 4.38Å; M550-R555 PolarHBondContact SD-NE 3.37Å; M550-R555 VanDerWaalsContact SD-NE 3.43Å; M550-R555 PolarHBondContact SD-NH2 3.36Å; M550-L558 HydrophobicContact CE-CD1 4.32Å
551	N	65.6	Low	63.6	Low	42 Å²	42	76 Å²	76	23%	0.225	35%	0.352	C	S	.	.			trans	-53	129.5	162.5	-175.4	7.1	0	0	0	109.2	E481 Y483 D549 D553 F554 R555	E481-N551 PolarHBondContact OE2-ND2 3.46Å; E481-N551 VanDerWaalsContact OE2-ND2 3.12Å; Y483-N551 PolarHBondContact OH-ND2 3.26Å; D549-N551 PolarHBondContact O-N 3.23Å; N551-D553 PolarHBondContact O-N 3.4Å; N551-F554 HydrophobicContact CB-CB 4.24Å; N551-F554 PolarHBondContact O-N 2.62Å; N551-R555 PolarHBondContact O-N 3.01Å; N551-R555 VanDerWaalsContact O-N 3.08Å
552	K	76.1	Confident	66.2	Low	170 Å²	170	68.4 Å²	68.4	74%	0.739	32%	0.323	S	S	*	.	H	α-helix	trans	-53.3	-43.1	-175.2	-175.4	179.2	176.6	-176.2	0	111.6	M550 F554 R555 E556	M550-K552 PolarHBondContact O-N 3.37Å; K552-F554 VanDerWaalsContact C-N 3.3Å; K552-F554 PolarHBondContact O-N 3.12Å; K552-R555 PolarHBondContact O-N 3.39Å; K552-E556 PolarHBondContact O-N 3Å
553	D	79.5	Confident	68.8	Low	41 Å²	41	64.3 Å²	64.3	22%	0.219	30%	0.302	C	S	.	.	H	α-helix	trans	-66.8	-29	-179.8	-46.8	-2	0	0	0	112.6	L476 K479 N551 F557 Y789	L476-D553 HydrophobicContact CD2-CB 3.85Å; K479-D553 WeakPolarHBondContact CD-OD2 3.45Å; K479-D553 WeakPolarHBondContact CE-OD2 3.46Å; K479-D553 IonicContact NZ-OD1 2.72Å; K479-D553 IonicContact NZ-OD2 4Å; K479-D553 PolarHBondContact NZ-OD2 2.64Å; N551-D553 PolarHBondContact O-N 3.4Å; D553-F557 PolarHBondContact O-N 3.34Å; D553-F557 VanDerWaalsContact O-N 3.14Å; D553-Y789 PolarHBondContact O-OH 3.11Å
554	F	80.1	Confident	71.8	Confident	5 Å²	5	55.4 Å²	55.4	2%	0.022	26%	0.263	C	S	.	.	H	α-helix	trans	-79	-34.4	176	-172.6	-110.1	0	0	0	111.3	Y483 P548 M550 N551 K552 E556 F557 L558 L623	Y483-F554 HydrophobicContact CD1-CD2 4.01Å; Y483-F554 AromaticContact CD1-CE2 3.92Å; Y483-F554 HydrophobicContact CD1-CE2 3.92Å; Y483-F554 HydrophobicContact CD1-CG 4.42Å; Y483-F554 HydrophobicContact CD1-CZ 4.23Å; Y483-F554 AromaticContact CD2-CD2 3.7Å; Y483-F554 HydrophobicContact CD2-CD2 3.7Å; Y483-F554 AromaticContact CD2-CE2 3.8Å; Y483-F554 HydrophobicContact CD2-CE2 3.8Å; Y483-F554 HydrophobicContact CE1-CD2 4.06Å; Y483-F554 HydrophobicContact CE1-CE2 4.42Å; Y483-F554 HydrophobicContact CE1-CG 4.16Å; Y483-F554 AromaticContact CE2-CD2 3.75Å; Y483-F554 HydrophobicContact CE2-CD2 3.75Å; Y483-F554 HydrophobicContact CE2-CE2 4.31Å; Y483-F554 HydrophobicContact CE2-CG 4.4Å; Y483-F554 AromaticContact CG-CD2 3.83Å; Y483-F554 HydrophobicContact CG-CD2 3.83Å; Y483-F554 AromaticContact CG-CE2 3.57Å; Y483-F554 HydrophobicContact CG-CE2 3.57Å; Y483-F554 HydrophobicContact CG-CZ 4.2Å; Y483-F554 AromaticContact CZ-CD2 3.92Å; P548-F554 HydrophobicContact CB-CE1 4.23Å; M550-F554 HydrophobicContact CE-CD1 4.16Å; M550-F554 HydrophobicContact CE-CE1 4.39Å; N551-F554 HydrophobicContact CB-CB 4.24Å; N551-F554 PolarHBondContact O-N 2.62Å; K552-F554 VanDerWaalsContact C-N 3.3Å; K552-F554 PolarHBondContact O-N 3.12Å; F554-E556 VanDerWaalsContact C-N 3.35Å; F554-F557 HydrophobicContact CD2-CD1 4.08Å; F554-F557 AromaticContact CE2-CD1 3.88Å; F554-F557 HydrophobicContact CE2-CD1 3.88Å; F554-F557 HydrophobicContact CE2-CE1 4.28Å; F554-F557 WeakPolarHBondContact O-CB 3.39Å; F554-F557 PolarHBondContact O-N 3.29Å; F554-L558 HydrophobicContact CD1-CD1 4.26Å; F554-L558 HydrophobicContact CE1-CD1 3.88Å; F554-L558 HydrophobicContact CE1-CG 4.38Å; F554-L558 HydrophobicContact CZ-CD1 4.37Å; F554-L558 HydrophobicContact CZ-CD2 4.36Å; F554-L558 WeakPolarHBondContact O-CG 3.43Å; F554-L558 PolarHBondContact O-N 2.92Å; F554-L623 HydrophobicContact CE1-CD1 4.46Å; F554-L623 HydrophobicContact CZ-CD1 4.05Å
555	R	82.2	Confident	74.4	Confident	57 Å²	57	47.2 Å²	47.2	22%	0.215	23%	0.231	C	C	.	.	H	α-helix	trans	-66.6	-37.6	170	-175.6	177.1	-69.7	-129	-6.5	112	M550 N551 K552 L558 T559 Y646	M550-R555 HydrophobicContact SD-CB 4.08Å; M550-R555 HydrophobicContact SD-CG 4.38Å; M550-R555 PolarHBondContact SD-NE 3.37Å; M550-R555 VanDerWaalsContact SD-NE 3.43Å; M550-R555 PolarHBondContact SD-NH2 3.36Å; N551-R555 PolarHBondContact O-N 3.01Å; N551-R555 VanDerWaalsContact O-N 3.08Å; K552-R555 PolarHBondContact O-N 3.39Å; R555-L558 PolarHBondContact O-N 3.45Å; R555-T559 WeakPolarHBondContact O-CB 3.42Å; R555-T559 PolarHBondContact O-N 3.22Å; R555-T559 PolarHBondContact O-OG1 3.01Å; R555-Y646 HydrophobicContact CG-CD1 4.2Å; R555-Y646 HydrophobicContact CG-CE1 4.03Å
556	E	86.9	Confident	76.8	Confident	55 Å²	55	43.6 Å²	43.6	26%	0.257	21%	0.214	S	C	.	.	H	α-helix	trans	-60.8	-45.1	173.9	-168.4	-172	150.4	0	0	111.1	K552 F554 L558 T559 I560 K744	K552-E556 PolarHBondContact O-N 3Å; F554-E556 VanDerWaalsContact C-N 3.35Å; E556-L558 PolarHBondContact O-N 2.94Å; E556-T559 WeakPolarHBondContact O-CB 3.42Å; E556-T559 PolarHBondContact O-N 3.36Å; E556-T559 VanDerWaalsContact O-N 3.17Å; E556-I560 HydrophobicContact CG-CD1 4.09Å; E556-I560 WeakPolarHBondContact O-CG1 3.38Å; E556-I560 PolarHBondContact O-N 3.42Å; E556-K744 IonicContact OE1-NZ 3.8Å; E556-K744 PolarHBondContact OE1-NZ 2.83Å; E556-K744 IonicContact OE2-NZ 3.07Å
557	F	86.5	Confident	79	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-53.1	-52.7	174	171.1	-123.5	0	0	0	113.4	C474 D553 F554 T559 I560 I561 Y789 T791	C474-F557 HydrophobicContact CB-CE1 3.74Å; C474-F557 HydrophobicContact CB-CE2 4.5Å; C474-F557 HydrophobicContact CB-CZ 3.56Å; C474-F557 WeakPolarHBondContact SG-CE1 3.47Å; D553-F557 PolarHBondContact O-N 3.34Å; D553-F557 VanDerWaalsContact O-N 3.14Å; F554-F557 HydrophobicContact CD2-CD1 4.08Å; F554-F557 AromaticContact CE2-CD1 3.88Å; F554-F557 HydrophobicContact CE2-CD1 3.88Å; F554-F557 HydrophobicContact CE2-CE1 4.28Å; F554-F557 WeakPolarHBondContact O-CB 3.39Å; F554-F557 PolarHBondContact O-N 3.29Å; F557-T559 PolarHBondContact O-N 2.88Å; F557-I560 PolarHBondContact O-N 3.03Å; F557-I560 VanDerWaalsContact O-N 3.13Å; F557-I561 HydrophobicContact CD1-CD1 4.35Å; F557-I561 HydrophobicContact CD2-CD1 4.15Å; F557-I561 HydrophobicContact CE1-CD1 3.7Å; F557-I561 HydrophobicContact CE2-CD1 3.49Å; F557-I561 VanDerWaalsContact CE2-CD1 3.49Å; F557-I561 HydrophobicContact CE2-CG1 4.08Å; F557-I561 HydrophobicContact CZ-CD1 3.24Å; F557-I561 HydrophobicContact CZ-CG1 4.3Å; F557-I561 PolarHBondContact O-N 2.87Å; F557-Y789 HydrophobicContact CB-CD1 3.98Å; F557-Y789 HydrophobicContact CB-CD2 4.24Å; F557-Y789 HydrophobicContact CB-CE1 3.51Å; F557-Y789 HydrophobicContact CB-CE2 3.83Å; F557-Y789 HydrophobicContact CB-CG 4.35Å; F557-Y789 VanDerWaalsContact CB-CZ 3.47Å; F557-Y789 AromaticContact CD2-CD1 3.59Å; F557-Y789 HydrophobicContact CD2-CD1 3.59Å; F557-Y789 AromaticContact CD2-CD2 3.43Å; F557-Y789 HydrophobicContact CD2-CD2 3.43Å; F557-Y789 VanDerWaalsContact CD2-CD2 3.43Å; F557-Y789 HydrophobicContact CD2-CE1 4.03Å; F557-Y789 AromaticContact CD2-CE2 3.91Å; F557-Y789 HydrophobicContact CD2-CE2 3.91Å; F557-Y789 AromaticContact CD2-CG 3.31Å; F557-Y789 HydrophobicContact CD2-CG 3.31Å; F557-Y789 HydrophobicContact CE2-CD1 4.24Å; F557-Y789 HydrophobicContact CE2-CD2 4.22Å; F557-Y789 AromaticContact CE2-CG 3.82Å; F557-Y789 HydrophobicContact CE2-CG 3.82Å; F557-Y789 AromaticContact CG-CD1 3.83Å; F557-Y789 HydrophobicContact CG-CD1 3.83Å; F557-Y789 HydrophobicContact CG-CD2 4.21Å; F557-Y789 AromaticContact CG-CE1 3.89Å; F557-Y789 HydrophobicContact CG-CE1 3.89Å; F557-Y789 HydrophobicContact CG-CE2 4.3Å; F557-Y789 HydrophobicContact CG-CG 4.02Å; F557-T791 HydrophobicContact CE2-CG2 3.6Å; F557-T791 HydrophobicContact CZ-CG2 3.5Å
558	L	86.7	Confident	80.7	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.9	-32.8	-179.4	-61.5	179.2	0	0	0	111.5	M550 F554 R555 E556 I561 T562 A620 L623 V625	M550-L558 HydrophobicContact CE-CD1 4.32Å; F554-L558 HydrophobicContact CD1-CD1 4.26Å; F554-L558 HydrophobicContact CE1-CD1 3.88Å; F554-L558 HydrophobicContact CE1-CG 4.38Å; F554-L558 HydrophobicContact CZ-CD1 4.37Å; F554-L558 HydrophobicContact CZ-CD2 4.36Å; F554-L558 WeakPolarHBondContact O-CG 3.43Å; F554-L558 PolarHBondContact O-N 2.92Å; R555-L558 PolarHBondContact O-N 3.45Å; E556-L558 PolarHBondContact O-N 2.94Å; L558-I561 WeakPolarHBondContact O-CB 3.32Å; L558-I561 PolarHBondContact O-N 2.82Å; L558-T562 PolarHBondContact O-N 2.81Å; L558-T562 VanDerWaalsContact O-N 3.08Å; L558-T562 PolarHBondContact O-OG1 3.22Å; L558-T562 VanDerWaalsContact O-OG1 3.08Å; L558-A620 HydrophobicContact CB-CB 4.24Å; L558-A620 HydrophobicContact CD2-CB 4.23Å; L558-L623 HydrophobicContact CD1-CB 3.6Å; L558-L623 HydrophobicContact CD1-CD1 4.29Å; L558-L623 HydrophobicContact CD2-CB 4.43Å; L558-L623 HydrophobicContact CD2-CD1 3.82Å; L558-V625 HydrophobicContact CB-CB 3.93Å; L558-V625 HydrophobicContact CB-CG1 4.46Å; L558-V625 HydrophobicContact CB-CG2 3.64Å; L558-V625 HydrophobicContact CD1-CG2 4.02Å
559	T	90.1	Very high	82	Confident	7 Å²	7	35 Å²	35	4%	0.043	17%	0.17	C	C	.	.	H	α-helix	trans	-67.7	-42.2	172.4	-53.3	0	0	0	0	112	R555 E556 F557 I561 T562 L563 I644 Y646 Y671	R555-T559 WeakPolarHBondContact O-CB 3.42Å; R555-T559 PolarHBondContact O-N 3.22Å; R555-T559 PolarHBondContact O-OG1 3.01Å; E556-T559 WeakPolarHBondContact O-CB 3.42Å; E556-T559 PolarHBondContact O-N 3.36Å; E556-T559 VanDerWaalsContact O-N 3.17Å; F557-T559 PolarHBondContact O-N 2.88Å; T559-I561 VanDerWaalsContact C-N 3.28Å; T559-I561 PolarHBondContact O-N 3.12Å; T559-T562 WeakPolarHBondContact CA-OG1 3.4Å; T559-T562 CarbonylContact O-C 3.58Å; T559-T562 PolarHBondContact O-N 2.95Å; T559-T562 PolarHBondContact O-OG1 3.37Å; T559-L563 HydrophobicContact CG2-CD1 3.9Å; T559-L563 HydrophobicContact CG2-CG 4.42Å; T559-L563 VanDerWaalsContact O-CG 3.27Å; T559-L563 WeakPolarHBondContact O-CG 3.21Å; T559-L563 PolarHBondContact O-N 3.31Å; T559-I644 HydrophobicContact CG2-CD1 4.4Å; T559-Y646 WeakPolarHBondContact CG2-OH 3.48Å; T559-Y646 WeakPolarHBondContact OG1-CE1 3.23Å; T559-Y646 PolarHBondContact OG1-OH 2.76Å; T559-Y671 HydrophobicContact CG2-CE1 4.36Å; T559-Y671 HydrophobicContact CG2-CE2 4.35Å; T559-Y671 WeakPolarHBondContact CG2-OH 3.4Å
560	I	91.6	Very high	82.7	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.1	-37.1	176.1	-70.6	167.9	0	0	0	110.8	E556 F557 L563 C564 L700 F742 I788 Y789	E556-I560 HydrophobicContact CG-CD1 4.09Å; E556-I560 WeakPolarHBondContact O-CG1 3.38Å; E556-I560 PolarHBondContact O-N 3.42Å; F557-I560 PolarHBondContact O-N 3.03Å; F557-I560 VanDerWaalsContact O-N 3.13Å; I560-L563 PolarHBondContact O-N 3.05Å; I560-C564 WeakPolarHBondContact O-CB 3.22Å; I560-C564 PolarHBondContact O-N 2.85Å; I560-L700 HydrophobicContact CG1-CD1 4.46Å; I560-L700 HydrophobicContact CG1-CD2 4.15Å; I560-L700 HydrophobicContact CG2-CD1 4.4Å; I560-L700 HydrophobicContact CG2-CD2 4.34Å; I560-F742 HydrophobicContact CG2-CD1 3.81Å; I560-F742 HydrophobicContact CG2-CE1 4.42Å; I560-I788 HydrophobicContact CD1-CD1 3.79Å; I560-Y789 HydrophobicContact CD1-CE2 4.29Å
561	I	90.7	Very high	82.8	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-60.3	-48.2	171.5	-81.7	170.7	0	0	0	111.7	L471 F557 L558 T559 L563 L616 A620 F742	L471-I561 HydrophobicContact CD2-CD1 4.4Å; F557-I561 HydrophobicContact CD1-CD1 4.35Å; F557-I561 HydrophobicContact CD2-CD1 4.15Å; F557-I561 HydrophobicContact CE1-CD1 3.7Å; F557-I561 HydrophobicContact CE2-CD1 3.49Å; F557-I561 VanDerWaalsContact CE2-CD1 3.49Å; F557-I561 HydrophobicContact CE2-CG1 4.08Å; F557-I561 HydrophobicContact CZ-CD1 3.24Å; F557-I561 HydrophobicContact CZ-CG1 4.3Å; F557-I561 PolarHBondContact O-N 2.87Å; L558-I561 WeakPolarHBondContact O-CB 3.32Å; L558-I561 PolarHBondContact O-N 2.82Å; T559-I561 VanDerWaalsContact C-N 3.28Å; T559-I561 PolarHBondContact O-N 3.12Å; I561-L563 PolarHBondContact O-N 2.89Å; I561-L616 HydrophobicContact CD1-CD2 3.85Å; I561-L616 HydrophobicContact CG1-CD2 4.23Å; I561-L616 HydrophobicContact CG2-CB 3.81Å; I561-L616 WeakPolarHBondContact CG2-O 3.45Å; I561-A620 HydrophobicContact CG2-CB 3.94Å; I561-F742 HydrophobicContact CG1-CE1 4.04Å; I561-F742 HydrophobicContact CG1-CE2 4.45Å; I561-F742 HydrophobicContact CG1-CZ 3.81Å
562	T	91.2	Very high	81.9	Confident	0 Å²	0	38 Å²	38	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-78.8	2.4	-178.6	52.5	0	0	0	0	114.5	L558 T559 H565 A620 V625 I644	L558-T562 PolarHBondContact O-N 2.81Å; L558-T562 VanDerWaalsContact O-N 3.08Å; L558-T562 PolarHBondContact O-OG1 3.22Å; L558-T562 VanDerWaalsContact O-OG1 3.08Å; T559-T562 WeakPolarHBondContact CA-OG1 3.4Å; T559-T562 CarbonylContact O-C 3.58Å; T559-T562 PolarHBondContact O-N 2.95Å; T559-T562 PolarHBondContact O-OG1 3.37Å; T562-H565 VanDerWaalsContact C-CD2 3.49Å; T562-H565 PolarHBondContact O-CD2 2.64Å; T562-H565 PolarHBondContact O-NE2 2.7Å; T562-H565 VanDerWaalsContact O-NE2 3.08Å; T562-A620 HydrophobicContact CG2-CB 3.64Å; T562-V625 HydrophobicContact CG2-CG1 4.21Å; T562-I644 WeakPolarHBondContact OG1-CD1 3.38Å
563	L	92.5	Very high	80.2	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-108.3	-37.9	170.9	-69.8	171.5	0	0	0	112.8	T559 I560 I561 H565 I644 Y671 V690 Y692 L700	T559-L563 HydrophobicContact CG2-CD1 3.9Å; T559-L563 HydrophobicContact CG2-CG 4.42Å; T559-L563 VanDerWaalsContact O-CG 3.27Å; T559-L563 WeakPolarHBondContact O-CG 3.21Å; T559-L563 PolarHBondContact O-N 3.31Å; I560-L563 PolarHBondContact O-N 3.05Å; I561-L563 PolarHBondContact O-N 2.89Å; L563-H565 PolarHBondContact O-N 2.86Å; L563-H565 VanDerWaalsContact O-N 3.14Å; L563-I644 HydrophobicContact CD2-CD1 3.66Å; L563-I644 HydrophobicContact CG-CD1 3.9Å; L563-Y671 HydrophobicContact CD1-CD1 3.69Å; L563-Y671 HydrophobicContact CD1-CE1 3.8Å; L563-Y671 HydrophobicContact CD1-CG 4.23Å; L563-Y671 HydrophobicContact CD2-CD1 3.84Å; L563-Y671 HydrophobicContact CD2-CD2 4.01Å; L563-Y671 HydrophobicContact CD2-CG 3.53Å; L563-Y671 HydrophobicContact CG-CD1 4.4Å; L563-Y671 HydrophobicContact CG-CG 4.47Å; L563-V690 HydrophobicContact CD1-CG1 4.42Å; L563-V690 HydrophobicContact CD2-CG1 4.34Å; L563-Y692 HydrophobicContact CD1-CE2 3.78Å; L563-L700 HydrophobicContact CB-CD1 3.73Å; L563-L700 HydrophobicContact CD1-CD1 4Å
564	C	91.5	Very high	78.3	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-89.6	67.3	-175.9	-166.4	0	0	0	0	111	I560 L700 K702	I560-C564 WeakPolarHBondContact O-CB 3.22Å; I560-C564 PolarHBondContact O-N 2.85Å; C564-L700 HydrophobicContact CB-CB 4.24Å; C564-K702 WeakPolarHBondContact O-CD 3.24Å; C564-K702 WeakPolarHBondContact O-CE 3.29Å; C564-K702 PolarHBondContact O-NZ 3.02Å
565	H	90.5	Very high	76.4	Confident	13 Å²	13	48.6 Å²	48.6	6%	0.06	23%	0.233	C	C	.	.			trans	-154.1	167.6	-179.7	69.8	66.7	0	0	0	116	T562 L563 V567 V617 F627	T562-H565 VanDerWaalsContact C-CD2 3.49Å; T562-H565 PolarHBondContact O-CD2 2.64Å; T562-H565 PolarHBondContact O-NE2 2.7Å; T562-H565 VanDerWaalsContact O-NE2 3.08Å; L563-H565 PolarHBondContact O-N 2.86Å; L563-H565 VanDerWaalsContact O-N 3.14Å; H565-V567 HydrophobicContact CB-CG2 4.06Å; H565-V567 PolarHBondContact CE1-O 3.13Å; H565-V567 PolarHBondContact ND1-N 2.81Å; H565-V567 VanDerWaalsContact ND1-N 3.15Å; H565-V567 PolarHBondContact ND1-O 2.95Å; H565-V617 HydrophobicContact CB-CG2 4.21Å; H565-V617 WeakPolarHBondContact CD2-CG2 3.43Å; H565-F627 AromaticContact CE1-CD1 3.82Å; H565-F627 AromaticContact CE1-CE1 3.76Å; H565-F627 AromaticContact CE1-CZ 4Å; H565-F627 AromaticContact NE2-CG 3.95Å
566	T	86.2	Confident	74.1	Confident	39 Å²	39	50.4 Å²	50.4	24%	0.239	25%	0.247	C	C	.	.			trans	-107.4	3.6	171.2	65.5	0	0	0	0	113.9	T609 E613 M686	T566-T609 PolarHBondContact OG1-OG1 3.43Å; T566-E613 WeakPolarHBondContact CB-OE2 3.33Å; T566-E613 PolarHBondContact N-OE2 3.31Å; T566-E613 PolarHBondContact OG1-OE2 3.24Å; T566-M686 HydrophobicContact CG2-CE 3.55Å; T566-M686 HydrophobicContact CG2-SD 4.16Å
567	V	86.3	Confident	71.7	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.018	27%	0.272	C	S	.	.			trans	-54.9	136	178.6	-175	0	0	0	0	112	H565 Y606 E607 A608 E613 V617	H565-V567 HydrophobicContact CB-CG2 4.06Å; H565-V567 PolarHBondContact CE1-O 3.13Å; H565-V567 PolarHBondContact ND1-N 2.81Å; H565-V567 VanDerWaalsContact ND1-N 3.15Å; H565-V567 PolarHBondContact ND1-O 2.95Å; V567-Y606 HydrophobicContact CG1-CD1 3.82Å; V567-Y606 HydrophobicContact CG1-CG 4.08Å; V567-E607 CarbonylContact C-O 3.54Å; V567-E607 WeakPolarHBondContact CA-O 3.43Å; V567-E607 WeakPolarHBondContact CG1-O 3.4Å; V567-A608 HydrophobicContact CB-CB 4.44Å; V567-A608 HydrophobicContact CG2-CB 3.83Å; V567-E613 HydrophobicContact CG2-CB 3.97Å; V567-V617 HydrophobicContact CB-CG2 4.34Å; V567-V617 HydrophobicContact CG1-CG1 4.45Å; V567-V617 HydrophobicContact CG2-CB 4.26Å; V567-V617 HydrophobicContact CG2-CG2 3.76Å
568	E	82.6	Confident	69.3	Low	85 Å²	85	60.2 Å²	60.2	40%	0.397	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	161.6	174.4	-62.1	-171.1	155.7	0	0	110.5	E607	E568-E607 PolarHBondContact N-O 3.07Å; E568-E607 PolarHBondContact O-N 3.02Å
569	L	79.8	Confident	66.7	Low	32 Å²	32	64.1 Å²	64.1	17%	0.168	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	128.5	-179.3	-73.7	160	0	0	0	110.5	Y572 Y604 Y606 F627 S628	L569-Y572 HydrophobicContact CB-CD2 4.4Å; L569-Y572 HydrophobicContact CD1-CD2 4.16Å; L569-Y572 HydrophobicContact CD1-CE2 4.09Å; L569-Y604 HydrophobicContact CD2-CD1 3.84Å; L569-Y604 HydrophobicContact CD2-CG 3.88Å; L569-Y606 HydrophobicContact CD2-CD1 3.92Å; L569-Y606 HydrophobicContact CD2-CE1 3.77Å; L569-F627 HydrophobicContact CD1-CD1 4.44Å; L569-F627 HydrophobicContact CD1-CE1 4.13Å; L569-F627 HydrophobicContact CD1-CZ 4.44Å; L569-F627 HydrophobicContact CD2-CD1 4.43Å; L569-F627 HydrophobicContact CG-CD1 4.21Å; L569-F627 HydrophobicContact CG-CE1 3.94Å; L569-S628 VanDerWaalsContact CD1-C 3.49Å; L569-S628 WeakPolarHBondContact CD1-O 3.36Å
570	K	66.3	Low	63.9	Low	82 Å²	82	71.9 Å²	71.9	36%	0.357	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	123.8	179.9	-166.7	-177.7	177.8	-165.9	0	110.2	E605 E607	K570-E605 HydrophobicContact CB-CB 3.99Å; K570-E605 VanDerWaalsContact CB-O 3.25Å; K570-E605 WeakPolarHBondContact CB-O 3.14Å; K570-E605 HydrophobicContact CD-CB 3.99Å; K570-E605 VanDerWaalsContact CD-OE2 3.23Å; K570-E605 WeakPolarHBondContact CD-OE2 3.43Å; K570-E605 WeakPolarHBondContact CE-OE2 3.02Å; K570-E605 PolarHBondContact N-O 3.48Å; K570-E605 IonicContact NZ-OE2 3.93Å; K570-E605 PolarHBondContact NZ-OE2 3.06Å; K570-E607 HydrophobicContact CB-CG 4.08Å; K570-E607 HydrophobicContact CD-CG 4.01Å; K570-E607 WeakPolarHBondContact CD-OE1 3.47Å; K570-E607 WeakPolarHBondContact CE-OE1 3.44Å; K570-E607 HydrophobicContact CG-CG 4.15Å; K570-E607 WeakPolarHBondContact CG-OE1 3.49Å
571	N	55.7	Low	61	Low	119 Å²	119	80 Å²	80	64%	0.636	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	53.9	179.9	-55.7	-41.7	0	0	0	116.5	N573	N571-N573 PolarHBondContact O-N 3.22Å
572	Y	46.4	Very low	58.1	Low	88 Å²	88	87.8 Å²	87.8	35%	0.345	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-57.5	-33.1	173.5	-152.3	-108.5	0	0	0	113.6	L569 K574	L569-Y572 HydrophobicContact CB-CD2 4.4Å; L569-Y572 HydrophobicContact CD1-CD2 4.16Å; L569-Y572 HydrophobicContact CD1-CE2 4.09Å; Y572-K574 PolarHBondContact O-N 2.83Å
573	N	41.4	Very low	55.3	Low	124 Å²	124	96.8 Å²	96.8	66%	0.663	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-80.2	-4.4	-168.1	-62.6	12.5	0	0	0	115.5	N571	N571-N573 PolarHBondContact O-N 3.22Å
574	K	40	Very low	52.7	Low	185 Å²	185	105.2 Å²	105.2	80%	0.804	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-88.6	0.1	-174.4	-119.2	-175.8	-177.7	-174.5	0	115.4	Y572	Y572-K574 PolarHBondContact O-N 2.83Å
575	L	39.3	Very low	49.7	Very low	129 Å²	129	113.2 Å²	113.2	68%	0.675	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120	-15.1	-173.7	-87.5	145.1	0	0	0	114.4
576	N	34.4	Very low	47	Very low	94 Å²	94	116 Å²	116	50%	0.503	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.7	-24.3	-175.8	-67.7	4	0	0	0	113.6	T578 T579	N576-T578 PolarHBondContact O-N 3.04Å; N576-T579 PolarHBondContact O-N 2.76Å; N576-T579 PolarHBondContact O-OG1 2.92Å
577	D	36.6	Very low	44.2	Very low	149 Å²	149	122.5 Å²	122.5	80%	0.797	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	1.3	-178.1	-68.5	-8.6	0	0	0	114.5
578	T	35.2	Very low	41.8	Very low	113 Å²	113	127.6 Å²	127.6	69%	0.693	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	3.9	178.8	47	0	0	0	0	114.2	N576	N576-T578 PolarHBondContact O-N 3.04Å
579	T	31.9	Very low	39.3	Very low	81 Å²	81	131.4 Å²	131.4	50%	0.497	70%	0.695	S	S	.	*	S	Bend	trans	-136.5	33.3	-169.6	48.6	0	0	0	0	114.7	N576	N576-T579 PolarHBondContact O-N 2.76Å; N576-T579 PolarHBondContact O-OG1 2.92Å
580	E	33	Very low	37	Very low	171 Å²	171	137.2 Å²	137.2	80%	0.799	72%	0.724	S	S	*	*	S	Bend	trans	-147.3	115.9	167.1	-115.1	162.3	-133.6	0	0	112.8
581	M	29.4	Very low	35.3	Very low	171 Å²	171	142.1 Å²	142.1	84%	0.842	75%	0.748	S	S	*	*			trans	63.3	95	162.2	-46.3	-153.7	-150.4	0	0	119.4
582	D	31.1	Very low	33.9	Very low	165 Å²	165	146.1 Å²	146.1	88%	0.882	76%	0.763	S	S	*	*			trans	-150.8	79.6	136.3	-116.7	-19.2	0	0	0	111.3	H584	D582-H584 PolarHBondContact O-N 3.3Å
583	H	31.8	Very low	33.1	Very low	189 Å²	189	147.1 Å²	147.1	88%	0.875	78%	0.783	S	S	*	*			trans	-86.2	71.1	172	-105.1	-55	0	0	0	110.3
584	H	36.9	Very low	32.5	Very low	178 Å²	178	146.7 Å²	146.7	82%	0.824	79%	0.79	S	S	*	*			trans	-149.8	129.9	161.1	-96.8	-61.9	0	0	0	114.8	D582	D582-H584 PolarHBondContact O-N 3.3Å
585	N	30.1	Very low	31.9	Very low	167 Å²	167	147 Å²	147	89%	0.893	80%	0.796	S	S	*	*			trans	-41.6	134.3	-178.3	-61.7	-32.9	0	0	0	116.7
586	G	32.2	Very low	31.3	Very low	72 Å²	72	147.9 Å²	147.9	74%	0.742	80%	0.802	S	S	*	*			trans	-170.1	89.2	167.8	0	0	0	0	0	114.1	S588	G586-S588 PolarHBondContact O-N 3.49Å
587	N	28.9	Very low	31	Very low	175 Å²	175	150.5 Å²	150.5	94%	0.936	82%	0.816	S	S	*	*			trans	-63.8	120.7	177.2	-77.9	-26	0	0	0	112.6
588	S	35.7	Very low	30.7	Very low	111 Å²	111	153.3 Å²	153.3	78%	0.776	82%	0.817	S	S	*	*			trans	-157.1	130.3	147.1	57.3	0	0	0	0	112.4	G586	G586-S588 PolarHBondContact O-N 3.49Å
589	N	28.3	Very low	30.4	Very low	164 Å²	164	156.3 Å²	156.3	88%	0.877	82%	0.823	S	S	*	*			trans	-78.8	118.5	-170.8	-55.5	-51.1	0	0	0	112.6
590	I	33	Very low	30.8	Very low	154 Å²	154	156 Å²	156	79%	0.79	82%	0.823	S	S	*	*			trans	-136.3	103.5	155.8	-58.1	-175.6	0	0	0	110.8
591	Q	30.6	Very low	31.1	Very low	185 Å²	185	152.7 Å²	152.7	86%	0.864	82%	0.817	S	S	*	*			trans	31.3	114.6	152.3	-68.2	174.4	-17.2	0	0	120.2
592	Q	26.7	Very low	32.2	Very low	203 Å²	203	145.6 Å²	145.6	95%	0.949	78%	0.781	S	S	*	*			trans	-73.1	131.2	170.5	-65	162.6	-44.9	0	0	112.5
593	S	29.1	Very low	33.6	Very low	110 Å²	110	147.2 Å²	147.2	77%	0.769	78%	0.776	S	S	*	*			trans	-139.8	79.8	154.1	47.4	0	0	0	0	111.2
594	S	28	Very low	35.5	Very low	115 Å²	115	141.5 Å²	141.5	80%	0.804	75%	0.748	S	S	*	*			trans	39.6	93.7	151.6	60.3	0	0	0	0	118.5
595	M	27.2	Very low	37.2	Very low	190 Å²	190	138.8 Å²	138.8	94%	0.936	74%	0.735	S	S	*	*			trans	-142.8	83.7	157.2	-161.8	158.6	179.7	0	0	109.4
596	N	26.6	Very low	39.6	Very low	148 Å²	148	131 Å²	131	79%	0.791	69%	0.693	S	S	*	*			trans	-87.8	138.5	177.9	-79.2	-8.8	0	0	0	110.9
597	N	29.1	Very low	41.6	Very low	150 Å²	150	130.6 Å²	130.6	80%	0.802	67%	0.672	S	S	*	*			trans	71.3	123.6	162.2	-57	-15.3	0	0	0	117.7	E599	N597-E599 PolarHBondContact O-N 3.1Å
598	Y	29.4	Very low	43.9	Very low	207 Å²	207	123.6 Å²	123.6	81%	0.812	64%	0.638	S	S	*	*			trans	-69.7	116.5	175	-78.7	-111.3	0	0	0	111.2
599	E	30.3	Very low	45.4	Very low	176 Å²	176	123.5 Å²	123.5	82%	0.822	63%	0.633	S	S	*	*			trans	-104.6	133.9	161.8	-74	-169.4	149.4	0	0	110.4	N597 C601	N597-E599 PolarHBondContact O-N 3.1Å; E599-C601 PolarHBondContact O-N 2.91Å
600	P	39	Very low	47.5	Very low	75 Å²	75	118 Å²	118	49%	0.487	61%	0.607	S	S	.	*			trans	-71.1	112.7	176.3	23.2	-25.9	0	0	0	110.7	R602 W647	P600-R602 PolarHBondContact O-N 3.36Å; P600-R602 VanDerWaalsContact O-N 3.12Å; P600-W647 HydrophobicContact CB-CH2 4.49Å; P600-W647 HydrophobicContact CG-CH2 3.94Å; P600-W647 HydrophobicContact CG-CZ2 4.37Å
601	C	40.3	Very low	49.6	Very low	102 Å²	102	112.6 Å²	112.6	69%	0.689	58%	0.584	S	S	*	*			trans	-61.3	114.6	178.5	-69.6	0	0	0	0	111.7	E599 Y603	E599-C601 PolarHBondContact O-N 2.91Å; C601-Y603 PolarHBondContact O-N 3.37Å
602	R	52.8	Low	52	Low	21 Å²	21	105.7 Å²	105.7	8%	0.079	55%	0.553	C	S	.	*			trans	-67.4	-16	178.6	-172.5	172.2	173.4	-167.6	-5.7	114.5	P600 Y604 S621 K622 V626 W647 Y649 E663	P600-R602 PolarHBondContact O-N 3.36Å; P600-R602 VanDerWaalsContact O-N 3.12Å; R602-Y604 PolarHBondContact O-N 2.73Å; R602-S621 PolarHBondContact NE-O 3.1Å; R602-S621 PolarHBondContact NH2-O 3.41Å; R602-K622 PolarHBondContact NH2-O 3.03Å; R602-V626 HydrophobicContact CG-CG2 4.32Å; R602-W647 HydrophobicContact CB-CZ2 4.38Å; R602-Y649 PolarHBondContact NH1-OH 3.41Å; R602-Y649 PolarHBondContact NH2-OH 3.27Å; R602-E663 WeakPolarHBondContact CD-OE2 3.36Å; R602-E663 IonicContact CZ-OE2 3.82Å; R602-E663 IonicContact NE-OE2 2.64Å; R602-E663 IonicContact NH1-OE1 3.96Å; R602-E663 PolarHBondContact NH1-OE1 3.43Å; R602-E663 IonicContact NH1-OE2 3.83Å; R602-E663 PolarHBondContact NH1-OE2 3.31Å
603	Y	60.5	Low	54.9	Low	199 Å²	199	96.5 Å²	96.5	78%	0.78	51%	0.51	S	S	*	.			trans	-97.2	78.5	-171.2	-60.6	-77.8	0	0	0	112.3	C601	C601-Y603 PolarHBondContact O-N 3.37Å
604	Y	69.8	Low	57.6	Low	70 Å²	70	94.7 Å²	94.7	28%	0.275	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-76.9	136.4	165.6	-63.8	-81.2	0	0	0	110.7	L569 R602 V626	L569-Y604 HydrophobicContact CD2-CD1 3.84Å; L569-Y604 HydrophobicContact CD2-CG 3.88Å; R602-Y604 PolarHBondContact O-N 2.73Å; Y604-V626 HydrophobicContact CD2-CG1 3.46Å; Y604-V626 VanDerWaalsContact CD2-CG1 3.46Å; Y604-V626 HydrophobicContact CE2-CG1 3.65Å
605	E	73.2	Confident	60.3	Low	120 Å²	120	89.3 Å²	89.3	56%	0.561	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-85.3	122.2	166.7	-76.5	-166.6	-169.7	0	0	110	K570	K570-E605 HydrophobicContact CB-CB 3.99Å; K570-E605 VanDerWaalsContact CB-O 3.25Å; K570-E605 WeakPolarHBondContact CB-O 3.14Å; K570-E605 HydrophobicContact CD-CB 3.99Å; K570-E605 VanDerWaalsContact CD-OE2 3.23Å; K570-E605 WeakPolarHBondContact CD-OE2 3.43Å; K570-E605 WeakPolarHBondContact CE-OE2 3.02Å; K570-E605 PolarHBondContact N-O 3.48Å; K570-E605 IonicContact NZ-OE2 3.93Å; K570-E605 PolarHBondContact NZ-OE2 3.06Å
606	Y	80.8	Confident	63.4	Low	4 Å²	4	80.5 Å²	80.5	2%	0.016	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	137.7	-179.2	-61.6	-70.5	0	0	0	111.7	V567 L569 K614 V617 E618 S621 F627	V567-Y606 HydrophobicContact CG1-CD1 3.82Å; V567-Y606 HydrophobicContact CG1-CG 4.08Å; L569-Y606 HydrophobicContact CD2-CD1 3.92Å; L569-Y606 HydrophobicContact CD2-CE1 3.77Å; Y606-K614 WeakPolarHBondContact O-CE 3.43Å; Y606-K614 PolarHBondContact O-NZ 3Å; Y606-V617 HydrophobicContact CD1-CG1 3.93Å; Y606-V617 HydrophobicContact CD2-CG1 4.38Å; Y606-V617 HydrophobicContact CE1-CG1 3.76Å; Y606-V617 HydrophobicContact CE2-CG1 4.22Å; Y606-V617 HydrophobicContact CG-CG1 4.23Å; Y606-E618 HydrophobicContact CD2-CG 3.72Å; Y606-E618 HydrophobicContact CE2-CG 4.36Å; Y606-S621 WeakPolarHBondContact OH-CB 3.42Å; Y606-S621 PolarHBondContact OH-OG 3.16Å; Y606-F627 HydrophobicContact CD1-CD1 4.22Å; Y606-F627 HydrophobicContact CE1-CB 3.99Å; Y606-F627 AromaticContact CE1-CD1 3.89Å; Y606-F627 HydrophobicContact CE1-CD1 3.89Å; Y606-F627 HydrophobicContact CE1-CG 4.43Å; Y606-F627 PolarHBondContact OH-N 2.94Å; Y606-F627 PolarHBondContact OH-O 3.34Å
607	E	74.9	Confident	66.4	Low	63 Å²	63	73.5 Å²	73.5	29%	0.294	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	139.3	169.7	-76.5	-176.4	169.8	0	0	110	V567 E568 K570	V567-E607 CarbonylContact C-O 3.54Å; V567-E607 WeakPolarHBondContact CA-O 3.43Å; V567-E607 WeakPolarHBondContact CG1-O 3.4Å; E568-E607 PolarHBondContact N-O 3.07Å; E568-E607 PolarHBondContact O-N 3.02Å; K570-E607 HydrophobicContact CB-CG 4.08Å; K570-E607 HydrophobicContact CD-CG 4.01Å; K570-E607 WeakPolarHBondContact CD-OE1 3.47Å; K570-E607 WeakPolarHBondContact CE-OE1 3.44Å; K570-E607 HydrophobicContact CG-CG 4.15Å; K570-E607 WeakPolarHBondContact CG-OE1 3.49Å
608	A	76.5	Confident	69.1	Low	28 Å²	28	68.1 Å²	68.1	23%	0.231	34%	0.34	C	S	.	.			trans	-147.3	150.6	-174.7	0	0	0	0	0	111	V567 S610 K614	V567-A608 HydrophobicContact CB-CB 4.44Å; V567-A608 HydrophobicContact CG2-CB 3.83Å; A608-S610 WeakPolarHBondContact CB-O 3.26Å; A608-S610 PolarHBondContact O-N 2.97Å; A608-K614 HydrophobicContact CB-CB 3.86Å
609	T	67.4	Low	71.6	Confident	109 Å²	109	58.7 Å²	58.7	67%	0.669	31%	0.306	S	S	*	.	S	Bend	trans	-70.2	-22	173.2	60.6	0	0	0	0	113	T566	T566-T609 PolarHBondContact OG1-OG1 3.43Å
610	S	72.9	Confident	74.3	Confident	48 Å²	48	50.3 Å²	50.3	34%	0.336	27%	0.267	S	S	.	.	S	Bend	trans	-136.2	135	179.6	-170	0	0	0	0	111.2	A608 D612 E613 K614	A608-S610 WeakPolarHBondContact CB-O 3.26Å; A608-S610 PolarHBondContact O-N 2.97Å; S610-D612 VanDerWaalsContact C-N 3.35Å; S610-D612 VanDerWaalsContact CB-OD1 3.29Å; S610-D612 WeakPolarHBondContact CB-OD1 3.38Å; S610-D612 PolarHBondContact O-N 2.99Å; S610-D612 PolarHBondContact OG-OD1 3.48Å; S610-E613 PolarHBondContact O-N 3.01Å; S610-K614 PolarHBondContact O-N 3.37Å
611	S	75.9	Confident	76.4	Confident	42 Å²	42	47.3 Å²	47.3	29%	0.294	25%	0.247	S	C	.	.	H	α-helix	trans	-74.8	-20.9	-170.8	53.5	0	0	0	0	114.1	M469 A615	M469-S611 WeakPolarHBondContact CG-OG 3.48Å; S611-A615 WeakPolarHBondContact O-CB 3.42Å; S611-A615 PolarHBondContact O-N 3.3Å
612	D	82.6	Confident	78.1	Confident	39 Å²	39	46.8 Å²	46.8	21%	0.209	23%	0.233	C	C	.	.	H	α-helix	trans	-69.2	-41.1	170.4	53.9	0.1	0	0	0	112.2	S610 A615 L616 L740 I793	S610-D612 VanDerWaalsContact C-N 3.35Å; S610-D612 VanDerWaalsContact CB-OD1 3.29Å; S610-D612 WeakPolarHBondContact CB-OD1 3.38Å; S610-D612 PolarHBondContact O-N 2.99Å; S610-D612 PolarHBondContact OG-OD1 3.48Å; D612-A615 PolarHBondContact O-N 3.2Å; D612-L616 WeakPolarHBondContact O-CB 3.5Å; D612-L616 WeakPolarHBondContact O-CD1 3.45Å; D612-L616 VanDerWaalsContact O-CG 3.24Å; D612-L616 WeakPolarHBondContact O-CG 3.44Å; D612-L616 PolarHBondContact O-N 3.38Å; D612-L740 HydrophobicContact CB-CD1 4.47Å; D612-I793 HydrophobicContact CB-CD1 3.84Å
613	E	86.1	Confident	79.2	Confident	10 Å²	10	46.5 Å²	46.5	5%	0.047	23%	0.233	C	C	.	.	H	α-helix	trans	-61	-45.6	172.7	-53	-159	151.6	0	0	111.7	T566 V567 S610 A615 L616 V617 K702	T566-E613 WeakPolarHBondContact CB-OE2 3.33Å; T566-E613 PolarHBondContact N-OE2 3.31Å; T566-E613 PolarHBondContact OG1-OE2 3.24Å; V567-E613 HydrophobicContact CG2-CB 3.97Å; S610-E613 PolarHBondContact O-N 3.01Å; E613-A615 PolarHBondContact O-N 3.26Å; E613-L616 PolarHBondContact O-N 3.04Å; E613-V617 WeakPolarHBondContact O-CG2 3.42Å; E613-V617 PolarHBondContact O-N 2.75Å; E613-K702 VanDerWaalsContact CG-NZ 3.31Å; E613-K702 VanDerWaalsContact OE1-CE 3.28Å; E613-K702 WeakPolarHBondContact OE1-CE 3Å; E613-K702 IonicContact OE1-NZ 3.83Å; E613-K702 PolarHBondContact OE1-NZ 2.85Å; E613-K702 IonicContact OE2-NZ 2.65Å
614	K	85.5	Confident	79.9	Confident	72 Å²	72	37.1 Å²	37.1	31%	0.313	20%	0.197	S	C	.	.	H	α-helix	trans	-58.1	-47.8	175.9	-179.4	165.4	175.6	161.7	0	111.5	Y606 A608 S610 L616 V617 E618	Y606-K614 WeakPolarHBondContact O-CE 3.43Å; Y606-K614 PolarHBondContact O-NZ 3Å; A608-K614 HydrophobicContact CB-CB 3.86Å; S610-K614 PolarHBondContact O-N 3.37Å; K614-L616 VanDerWaalsContact C-N 3.31Å; K614-L616 PolarHBondContact O-N 2.65Å; K614-V617 PolarHBondContact O-N 3.11Å; K614-E618 WeakPolarHBondContact CE-OE1 3.41Å; K614-E618 HydrophobicContact CG-CG 4.28Å; K614-E618 IonicContact NZ-OE1 2.61Å; K614-E618 VanDerWaalsContact O-CB 3.31Å; K614-E618 WeakPolarHBondContact O-CB 3.3Å; K614-E618 WeakPolarHBondContact O-CG 3.46Å; K614-E618 PolarHBondContact O-N 3.39Å
615	A	86.5	Confident	80.6	Confident	3 Å²	3	33.8 Å²	33.8	3%	0.025	18%	0.184	C	C	.	.	H	α-helix	trans	-63.4	-34.3	178.9	0	0	0	0	0	113.8	M469 S611 D612 E613 G619 I793	M469-A615 HydrophobicContact CB-CB 3.53Å; M469-A615 WeakPolarHBondContact O-CB 3.39Å; S611-A615 WeakPolarHBondContact O-CB 3.42Å; S611-A615 PolarHBondContact O-N 3.3Å; D612-A615 PolarHBondContact O-N 3.2Å; E613-A615 PolarHBondContact O-N 3.26Å; A615-G619 PolarHBondContact O-N 3.22Å; A615-I793 HydrophobicContact CB-CG2 4.29Å
616	L	90.6	Very high	81.2	Confident	4 Å²	4	28 Å²	28	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-67.6	-50.7	174.8	-73.2	162.1	0	0	0	110.9	L471 I561 D612 E613 K614 G619 A620 L740 F742 T791 I793	L471-L616 HydrophobicContact CD1-CD2 4.08Å; I561-L616 HydrophobicContact CD1-CD2 3.85Å; I561-L616 HydrophobicContact CG1-CD2 4.23Å; I561-L616 HydrophobicContact CG2-CB 3.81Å; I561-L616 WeakPolarHBondContact CG2-O 3.45Å; D612-L616 WeakPolarHBondContact O-CB 3.5Å; D612-L616 WeakPolarHBondContact O-CD1 3.45Å; D612-L616 VanDerWaalsContact O-CG 3.24Å; D612-L616 WeakPolarHBondContact O-CG 3.44Å; D612-L616 PolarHBondContact O-N 3.38Å; E613-L616 PolarHBondContact O-N 3.04Å; K614-L616 VanDerWaalsContact C-N 3.31Å; K614-L616 PolarHBondContact O-N 2.65Å; L616-G619 PolarHBondContact O-N 2.82Å; L616-A620 PolarHBondContact O-N 3.36Å; L616-L740 HydrophobicContact CD1-CD1 3.98Å; L616-F742 HydrophobicContact CD1-CE2 4.42Å; L616-F742 HydrophobicContact CD1-CZ 3.99Å; L616-F742 HydrophobicContact CD2-CE2 4.34Å; L616-F742 HydrophobicContact CD2-CZ 4.35Å; L616-T791 HydrophobicContact CD2-CG2 4.31Å; L616-I793 HydrophobicContact CD1-CD1 4.07Å; L616-I793 HydrophobicContact CD2-CD1 4.13Å; L616-I793 HydrophobicContact CG-CD1 3.85Å
617	V	89.9	Confident	81.5	Confident	1 Å²	1	28 Å²	28	1%	0.006	16%	0.157	C	C	.	.	H	α-helix	trans	-66.4	-42.3	179.8	175.6	0	0	0	0	111.8	H565 V567 Y606 E613 K614 G619 A620 S621 F627	H565-V617 HydrophobicContact CB-CG2 4.21Å; H565-V617 WeakPolarHBondContact CD2-CG2 3.43Å; V567-V617 HydrophobicContact CB-CG2 4.34Å; V567-V617 HydrophobicContact CG1-CG1 4.45Å; V567-V617 HydrophobicContact CG2-CB 4.26Å; V567-V617 HydrophobicContact CG2-CG2 3.76Å; Y606-V617 HydrophobicContact CD1-CG1 3.93Å; Y606-V617 HydrophobicContact CD2-CG1 4.38Å; Y606-V617 HydrophobicContact CE1-CG1 3.76Å; Y606-V617 HydrophobicContact CE2-CG1 4.22Å; Y606-V617 HydrophobicContact CG-CG1 4.23Å; E613-V617 WeakPolarHBondContact O-CG2 3.42Å; E613-V617 PolarHBondContact O-N 2.75Å; K614-V617 PolarHBondContact O-N 3.11Å; V617-G619 VanDerWaalsContact C-N 3.31Å; V617-G619 PolarHBondContact O-N 3.2Å; V617-A620 PolarHBondContact O-N 2.67Å; V617-S621 WeakPolarHBondContact O-CB 3.39Å; V617-S621 PolarHBondContact O-N 2.88Å; V617-F627 HydrophobicContact CG1-CB 4.25Å
618	E	86.2	Confident	82	Confident	38 Å²	38	25.2 Å²	25.2	18%	0.178	15%	0.145	C	C	.	.	H	α-helix	trans	-61.3	-39.5	171.7	-78.1	-175.6	-178.7	0	0	112.1	Y606 K614 S621 K622	Y606-E618 HydrophobicContact CD2-CG 3.72Å; Y606-E618 HydrophobicContact CE2-CG 4.36Å; K614-E618 WeakPolarHBondContact CE-OE1 3.41Å; K614-E618 HydrophobicContact CG-CG 4.28Å; K614-E618 IonicContact NZ-OE1 2.61Å; K614-E618 VanDerWaalsContact O-CB 3.31Å; K614-E618 WeakPolarHBondContact O-CB 3.3Å; K614-E618 WeakPolarHBondContact O-CG 3.46Å; K614-E618 PolarHBondContact O-N 3.39Å; E618-S621 PolarHBondContact O-N 3.22Å; E618-K622 WeakPolarHBondContact O-CB 3.44Å; E618-K622 VanDerWaalsContact O-CG 3.3Å; E618-K622 WeakPolarHBondContact O-CG 3.4Å; E618-K622 PolarHBondContact O-N 3.17Å
619	G	82.3	Confident	82.2	Confident	9 Å²	9	23.9 Å²	23.9	9%	0.093	13%	0.134	C	C	.	.	H	α-helix	trans	-60.4	-46.7	174.1	0	0	0	0	0	112.2	A615 L616 V617 K622 L623	A615-G619 PolarHBondContact O-N 3.22Å; L616-G619 PolarHBondContact O-N 2.82Å; V617-G619 VanDerWaalsContact C-N 3.31Å; V617-G619 PolarHBondContact O-N 3.2Å; G619-K622 PolarHBondContact O-N 2.56Å; G619-L623 WeakPolarHBondContact O-CB 3.43Å; G619-L623 VanDerWaalsContact O-CG 3.29Å; G619-L623 WeakPolarHBondContact O-CG 3.42Å; G619-L623 PolarHBondContact O-N 3.31Å; G619-L623 VanDerWaalsContact O-N 3.07Å
620	A	86.4	Confident	83	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.9	-42.5	174.7	0	0	0	0	0	112.4	L558 I561 T562 L616 V617 K622 L623 G624 V625	L558-A620 HydrophobicContact CB-CB 4.24Å; L558-A620 HydrophobicContact CD2-CB 4.23Å; I561-A620 HydrophobicContact CG2-CB 3.94Å; T562-A620 HydrophobicContact CG2-CB 3.64Å; L616-A620 PolarHBondContact O-N 3.36Å; V617-A620 PolarHBondContact O-N 2.67Å; A620-K622 VanDerWaalsContact C-N 3.35Å; A620-K622 PolarHBondContact O-N 2.82Å; A620-L623 CarbonylContact O-C 3.51Å; A620-L623 WeakPolarHBondContact O-CA 3.46Å; A620-L623 PolarHBondContact O-N 3.09Å; A620-G624 PolarHBondContact O-N 3.27Å; A620-V625 CarbonylContact C-O 3.53Å; A620-V625 PolarHBondContact O-N 3.24Å; A620-V625 VanDerWaalsContact O-O 3.13Å
621	S	83.5	Confident	83.5	Confident	11 Å²	11	24.3 Å²	24.3	8%	0.077	12%	0.121	C	C	.	.	H	α-helix	trans	-60	-43.2	177.4	-160.6	0	0	0	0	111.7	R602 Y606 V617 E618 L623 G624 V625	R602-S621 PolarHBondContact NE-O 3.1Å; R602-S621 PolarHBondContact NH2-O 3.41Å; Y606-S621 WeakPolarHBondContact OH-CB 3.42Å; Y606-S621 PolarHBondContact OH-OG 3.16Å; V617-S621 WeakPolarHBondContact O-CB 3.39Å; V617-S621 PolarHBondContact O-N 2.88Å; E618-S621 PolarHBondContact O-N 3.22Å; S621-L623 VanDerWaalsContact C-N 3.3Å; S621-L623 PolarHBondContact O-N 3.39Å; S621-G624 PolarHBondContact O-N 3.12Å; S621-V625 WeakPolarHBondContact CA-O 3.35Å; S621-V625 PolarHBondContact N-O 3.37Å; S621-V625 VanDerWaalsContact N-O 3.12Å
622	K	76.6	Confident	83.5	Confident	91 Å²	91	26.6 Å²	26.6	40%	0.396	14%	0.135	S	C	.	.	H	α-helix	trans	-64.9	-31.1	173.6	-73.5	169.8	-176.8	172.2	0	112.9	R602 E618 G619 A620 Y649	R602-K622 PolarHBondContact NH2-O 3.03Å; E618-K622 WeakPolarHBondContact O-CB 3.44Å; E618-K622 VanDerWaalsContact O-CG 3.3Å; E618-K622 WeakPolarHBondContact O-CG 3.4Å; E618-K622 PolarHBondContact O-N 3.17Å; G619-K622 PolarHBondContact O-N 2.56Å; A620-K622 VanDerWaalsContact C-N 3.35Å; A620-K622 PolarHBondContact O-N 2.82Å; K622-Y649 PolarHBondContact O-OH 3.28Å
623	L	76.2	Confident	83.2	Confident	15 Å²	15	25.2 Å²	25.2	8%	0.079	13%	0.128	C	C	.	.	H	α-helix	trans	-89.8	1.2	178.5	-66.2	168.7	0	0	0	114.3	C485 F554 L558 G619 A620 S621	C485-L623 HydrophobicContact CB-CD1 4.22Å; F554-L623 HydrophobicContact CE1-CD1 4.46Å; F554-L623 HydrophobicContact CZ-CD1 4.05Å; L558-L623 HydrophobicContact CD1-CB 3.6Å; L558-L623 HydrophobicContact CD1-CD1 4.29Å; L558-L623 HydrophobicContact CD2-CB 4.43Å; L558-L623 HydrophobicContact CD2-CD1 3.82Å; G619-L623 WeakPolarHBondContact O-CB 3.43Å; G619-L623 VanDerWaalsContact O-CG 3.29Å; G619-L623 WeakPolarHBondContact O-CG 3.42Å; G619-L623 PolarHBondContact O-N 3.31Å; G619-L623 VanDerWaalsContact O-N 3.07Å; A620-L623 CarbonylContact O-C 3.51Å; A620-L623 WeakPolarHBondContact O-CA 3.46Å; A620-L623 PolarHBondContact O-N 3.09Å; S621-L623 VanDerWaalsContact C-N 3.3Å; S621-L623 PolarHBondContact O-N 3.39Å
624	G	74.1	Confident	82.7	Confident	2 Å²	2	32.4 Å²	32.4	2%	0.021	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.5	13.4	170.5	0	0	0	0	0	115.8	A620 S621 W647	A620-G624 PolarHBondContact O-N 3.27Å; S621-G624 PolarHBondContact O-N 3.12Å; G624-W647 PolarHBondContact O-N 3.5Å
625	V	84	Confident	81.9	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	102	171.1	-175.9	0	0	0	0	108.3	L558 T562 A620 S621 I644 Y646	L558-V625 HydrophobicContact CB-CB 3.93Å; L558-V625 HydrophobicContact CB-CG1 4.46Å; L558-V625 HydrophobicContact CB-CG2 3.64Å; L558-V625 HydrophobicContact CD1-CG2 4.02Å; T562-V625 HydrophobicContact CG2-CG1 4.21Å; A620-V625 CarbonylContact C-O 3.53Å; A620-V625 PolarHBondContact O-N 3.24Å; A620-V625 VanDerWaalsContact O-O 3.13Å; S621-V625 WeakPolarHBondContact CA-O 3.35Å; S621-V625 PolarHBondContact N-O 3.37Å; S621-V625 VanDerWaalsContact N-O 3.12Å; V625-I644 HydrophobicContact CG1-CG2 3.55Å; V625-Y646 HydrophobicContact CB-CE1 4.48Å; V625-Y646 HydrophobicContact CG1-CD1 4.25Å; V625-Y646 HydrophobicContact CG1-CE1 3.81Å; V625-Y646 HydrophobicContact CG2-CD1 3.89Å; V625-Y646 HydrophobicContact CG2-CE1 3.94Å
626	V	85.6	Confident	81	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	130.9	-166	-179.6	0	0	0	0	109.5	R602 Y604 I644 D645	R602-V626 HydrophobicContact CG-CG2 4.32Å; Y604-V626 HydrophobicContact CD2-CG1 3.46Å; Y604-V626 VanDerWaalsContact CD2-CG1 3.46Å; Y604-V626 HydrophobicContact CE2-CG1 3.65Å; V626-I644 CarbonylContact O-C 3.6Å; V626-I644 WeakPolarHBondContact O-CA 3.19Å; V626-D645 HydrophobicContact CB-CB 4.2Å; V626-D645 PolarHBondContact N-O 3.16Å; V626-D645 PolarHBondContact O-N 3.15Å
627	F	88.9	Confident	79.6	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.009	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	117.2	174	167.7	-121.9	0	0	0	108.9	H565 L569 Y606 V617 G629 K630 L642	H565-F627 AromaticContact CE1-CD1 3.82Å; H565-F627 AromaticContact CE1-CE1 3.76Å; H565-F627 AromaticContact CE1-CZ 4Å; H565-F627 AromaticContact NE2-CG 3.95Å; L569-F627 HydrophobicContact CD1-CD1 4.44Å; L569-F627 HydrophobicContact CD1-CE1 4.13Å; L569-F627 HydrophobicContact CD1-CZ 4.44Å; L569-F627 HydrophobicContact CD2-CD1 4.43Å; L569-F627 HydrophobicContact CG-CD1 4.21Å; L569-F627 HydrophobicContact CG-CE1 3.94Å; Y606-F627 HydrophobicContact CD1-CD1 4.22Å; Y606-F627 HydrophobicContact CE1-CB 3.99Å; Y606-F627 AromaticContact CE1-CD1 3.89Å; Y606-F627 HydrophobicContact CE1-CD1 3.89Å; Y606-F627 HydrophobicContact CE1-CG 4.43Å; Y606-F627 PolarHBondContact OH-N 2.94Å; Y606-F627 PolarHBondContact OH-O 3.34Å; V617-F627 HydrophobicContact CG1-CB 4.25Å; F627-G629 WeakPolarHBondContact CE2-O 3.43Å; F627-K630 HydrophobicContact CE2-CB 4.43Å; F627-K630 HydrophobicContact CZ-CB 4.01Å; F627-L642 HydrophobicContact CE2-CB 4.23Å; F627-L642 HydrophobicContact CE2-CD2 4.14Å; F627-L642 HydrophobicContact CE2-CG 3.94Å
628	S	84	Confident	78.4	Confident	6 Å²	6	47 Å²	47	4%	0.042	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	-15.9	-164.4	56.1	0	0	0	0	115.4	L569 Y643 D645	L569-S628 VanDerWaalsContact CD1-C 3.49Å; L569-S628 WeakPolarHBondContact CD1-O 3.36Å; S628-Y643 PolarHBondContact N-O 3.01Å; S628-Y643 WeakPolarHBondContact OG-CB 3.34Å; S628-Y643 PolarHBondContact OG-O 2.86Å; S628-D645 VanDerWaalsContact CB-CG 3.44Å; S628-D645 WeakPolarHBondContact CB-OD1 3.13Å; S628-D645 WeakPolarHBondContact CB-OD2 3.24Å; S628-D645 VanDerWaalsContact OG-CG 3.24Å; S628-D645 PolarHBondContact OG-OD1 3.32Å
629	G	81.8	Confident	78.1	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.4	158.6	177.6	0	0	0	0	0	114.5	F627 L642 Y643	F627-G629 WeakPolarHBondContact CE2-O 3.43Å; G629-L642 WeakPolarHBondContact O-CA 3.16Å; G629-Y643 PolarHBondContact O-N 3.16Å
630	K	83.1	Confident	78.2	Confident	91 Å²	91	47 Å²	47	40%	0.396	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	125.2	172.8	177.2	-174.6	174	-170	0	110.3	F627 N640 R641 L642	F627-K630 HydrophobicContact CE2-CB 4.43Å; F627-K630 HydrophobicContact CZ-CB 4.01Å; K630-N640 WeakPolarHBondContact CE-OD1 3.24Å; K630-N640 HydrophobicContact CG-CB 4.28Å; K630-R641 CarbonylContact C-O 3.59Å; K630-R641 VanDerWaalsContact CA-O 3.29Å; K630-R641 WeakPolarHBondContact CA-O 2.94Å; K630-L642 HydrophobicContact CG-CD1 4.15Å
631	E	82.9	Confident	78.2	Confident	74 Å²	74	50.7 Å²	50.7	35%	0.346	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	146.9	-179.8	-71.6	168.7	179.1	0	0	110.3	N640 R641 Y643	E631-N640 CarbonylContact O-C 3.55Å; E631-N640 VanDerWaalsContact O-CA 3.3Å; E631-N640 WeakPolarHBondContact O-CA 3.35Å; E631-R641 PolarHBondContact N-O 3.25Å; E631-R641 PolarHBondContact O-N 3.32Å; E631-Y643 HydrophobicContact CB-CE2 4.46Å; E631-Y643 HydrophobicContact CG-CE2 4.09Å; E631-Y643 VanDerWaalsContact OE2-CE2 3.28Å; E631-Y643 WeakPolarHBondContact OE2-CE2 3.15Å; E631-Y643 PolarHBondContact OE2-OH 3.33Å
632	P	76.4	Confident	78.5	Confident	90 Å²	90	50.6 Å²	50.6	58%	0.584	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	137.6	169.5	29.9	-33.4	0	0	0	110	L634	P632-L634 PolarHBondContact O-N 3.14Å
633	D	77.6	Confident	79.1	Confident	11 Å²	11	48.4 Å²	48.4	6%	0.059	27%	0.266	C	S	.	.			trans	-78.1	110.9	173.8	-161.9	-10	0	0	0	110	N635 E636 S639 R641	D633-N635 PolarHBondContact O-N 3.23Å; D633-N635 VanDerWaalsContact O-N 3.12Å; D633-N635 PolarHBondContact OD1-N 3.18Å; D633-E636 PolarHBondContact O-N 2.84Å; D633-S639 PolarHBondContact N-O 2.88Å; D633-R641 HydrophobicContact CB-CG 4.19Å; D633-R641 IonicContact OD1-CZ 3.41Å; D633-R641 IonicContact OD1-NE 3.39Å; D633-R641 PolarHBondContact OD1-NE 2.83Å; D633-R641 VanDerWaalsContact OD1-NE 3.12Å; D633-R641 IonicContact OD1-NH2 2.78Å; D633-R641 PolarHBondContact OD1-NH2 2.83Å; D633-R641 IonicContact OD2-NE 3.72Å; D633-R641 IonicContact OD2-NH2 3.62Å
634	L	74.2	Confident	79.7	Confident	161 Å²	161	47.7 Å²	47.7	84%	0.843	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-22.8	-178.9	-63.6	173.7	0	0	0	113	P632	P632-L634 PolarHBondContact O-N 3.14Å
635	N	69.3	Low	80.3	Confident	134 Å²	134	47.7 Å²	47.7	72%	0.717	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-25.5	-176.9	-66.4	-11.2	0	0	0	113.6	D633	D633-N635 PolarHBondContact O-N 3.23Å; D633-N635 VanDerWaalsContact O-N 3.12Å; D633-N635 PolarHBondContact OD1-N 3.18Å
636	E	66.7	Low	80.3	Confident	58 Å²	58	48 Å²	48	27%	0.271	26%	0.263	S	S	.	.	S	Bend	trans	-137.4	106.6	-172.7	-75.2	-173.9	-140.4	0	0	111.7	D633 G638 S639 R691	D633-E636 PolarHBondContact O-N 2.84Å; E636-G638 PolarHBondContact O-N 3.12Å; E636-G638 VanDerWaalsContact O-N 3.07Å; E636-S639 PolarHBondContact O-N 3.4Å; E636-R691 IonicContact OE1-CZ 3.59Å; E636-R691 IonicContact OE1-NH1 2.64Å; E636-R691 PolarHBondContact OE1-NH1 3.33Å; E636-R691 IonicContact OE1-NH2 2.72Å; E636-R691 PolarHBondContact OE1-NH2 2.88Å; E636-R691 VanDerWaalsContact OE1-NH2 3.07Å; E636-R691 IonicContact OE2-CZ 3.49Å; E636-R691 IonicContact OE2-NH1 3.41Å; E636-R691 IonicContact OE2-NH2 2.79Å; E636-R691 PolarHBondContact OE2-NH2 2.76Å
637	T	61.6	Low	79.8	Confident	132 Å²	132	49 Å²	49	81%	0.81	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	116.3	-178.3	55.6	0	0	0	0	111.9	K760	T637-K760 PolarHBondContact O-NZ 3.41Å; T637-K760 VanDerWaalsContact O-NZ 3.14Å
638	G	66.1	Low	78.8	Confident	62 Å²	62	50.3 Å²	50.3	64%	0.639	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.6	-14.1	178.9	0	0	0	0	0	115.1	E636	E636-G638 PolarHBondContact O-N 3.12Å; E636-G638 VanDerWaalsContact O-N 3.07Å
639	S	79.5	Confident	77.7	Confident	3 Å²	3	55.1 Å²	55.1	2%	0.021	29%	0.294	C	S	.	.			trans	-83.8	149.3	177.4	-63.3	0	0	0	0	111.5	D633 E636 V673 D674	D633-S639 PolarHBondContact N-O 2.88Å; E636-S639 PolarHBondContact O-N 3.4Å; S639-V673 WeakPolarHBondContact CA-O 3.28Å; S639-D674 WeakPolarHBondContact CB-OD1 3.33Å; S639-D674 PolarHBondContact OG-OD1 2.77Å
640	N	83.6	Confident	76	Confident	43 Å²	43	58.6 Å²	58.6	23%	0.23	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	137.3	177	-59.4	-95.9	0	0	0	110.3	K630 E631 L642 V673	K630-N640 WeakPolarHBondContact CE-OD1 3.24Å; K630-N640 HydrophobicContact CG-CB 4.28Å; E631-N640 CarbonylContact O-C 3.55Å; E631-N640 VanDerWaalsContact O-CA 3.3Å; E631-N640 WeakPolarHBondContact O-CA 3.35Å; N640-L642 HydrophobicContact CB-CD1 3.99Å; N640-V673 PolarHBondContact N-O 2.9Å; N640-V673 PolarHBondContact O-N 2.9Å
641	R	87.1	Confident	73.9	Confident	79 Å²	79	58.5 Å²	58.5	30%	0.298	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	128	168.5	-62.3	-176.1	-175.9	-175.1	6.5	108.9	K630 E631 D633 Y671	K630-R641 CarbonylContact C-O 3.59Å; K630-R641 VanDerWaalsContact CA-O 3.29Å; K630-R641 WeakPolarHBondContact CA-O 2.94Å; E631-R641 PolarHBondContact N-O 3.25Å; E631-R641 PolarHBondContact O-N 3.32Å; D633-R641 HydrophobicContact CB-CG 4.19Å; D633-R641 IonicContact OD1-CZ 3.41Å; D633-R641 IonicContact OD1-NE 3.39Å; D633-R641 PolarHBondContact OD1-NE 2.83Å; D633-R641 VanDerWaalsContact OD1-NE 3.12Å; D633-R641 IonicContact OD1-NH2 2.78Å; D633-R641 PolarHBondContact OD1-NH2 2.83Å; D633-R641 IonicContact OD2-NE 3.72Å; D633-R641 IonicContact OD2-NH2 3.62Å; R641-Y671 WeakPolarHBondContact CA-O 3.25Å
642	L	89.9	Confident	71.5	Confident	9 Å²	9	61.1 Å²	61.1	5%	0.047	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	129.6	174.5	-81.8	67.1	0	0	0	108.9	F627 G629 K630 N640 C670 Y671 V673	F627-L642 HydrophobicContact CE2-CB 4.23Å; F627-L642 HydrophobicContact CE2-CD2 4.14Å; F627-L642 HydrophobicContact CE2-CG 3.94Å; G629-L642 WeakPolarHBondContact O-CA 3.16Å; K630-L642 HydrophobicContact CG-CD1 4.15Å; N640-L642 HydrophobicContact CB-CD1 3.99Å; L642-C670 WeakPolarHBondContact O-CA 3.44Å; L642-Y671 PolarHBondContact N-O 3.31Å; L642-Y671 PolarHBondContact O-N 2.93Å; L642-V673 HydrophobicContact CD1-CB 4.02Å; L642-V673 HydrophobicContact CD1-CG2 3.66Å; L642-V673 HydrophobicContact CD2-CG2 3.99Å; L642-V673 HydrophobicContact CG-CG2 4.35Å
643	Y	89.2	Confident	69.3	Low	44 Å²	44	62.8 Å²	62.8	17%	0.173	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	132.5	176.4	-57.5	-77.8	0	0	0	110.6	S628 G629 E631 R668 Q669 C670	S628-Y643 PolarHBondContact N-O 3.01Å; S628-Y643 WeakPolarHBondContact OG-CB 3.34Å; S628-Y643 PolarHBondContact OG-O 2.86Å; G629-Y643 PolarHBondContact O-N 3.16Å; E631-Y643 HydrophobicContact CB-CE2 4.46Å; E631-Y643 HydrophobicContact CG-CE2 4.09Å; E631-Y643 VanDerWaalsContact OE2-CE2 3.28Å; E631-Y643 WeakPolarHBondContact OE2-CE2 3.15Å; E631-Y643 PolarHBondContact OE2-OH 3.33Å; Y643-R668 HydrophobicContact CD1-CG 4.37Å; Y643-Q669 WeakPolarHBondContact CA-O 3.33Å; Y643-C670 HydrophobicContact CD1-CB 3.97Å; Y643-C670 HydrophobicContact CE1-CB 3.93Å
644	I	88.9	Confident	67.1	Low	0 Å²	0	68.3 Å²	68.3	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127.6	178.2	-63.1	173.1	0	0	0	109.1	T559 T562 L563 V625 V626 Y646 R668 Q669 Y671	T559-I644 HydrophobicContact CG2-CD1 4.4Å; T562-I644 WeakPolarHBondContact OG1-CD1 3.38Å; L563-I644 HydrophobicContact CD2-CD1 3.66Å; L563-I644 HydrophobicContact CG-CD1 3.9Å; V625-I644 HydrophobicContact CG1-CG2 3.55Å; V626-I644 CarbonylContact O-C 3.6Å; V626-I644 WeakPolarHBondContact O-CA 3.19Å; I644-Y646 HydrophobicContact CB-CE2 4.41Å; I644-Y646 HydrophobicContact CG2-CD2 4.45Å; I644-Y646 HydrophobicContact CG2-CE1 4.3Å; I644-Y646 HydrophobicContact CG2-CE2 3.85Å; I644-R668 CarbonylContact O-C 3.59Å; I644-R668 WeakPolarHBondContact O-CA 3.14Å; I644-Q669 PolarHBondContact N-O 3.24Å; I644-Q669 PolarHBondContact O-N 3.02Å; I644-Y671 HydrophobicContact CB-CE2 4.44Å; I644-Y671 HydrophobicContact CD1-CD2 3.83Å; I644-Y671 HydrophobicContact CD1-CE2 3.92Å; I644-Y671 HydrophobicContact CG1-CD2 4.37Å
645	D	86.3	Confident	65	Low	2 Å²	2	66.2 Å²	66.2	1%	0.011	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.6	-177	-70.6	12.2	0	0	0	109.8	V626 S628 F665 R668	V626-D645 HydrophobicContact CB-CB 4.2Å; V626-D645 PolarHBondContact N-O 3.16Å; V626-D645 PolarHBondContact O-N 3.15Å; S628-D645 VanDerWaalsContact CB-CG 3.44Å; S628-D645 WeakPolarHBondContact CB-OD1 3.13Å; S628-D645 WeakPolarHBondContact CB-OD2 3.24Å; S628-D645 VanDerWaalsContact OG-CG 3.24Å; S628-D645 PolarHBondContact OG-OD1 3.32Å; D645-F665 HydrophobicContact CB-CE2 3.87Å; D645-R668 WeakPolarHBondContact OD1-CG 3.18Å; D645-R668 IonicContact OD1-CZ 3.33Å; D645-R668 IonicContact OD1-NE 3.12Å; D645-R668 PolarHBondContact OD1-NE 2.72Å; D645-R668 IonicContact OD1-NH2 2.74Å; D645-R668 PolarHBondContact OD1-NH2 2.73Å; D645-R668 IonicContact OD2-CZ 2.64Å; D645-R668 IonicContact OD2-NE 3.5Å; D645-R668 IonicContact OD2-NH2 3.83Å; D645-R668 PolarHBondContact OD2-NH2 3.38Å
646	Y	84.5	Confident	63.1	Low	6 Å²	6	66.1 Å²	66.1	2%	0.024	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	138	-179	-65.2	-86	0	0	0	111.8	R555 T559 V625 I644 L666 N667 Q669 Y671	R555-Y646 HydrophobicContact CG-CD1 4.2Å; R555-Y646 HydrophobicContact CG-CE1 4.03Å; T559-Y646 WeakPolarHBondContact CG2-OH 3.48Å; T559-Y646 WeakPolarHBondContact OG1-CE1 3.23Å; T559-Y646 PolarHBondContact OG1-OH 2.76Å; V625-Y646 HydrophobicContact CB-CE1 4.48Å; V625-Y646 HydrophobicContact CG1-CD1 4.25Å; V625-Y646 HydrophobicContact CG1-CE1 3.81Å; V625-Y646 HydrophobicContact CG2-CD1 3.89Å; V625-Y646 HydrophobicContact CG2-CE1 3.94Å; I644-Y646 HydrophobicContact CB-CE2 4.41Å; I644-Y646 HydrophobicContact CG2-CD2 4.45Å; I644-Y646 HydrophobicContact CG2-CE1 4.3Å; I644-Y646 HydrophobicContact CG2-CE2 3.85Å; Y646-L666 WeakPolarHBondContact O-CB 3.23Å; Y646-L666 PolarHBondContact O-N 2.9Å; Y646-N667 WeakPolarHBondContact CB-OD1 3.01Å; Y646-N667 WeakPolarHBondContact CD2-OD1 3.44Å; Y646-N667 PolarHBondContact N-O 3.31Å; Y646-Q669 HydrophobicContact CD2-CG 4.32Å; Y646-Q669 HydrophobicContact CE2-CB 4.07Å; Y646-Q669 HydrophobicContact CE2-CG 3.88Å; Y646-Y671 PolarHBondContact OH-OH 3.4Å
647	W	75	Confident	61.4	Low	21 Å²	21	72.5 Å²	72.5	8%	0.08	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	154.6	-178.3	-62.1	75.7	0	0	0	111.2	P600 R602 G624 E663 K664 F665	P600-W647 HydrophobicContact CB-CH2 4.49Å; P600-W647 HydrophobicContact CG-CH2 3.94Å; P600-W647 HydrophobicContact CG-CZ2 4.37Å; R602-W647 HydrophobicContact CB-CZ2 4.38Å; G624-W647 PolarHBondContact O-N 3.5Å; W647-E663 HydrophobicContact CE3-CB 4.33Å; W647-K664 WeakPolarHBondContact CA-O 3.25Å; W647-F665 HydrophobicContact CD2-CB 4.39Å; W647-F665 HydrophobicContact CD2-CD2 4.4Å; W647-F665 AromaticContact CE2-CD2 3.9Å; W647-F665 HydrophobicContact CE3-CB 4.13Å; W647-F665 HydrophobicContact CH2-CB 4.31Å; W647-F665 AromaticContact CZ2-CD2 3.99Å; W647-F665 HydrophobicContact CZ2-CD2 3.99Å; W647-F665 HydrophobicContact CZ3-CB 4.09Å
648	S	67.9	Low	60	Low	31 Å²	31	76.4 Å²	76.4	22%	0.217	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141.8	171.4	50.1	0	0	0	0	111.8	K664 L666	S648-K664 PolarHBondContact N-O 3.18Å; S648-K664 PolarHBondContact O-N 3.24Å; S648-K664 VanDerWaalsContact O-N 3.08Å; S648-K664 PolarHBondContact OG-O 3.31Å; S648-L666 WeakPolarHBondContact OG-CD2 3.2Å
649	Y	59.9	Low	58.2	Low	106 Å²	106	81.5 Å²	81.5	42%	0.416	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	139.4	164.9	-65.9	-79.5	0	0	0	110.1	R602 K622 E663	R602-Y649 PolarHBondContact NH1-OH 3.41Å; R602-Y649 PolarHBondContact NH2-OH 3.27Å; K622-Y649 PolarHBondContact O-OH 3.28Å; Y649-E663 HydrophobicContact CE1-CG 4.39Å; Y649-E663 WeakPolarHBondContact CE1-OE1 3.34Å
650	S	46.4	Very low	56.1	Low	73 Å²	73	86.3 Å²	86.3	51%	0.51	47%	0.465	S	S	.	.			trans	-105.4	101.1	165	58.6	0	0	0	0	110	T652	S650-T652 PolarHBondContact O-N 2.73Å; S650-T652 VanDerWaalsContact O-N 3.09Å
651	S	39.7	Very low	54.2	Low	89 Å²	89	90.7 Å²	90.7	62%	0.622	49%	0.489	S	S	*	.			trans	-82.9	75.8	175.9	57.7	0	0	0	0	111.7	T653	S651-T653 PolarHBondContact O-N 2.7Å
652	T	32.8	Very low	52.3	Low	130 Å²	130	93 Å²	93	80%	0.798	51%	0.507	S	S	*	.			trans	-77.9	104.8	165.4	40.1	0	0	0	0	110	S650 T654	S650-T652 PolarHBondContact O-N 2.73Å; S650-T652 VanDerWaalsContact O-N 3.09Å; T652-T654 PolarHBondContact O-N 3.27Å
653	T	30.2	Very low	50.8	Low	125 Å²	125	95.1 Å²	95.1	77%	0.767	52%	0.517	S	S	*	.			trans	-56.2	114.7	169.8	47.4	0	0	0	0	111.6	S651	S651-T653 PolarHBondContact O-N 2.7Å
654	T	30.9	Very low	49.7	Very low	126 Å²	126	100.1 Å²	100.1	77%	0.773	54%	0.54	S	S	*	.				177.1	132.5	124.7	26.1	0	0	0	0	112.2	T652	T652-T654 PolarHBondContact O-N 3.27Å
655	T	29.6	Very low	49	Very low	118 Å²	118	103.9 Å²	103.9	72%	0.724	56%	0.556	S	S	*	*			trans	16.6	123.5	149.5	53.6	0	0	0	0	121
656	T	29.1	Very low	48.4	Very low	131 Å²	131	107.3 Å²	107.3	80%	0.804	57%	0.574	S	S	*	*			trans	85.9	137.8	157.5	75.4	0	0	0	0	119.6
657	K	31.6	Very low	48.4	Very low	192 Å²	192	110 Å²	110	84%	0.835	59%	0.589	S	S	*	*			trans	76.7	139.9	170.5	-62.6	-175.7	177.7	-179.5	0	118	E659	K657-E659 PolarHBondContact O-N 2.98Å
658	K	31	Very low	49	Very low	214 Å²	214	115.3 Å²	115.3	93%	0.93	61%	0.609	S	S	*	*			trans	-89.5	81.3	-172.7	-65.5	171.1	172.9	176.9	0	110.3
659	E	30.2	Very low	50	Low	169 Å²	169	116.8 Å²	116.8	79%	0.79	61%	0.612	S	S	*	*			trans	-132.4	134	174.7	-67.5	-177.5	175.4	0	0	111.1	K657	K657-E659 PolarHBondContact O-N 2.98Å
660	S	34.9	Very low	51.4	Low	104 Å²	104	114 Å²	114	73%	0.727	61%	0.608	S	S	*	*			trans	3.9	115.7	175.1	52.1	0	0	0	0	118.8	N662	S660-N662 PolarHBondContact O-N 3.3Å
661	N	43.7	Very low	53.6	Low	136 Å²	136	111 Å²	111	73%	0.727	59%	0.585	S	S	*	*			trans	-59.8	116.5	167.6	-69.9	-11.5	0	0	0	110.9	E663	N661-E663 VanDerWaalsContact C-N 3.32Å; N661-E663 HydrophobicContact CB-CG 4.04Å; N661-E663 PolarHBondContact O-N 2.68Å
662	N	47.2	Very low	56.1	Low	127 Å²	127	108.6 Å²	108.6	68%	0.679	57%	0.565	S	S	*	*			trans	-72.1	84.9	169.3	-77.6	-30.3	0	0	0	110.4	S660	S660-N662 PolarHBondContact O-N 3.3Å
663	E	58.5	Low	58.8	Low	53 Å²	53	102.6 Å²	102.6	25%	0.248	53%	0.529	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	124.8	172.4	-56.8	-167.1	165.1	0	0	109.8	R602 W647 Y649 N661	R602-E663 WeakPolarHBondContact CD-OE2 3.36Å; R602-E663 IonicContact CZ-OE2 3.82Å; R602-E663 IonicContact NE-OE2 2.64Å; R602-E663 IonicContact NH1-OE1 3.96Å; R602-E663 PolarHBondContact NH1-OE1 3.43Å; R602-E663 IonicContact NH1-OE2 3.83Å; R602-E663 PolarHBondContact NH1-OE2 3.31Å; W647-E663 HydrophobicContact CE3-CB 4.33Å; Y649-E663 HydrophobicContact CE1-CG 4.39Å; Y649-E663 WeakPolarHBondContact CE1-OE1 3.34Å; N661-E663 VanDerWaalsContact C-N 3.32Å; N661-E663 HydrophobicContact CB-CG 4.04Å; N661-E663 PolarHBondContact O-N 2.68Å
664	K	64.9	Low	61.6	Low	150 Å²	150	97 Å²	97	65%	0.652	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.9	119.9	-178.7	-174.1	175.7	-177.3	178.8	0	111	W647 S648	W647-K664 WeakPolarHBondContact CA-O 3.25Å; S648-K664 PolarHBondContact N-O 3.18Å; S648-K664 PolarHBondContact O-N 3.24Å; S648-K664 VanDerWaalsContact O-N 3.08Å; S648-K664 PolarHBondContact OG-O 3.31Å
665	F	74.5	Confident	64.3	Low	78 Å²	78	91.5 Å²	91.5	34%	0.342	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	131	165.9	178.4	-93.6	0	0	0	109.9	D645 W647 N667 R668	D645-F665 HydrophobicContact CB-CE2 3.87Å; W647-F665 HydrophobicContact CD2-CB 4.39Å; W647-F665 HydrophobicContact CD2-CD2 4.4Å; W647-F665 AromaticContact CE2-CD2 3.9Å; W647-F665 HydrophobicContact CE3-CB 4.13Å; W647-F665 HydrophobicContact CH2-CB 4.31Å; W647-F665 AromaticContact CZ2-CD2 3.99Å; W647-F665 HydrophobicContact CZ2-CD2 3.99Å; W647-F665 HydrophobicContact CZ3-CB 4.09Å; F665-N667 VanDerWaalsContact CZ-C 3.44Å; F665-R668 HydrophobicContact CZ-CB 4.02Å
666	L	75.1	Confident	67.1	Low	75 Å²	75	89 Å²	89	39%	0.393	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-60.5	-177.9	-66.9	168.4	0	0	0	111.1	Y646 S648	Y646-L666 WeakPolarHBondContact O-CB 3.23Å; Y646-L666 PolarHBondContact O-N 2.9Å; S648-L666 WeakPolarHBondContact OG-CD2 3.2Å
667	N	84.4	Confident	70	Confident	62 Å²	62	82.8 Å²	82.8	33%	0.332	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	159.1	-178.6	59.8	-21.8	0	0	0	111.6	Y646 F665 Q669	Y646-N667 WeakPolarHBondContact CB-OD1 3.01Å; Y646-N667 WeakPolarHBondContact CD2-OD1 3.44Å; Y646-N667 PolarHBondContact N-O 3.31Å; F665-N667 VanDerWaalsContact CZ-C 3.44Å; N667-Q669 PolarHBondContact ND2-NE2 3.11Å
668	R	85.8	Confident	72.6	Confident	132 Å²	132	80.6 Å²	80.6	50%	0.498	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	138.8	164.4	174.3	173.3	-67.4	175.6	-0.4	108.9	Y643 I644 D645 F665	Y643-R668 HydrophobicContact CD1-CG 4.37Å; I644-R668 CarbonylContact O-C 3.59Å; I644-R668 WeakPolarHBondContact O-CA 3.14Å; D645-R668 WeakPolarHBondContact OD1-CG 3.18Å; D645-R668 IonicContact OD1-CZ 3.33Å; D645-R668 IonicContact OD1-NE 3.12Å; D645-R668 PolarHBondContact OD1-NE 2.72Å; D645-R668 IonicContact OD1-NH2 2.74Å; D645-R668 PolarHBondContact OD1-NH2 2.73Å; D645-R668 IonicContact OD2-CZ 2.64Å; D645-R668 IonicContact OD2-NE 3.5Å; D645-R668 IonicContact OD2-NH2 3.83Å; D645-R668 PolarHBondContact OD2-NH2 3.38Å; F665-R668 HydrophobicContact CZ-CB 4.02Å
669	Q	88.9	Confident	75.2	Confident	62 Å²	62	75.1 Å²	75.1	29%	0.29	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	145.5	172.7	-64.2	-174.2	-24	0	0	110.3	Y643 I644 Y646 N667 Y671 P693	Y643-Q669 WeakPolarHBondContact CA-O 3.33Å; I644-Q669 PolarHBondContact N-O 3.24Å; I644-Q669 PolarHBondContact O-N 3.02Å; Y646-Q669 HydrophobicContact CD2-CG 4.32Å; Y646-Q669 HydrophobicContact CE2-CB 4.07Å; Y646-Q669 HydrophobicContact CE2-CG 3.88Å; N667-Q669 PolarHBondContact ND2-NE2 3.11Å; Q669-Y671 HydrophobicContact CB-CD2 4.43Å; Q669-Y671 HydrophobicContact CB-CE2 3.82Å; Q669-Y671 PolarHBondContact OE1-OH 2.94Å; Q669-Y671 VanDerWaalsContact OE1-OH 3.06Å; Q669-P693 HydrophobicContact CB-CG 4.28Å
670	C	90.4	Very high	77.3	Confident	48 Å²	48	69.9 Å²	69.9	32%	0.324	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	122	178.3	177.3	0	0	0	0	109.7	L642 Y643	L642-C670 WeakPolarHBondContact O-CA 3.44Å; Y643-C670 HydrophobicContact CD1-CB 3.97Å; Y643-C670 HydrophobicContact CE1-CB 3.93Å
671	Y	92.1	Very high	79	Confident	10 Å²	10	69.5 Å²	69.5	4%	0.039	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	142.6	175.7	-69.1	-100.1	0	0	0	109.5	T559 L563 R641 L642 I644 Y646 Q669 V690 Y692 P693	T559-Y671 HydrophobicContact CG2-CE1 4.36Å; T559-Y671 HydrophobicContact CG2-CE2 4.35Å; T559-Y671 WeakPolarHBondContact CG2-OH 3.4Å; L563-Y671 HydrophobicContact CD1-CD1 3.69Å; L563-Y671 HydrophobicContact CD1-CE1 3.8Å; L563-Y671 HydrophobicContact CD1-CG 4.23Å; L563-Y671 HydrophobicContact CD2-CD1 3.84Å; L563-Y671 HydrophobicContact CD2-CD2 4.01Å; L563-Y671 HydrophobicContact CD2-CG 3.53Å; L563-Y671 HydrophobicContact CG-CD1 4.4Å; L563-Y671 HydrophobicContact CG-CG 4.47Å; R641-Y671 WeakPolarHBondContact CA-O 3.25Å; L642-Y671 PolarHBondContact N-O 3.31Å; L642-Y671 PolarHBondContact O-N 2.93Å; I644-Y671 HydrophobicContact CB-CE2 4.44Å; I644-Y671 HydrophobicContact CD1-CD2 3.83Å; I644-Y671 HydrophobicContact CD1-CE2 3.92Å; I644-Y671 HydrophobicContact CG1-CD2 4.37Å; Y646-Y671 PolarHBondContact OH-OH 3.4Å; Q669-Y671 HydrophobicContact CB-CD2 4.43Å; Q669-Y671 HydrophobicContact CB-CE2 3.82Å; Q669-Y671 PolarHBondContact OE1-OH 2.94Å; Q669-Y671 VanDerWaalsContact OE1-OH 3.06Å; Y671-V690 HydrophobicContact CD1-CG1 4.17Å; Y671-Y692 AromaticContact CD1-CD2 3.89Å; Y671-Y692 HydrophobicContact CD1-CD2 3.89Å; Y671-Y692 HydrophobicContact CD1-CE2 4.22Å; Y671-Y692 HydrophobicContact CD1-CG 4.09Å; Y671-Y692 AromaticContact CE1-CD1 3.8Å; Y671-Y692 HydrophobicContact CE1-CD1 3.8Å; Y671-Y692 AromaticContact CE1-CD2 3.89Å; Y671-Y692 HydrophobicContact CE1-CD2 3.89Å; Y671-Y692 HydrophobicContact CE1-CE1 4Å; Y671-Y692 HydrophobicContact CE1-CE2 4.11Å; Y671-Y692 AromaticContact CE1-CG 3.73Å; Y671-Y692 HydrophobicContact CE1-CG 3.73Å; Y671-P693 HydrophobicContact CD1-CG 4.41Å; Y671-P693 HydrophobicContact CE1-CG 4.14Å; Y671-P693 HydrophobicContact CE2-CG 4.28Å
672	I	91.3	Very high	80.5	Confident	38 Å²	38	70.2 Å²	70.2	20%	0.195	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	119.2	178.6	-47.3	173.3	0	0	0	109	V690 R691	I672-V690 CarbonylContact O-C 3.53Å; I672-V690 WeakPolarHBondContact O-CA 3.35Å; I672-R691 HydrophobicContact CB-CB 4.24Å; I672-R691 PolarHBondContact N-O 3.42Å; I672-R691 PolarHBondContact O-N 3.38Å
673	V	90.8	Very high	82.2	Confident	5 Å²	5	65 Å²	65	3%	0.03	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	110	178.1	174.1	0	0	0	0	109	S639 N640 L642 V676 V688 V690	S639-V673 WeakPolarHBondContact CA-O 3.28Å; N640-V673 PolarHBondContact N-O 2.9Å; N640-V673 PolarHBondContact O-N 2.9Å; L642-V673 HydrophobicContact CD1-CB 4.02Å; L642-V673 HydrophobicContact CD1-CG2 3.66Å; L642-V673 HydrophobicContact CD2-CG2 3.99Å; L642-V673 HydrophobicContact CG-CG2 4.35Å; V673-V676 HydrophobicContact CG1-CG2 3.65Å; V673-V688 HydrophobicContact CB-CG1 4.41Å; V673-V688 HydrophobicContact CG1-CG1 3.45Å; V673-V688 VanDerWaalsContact CG1-CG1 3.45Å; V673-V688 HydrophobicContact CG2-CG1 4.15Å; V673-V690 HydrophobicContact CG2-CG1 4.48Å; V673-V690 HydrophobicContact CG2-CG2 4.24Å
674	D	88.9	Confident	83.4	Confident	7 Å²	7	66.8 Å²	66.8	4%	0.037	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-26.4	-173.6	-62.6	-42.4	0	0	0	113.9	S639 M689 R691 Y752 L756	S639-D674 WeakPolarHBondContact CB-OD1 3.33Å; S639-D674 PolarHBondContact OG-OD1 2.77Å; D674-M689 PolarHBondContact N-O 3.38Å; D674-R691 IonicContact OD1-CZ 3.96Å; D674-R691 IonicContact OD1-NE 2.7Å; D674-R691 PolarHBondContact OD1-NE 2.87Å; D674-R691 IonicContact OD1-NH2 3.45Å; D674-R691 PolarHBondContact OD1-NH2 3.18Å; D674-R691 WeakPolarHBondContact OD2-CG 3.36Å; D674-R691 IonicContact OD2-CZ 2.62Å; D674-R691 IonicContact OD2-NE 3.68Å; D674-R691 PolarHBondContact OD2-NE 3.12Å; D674-R691 IonicContact OD2-NH2 2.64Å; D674-Y752 HydrophobicContact CB-CE1 4.48Å; D674-Y752 WeakPolarHBondContact OD2-CE1 3.28Å; D674-Y752 PolarHBondContact OD2-OH 2.69Å; D674-L756 HydrophobicContact CB-CD1 4.12Å; D674-L756 HydrophobicContact CB-CD2 3.96Å
675	A	88	Confident	84.6	Confident	11 Å²	11	60.2 Å²	60.2	9%	0.091	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	134.3	175.3	0	0	0	0	0	111	L677 M689 L756 L759	A675-L677 HydrophobicContact CB-CD1 4.23Å; A675-M689 HydrophobicContact CB-CB 4.16Å; A675-M689 HydrophobicContact CB-CG 4.23Å; A675-M689 HydrophobicContact CB-SD 4.04Å; A675-M689 PolarHBondContact O-N 2.88Å; A675-L756 HydrophobicContact CB-CD1 3.95Å; A675-L759 HydrophobicContact CB-CD1 4.47Å; A675-L759 HydrophobicContact CB-CD2 4.38Å
676	V	88.5	Confident	85.4	Confident	64 Å²	64	56.6 Å²	56.6	39%	0.388	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	115.4	168.9	178.1	0	0	0	0	107.8	V673 E678 M686 V688	V673-V676 HydrophobicContact CG1-CG2 3.65Å; V676-E678 HydrophobicContact CG1-CG 4.46Å; V676-E678 PolarHBondContact O-N 2.85Å; V676-M686 HydrophobicContact CG1-CE 3.44Å; V676-M686 VanDerWaalsContact CG1-CE 3.44Å; V676-V688 HydrophobicContact CG2-CG1 4.32Å
677	L	90.4	Very high	86.3	Confident	1 Å²	1	53 Å²	53	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	93.3	171.4	-66.1	65.9	0	0	0	106.6	A675 R683 S687 M689 L759 Y778 I781	A675-L677 HydrophobicContact CB-CD1 4.23Å; L677-R683 PolarHBondContact O-NH2 2.97Å; L677-S687 WeakPolarHBondContact CA-O 3.29Å; L677-S687 WeakPolarHBondContact CB-O 3.28Å; L677-S687 PolarHBondContact N-O 3.45Å; L677-S687 PolarHBondContact O-N 3.4Å; L677-M689 HydrophobicContact CD1-CG 4.42Å; L677-L759 HydrophobicContact CD1-CD1 3.85Å; L677-L759 HydrophobicContact CD2-CD1 4.48Å; L677-L759 HydrophobicContact CG-CD1 4.05Å; L677-Y778 HydrophobicContact CB-CE1 4.42Å; L677-Y778 HydrophobicContact CD2-CD1 3.39Å; L677-Y778 HydrophobicContact CD2-CE1 3.87Å; L677-Y778 HydrophobicContact CD2-CG 3.96Å; L677-Y778 HydrophobicContact CG-CD1 3.88Å; L677-Y778 HydrophobicContact CG-CE1 3.8Å; L677-I781 HydrophobicContact CD1-CD1 4.5Å; L677-I781 HydrophobicContact CD2-CB 4.45Å; L677-I781 HydrophobicContact CD2-CD1 4.08Å; L677-I781 HydrophobicContact CD2-CG2 4.12Å
678	E	86.1	Confident	86.7	Confident	147 Å²	147	50.1 Å²	50.1	69%	0.687	25%	0.25	S	C	*	.	P	Polyproline II helix	trans	-51.5	154.8	-176.7	-66.2	-174.9	172.3	0	0	113.8	V676 D680 R683	V676-E678 HydrophobicContact CG1-CG 4.46Å; V676-E678 PolarHBondContact O-N 2.85Å; E678-D680 PolarHBondContact O-N 3.25Å; E678-R683 PolarHBondContact O-NH2 3Å
679	F	83.8	Confident	87.1	Confident	99 Å²	99	43.8 Å²	43.8	43%	0.434	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-62.9	118.9	177.8	178.5	-90.2	0	0	0	111.6	P681 M686	F679-P681 HydrophobicContact CE1-CB 4.36Å; F679-P681 HydrophobicContact CE1-CG 4.1Å; F679-M686 HydrophobicContact CB-CB 4.33Å
680	D	74.9	Confident	87.4	Confident	58 Å²	58	40.9 Å²	40.9	31%	0.31	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-102.6	124.5	169.7	164.3	19.9	0	0	0	109.3	E678 I682 R683 K684	E678-D680 PolarHBondContact O-N 3.25Å; D680-I682 PolarHBondContact O-N 2.8Å; D680-I682 VanDerWaalsContact O-N 3.15Å; D680-I682 WeakPolarHBondContact OD1-CB 3.4Å; D680-I682 PolarHBondContact OD1-N 2.74Å; D680-R683 HydrophobicContact CB-CB 3.78Å; D680-R683 CarbonylContact O-C 3.55Å; D680-R683 PolarHBondContact O-N 2.84Å; D680-R683 VanDerWaalsContact O-N 3.09Å; D680-R683 WeakPolarHBondContact OD2-CB 3.36Å; D680-R683 PolarHBondContact OD2-N 3.41Å; D680-K684 PolarHBondContact O-N 3.32Å
681	P	71.7	Confident	87.5	Confident	97 Å²	97	40.2 Å²	40.2	63%	0.63	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-26	175.7	-26.4	34.8	0	0	0	115.5	F679 K684	F679-P681 HydrophobicContact CE1-CB 4.36Å; F679-P681 HydrophobicContact CE1-CG 4.1Å; P681-K684 WeakPolarHBondContact O-CG 2.77Å
682	I	74.7	Confident	87.4	Confident	150 Å²	150	41.2 Å²	41.2	77%	0.769	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-47.6	175	-56.7	174.5	0	0	0	109.5	D680	D680-I682 PolarHBondContact O-N 2.8Å; D680-I682 VanDerWaalsContact O-N 3.15Å; D680-I682 WeakPolarHBondContact OD1-CB 3.4Å; D680-I682 PolarHBondContact OD1-N 2.74Å
683	R	82.1	Confident	87.3	Confident	18 Å²	18	42.9 Å²	42.9	7%	0.068	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-29.6	178.3	-159.1	-178.9	61.9	167.1	-15.2	114	L677 E678 D680 R685 E782	L677-R683 PolarHBondContact O-NH2 2.97Å; E678-R683 PolarHBondContact O-NH2 3Å; D680-R683 HydrophobicContact CB-CB 3.78Å; D680-R683 CarbonylContact O-C 3.55Å; D680-R683 PolarHBondContact O-N 2.84Å; D680-R683 VanDerWaalsContact O-N 3.09Å; D680-R683 WeakPolarHBondContact OD2-CB 3.36Å; D680-R683 PolarHBondContact OD2-N 3.41Å; R683-R685 HydrophobicContact CG-CG 3.81Å; R683-R685 VanDerWaalsContact CG-CZ 3.42Å; R683-R685 PolarHBondContact NE-O 3.38Å; R683-R685 VanDerWaalsContact NE-O 3.11Å; R683-R685 PolarHBondContact NH2-O 2.94Å; R683-R685 PolarHBondContact O-N 3.4Å; R683-R685 PolarHBondContact O-NH1 3.23Å; R683-R685 VanDerWaalsContact O-NH1 3.17Å; R683-E782 IonicContact CZ-OE1 2.73Å; R683-E782 VanDerWaalsContact CZ-OE1 3.3Å; R683-E782 IonicContact NE-OE1 2.61Å; R683-E782 IonicContact NH1-OE1 2.63Å; R683-E782 PolarHBondContact NH1-OE1 3.34Å; R683-E782 IonicContact NH1-OE2 3.5Å
684	K	85.2	Confident	87.1	Confident	90 Å²	90	47.8 Å²	47.8	39%	0.391	25%	0.246	S	C	.	.			trans	54.4	24.8	-177.2	-47.8	179.4	-170.6	168.1	0	116.5	D680 P681 G703 A704 T707	D680-K684 PolarHBondContact O-N 3.32Å; P681-K684 WeakPolarHBondContact O-CG 2.77Å; K684-G703 WeakPolarHBondContact O-CA 3.28Å; K684-A704 HydrophobicContact CB-CB 4.22Å; K684-A704 HydrophobicContact CD-CB 4.41Å; K684-A704 PolarHBondContact O-N 3.33Å; K684-T707 HydrophobicContact CB-CG2 3.88Å; K684-T707 HydrophobicContact CD-CG2 3.94Å; K684-T707 HydrophobicContact CG-CG2 4.25Å
685	R	89.6	Confident	87	Confident	13 Å²	13	50 Å²	50	5%	0.049	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	158.3	175.8	58.1	-177.8	179.5	-84	1.7	110.7	R683 K702 E782	R683-R685 HydrophobicContact CG-CG 3.81Å; R683-R685 VanDerWaalsContact CG-CZ 3.42Å; R683-R685 PolarHBondContact NE-O 3.38Å; R683-R685 VanDerWaalsContact NE-O 3.11Å; R683-R685 PolarHBondContact NH2-O 2.94Å; R683-R685 PolarHBondContact O-N 3.4Å; R683-R685 PolarHBondContact O-NH1 3.23Å; R683-R685 VanDerWaalsContact O-NH1 3.17Å; R685-K702 CarbonylContact C-O 3.56Å; R685-K702 WeakPolarHBondContact CA-O 3.17Å; R685-K702 VanDerWaalsContact CB-O 3.27Å; R685-K702 WeakPolarHBondContact CB-O 3.3Å; R685-E782 IonicContact CZ-OE2 2.67Å; R685-E782 IonicContact NE-OE1 3.72Å; R685-E782 PolarHBondContact NE-OE1 3.19Å; R685-E782 IonicContact NE-OE2 3.94Å; R685-E782 PolarHBondContact NE-OE2 2.99Å; R685-E782 IonicContact NH2-OE2 2.68Å; R685-E782 PolarHBondContact NH2-OE2 3.45Å
686	M	91.8	Very high	87.2	Confident	1 Å²	1	51 Å²	51	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.3	169.3	-179.5	-163.9	175.8	0	0	107.7	T566 V676 F679 V688 S701 K702	T566-M686 HydrophobicContact CG2-CE 3.55Å; T566-M686 HydrophobicContact CG2-SD 4.16Å; V676-M686 HydrophobicContact CG1-CE 3.44Å; V676-M686 VanDerWaalsContact CG1-CE 3.44Å; F679-M686 HydrophobicContact CB-CB 4.33Å; M686-V688 HydrophobicContact CE-CG2 3.72Å; M686-S701 WeakPolarHBondContact O-CA 3.47Å; M686-K702 HydrophobicContact CB-CG 4.29Å; M686-K702 PolarHBondContact N-O 2.94Å; M686-K702 PolarHBondContact O-N 3.5Å; M686-K702 WeakPolarHBondContact SD-CE 3.49Å
687	S	93.2	Very high	87.4	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	145.2	179.1	-54.3	0	0	0	0	110.9	L677 L700 S701 E782	L677-S687 WeakPolarHBondContact CA-O 3.29Å; L677-S687 WeakPolarHBondContact CB-O 3.28Å; L677-S687 PolarHBondContact N-O 3.45Å; L677-S687 PolarHBondContact O-N 3.4Å; S687-L700 CarbonylContact C-O 3.38Å; S687-L700 WeakPolarHBondContact CA-O 3.29Å; S687-S701 WeakPolarHBondContact OG-CB 3.43Å; S687-S701 PolarHBondContact OG-OG 2.97Å; S687-E782 WeakPolarHBondContact CB-OE1 3.48Å; S687-E782 PolarHBondContact OG-OE1 3.24Å
688	V	93.7	Very high	87.6	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	134.3	-178.9	-172.5	0	0	0	0	109.6	V673 V676 M686 V690 V699 L700	V673-V688 HydrophobicContact CB-CG1 4.41Å; V673-V688 HydrophobicContact CG1-CG1 3.45Å; V673-V688 VanDerWaalsContact CG1-CG1 3.45Å; V673-V688 HydrophobicContact CG2-CG1 4.15Å; V676-V688 HydrophobicContact CG2-CG1 4.32Å; M686-V688 HydrophobicContact CE-CG2 3.72Å; V688-V690 HydrophobicContact CB-CG2 4.24Å; V688-V690 HydrophobicContact CG1-CG2 3.63Å; V688-V699 WeakPolarHBondContact O-CA 3.38Å; V688-L700 PolarHBondContact N-O 2.94Å; V688-L700 PolarHBondContact O-N 3.32Å
689	M	94	Very high	88	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	120	172.7	-62.7	-175.7	65.5	0	0	108.9	D674 A675 L677 V699 Y752 L755 L756 I781	D674-M689 PolarHBondContact N-O 3.38Å; A675-M689 HydrophobicContact CB-CB 4.16Å; A675-M689 HydrophobicContact CB-CG 4.23Å; A675-M689 HydrophobicContact CB-SD 4.04Å; A675-M689 PolarHBondContact O-N 2.88Å; L677-M689 HydrophobicContact CD1-CG 4.42Å; M689-V699 HydrophobicContact CG-CG2 4.39Å; M689-Y752 VanDerWaalsContact C-OH 3.22Å; M689-Y752 HydrophobicContact CB-CE2 3.81Å; M689-Y752 HydrophobicContact CE-CD1 4.27Å; M689-Y752 HydrophobicContact CE-CD2 3.71Å; M689-Y752 HydrophobicContact CE-CE1 4.24Å; M689-Y752 HydrophobicContact CE-CE2 3.69Å; M689-Y752 HydrophobicContact CE-CG 4.04Å; M689-Y752 PolarHBondContact O-OH 3.07Å; M689-L755 HydrophobicContact CE-CB 4.27Å; M689-L756 HydrophobicContact CE-CB 4.28Å; M689-I781 HydrophobicContact CG-CG2 4.39Å; M689-I781 HydrophobicContact SD-CD1 3.93Å; M689-I781 HydrophobicContact SD-CG1 4.29Å; M689-I781 HydrophobicContact SD-CG2 4.34Å
690	V	93.7	Very high	88.5	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	136	-170.7	-167.6	0	0	0	0	111.6	L563 Y671 I672 V673 V688 Y692 Y698 L700 Y752	L563-V690 HydrophobicContact CD1-CG1 4.42Å; L563-V690 HydrophobicContact CD2-CG1 4.34Å; Y671-V690 HydrophobicContact CD1-CG1 4.17Å; I672-V690 CarbonylContact O-C 3.53Å; I672-V690 WeakPolarHBondContact O-CA 3.35Å; V673-V690 HydrophobicContact CG2-CG1 4.48Å; V673-V690 HydrophobicContact CG2-CG2 4.24Å; V688-V690 HydrophobicContact CB-CG2 4.24Å; V688-V690 HydrophobicContact CG1-CG2 3.63Å; V690-Y692 HydrophobicContact CB-CD2 4.36Å; V690-Y692 HydrophobicContact CB-CE2 4.26Å; V690-Y692 HydrophobicContact CG1-CD2 3.96Å; V690-Y692 HydrophobicContact CG1-CE2 4.06Å; V690-Y698 PolarHBondContact N-O 3.2Å; V690-Y698 PolarHBondContact O-N 2.86Å; V690-L700 HydrophobicContact CG2-CD1 4.18Å; V690-Y752 PolarHBondContact N-OH 3.01Å
691	R	92.8	Very high	89.3	Confident	35 Å²	35	36.4 Å²	36.4	13%	0.132	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	123.9	161.9	-66.9	-179.3	-88.6	-174.5	-6.4	109.6	E636 I672 D674 Y697	E636-R691 IonicContact OE1-CZ 3.59Å; E636-R691 IonicContact OE1-NH1 2.64Å; E636-R691 PolarHBondContact OE1-NH1 3.33Å; E636-R691 IonicContact OE1-NH2 2.72Å; E636-R691 PolarHBondContact OE1-NH2 2.88Å; E636-R691 VanDerWaalsContact OE1-NH2 3.07Å; E636-R691 IonicContact OE2-CZ 3.49Å; E636-R691 IonicContact OE2-NH1 3.41Å; E636-R691 IonicContact OE2-NH2 2.79Å; E636-R691 PolarHBondContact OE2-NH2 2.76Å; I672-R691 HydrophobicContact CB-CB 4.24Å; I672-R691 PolarHBondContact N-O 3.42Å; I672-R691 PolarHBondContact O-N 3.38Å; D674-R691 IonicContact OD1-CZ 3.96Å; D674-R691 IonicContact OD1-NE 2.7Å; D674-R691 PolarHBondContact OD1-NE 2.87Å; D674-R691 IonicContact OD1-NH2 3.45Å; D674-R691 PolarHBondContact OD1-NH2 3.18Å; D674-R691 WeakPolarHBondContact OD2-CG 3.36Å; D674-R691 IonicContact OD2-CZ 2.62Å; D674-R691 IonicContact OD2-NE 3.68Å; D674-R691 PolarHBondContact OD2-NE 3.12Å; D674-R691 IonicContact OD2-NH2 2.64Å; R691-Y697 HydrophobicContact CG-CD1 3.77Å; R691-Y697 HydrophobicContact CG-CE1 3.6Å
692	Y	91.2	Very high	90.3	Very high	30 Å²	30	32.3 Å²	32.3	12%	0.118	17%	0.173	C	C	.	.			trans	-86.1	156.4	177.9	-86.8	-138.9	0	0	0	111.2	L563 Y671 V690 D694 G695 T696 Y698	L563-Y692 HydrophobicContact CD1-CE2 3.78Å; Y671-Y692 AromaticContact CD1-CD2 3.89Å; Y671-Y692 HydrophobicContact CD1-CD2 3.89Å; Y671-Y692 HydrophobicContact CD1-CE2 4.22Å; Y671-Y692 HydrophobicContact CD1-CG 4.09Å; Y671-Y692 AromaticContact CE1-CD1 3.8Å; Y671-Y692 HydrophobicContact CE1-CD1 3.8Å; Y671-Y692 AromaticContact CE1-CD2 3.89Å; Y671-Y692 HydrophobicContact CE1-CD2 3.89Å; Y671-Y692 HydrophobicContact CE1-CE1 4Å; Y671-Y692 HydrophobicContact CE1-CE2 4.11Å; Y671-Y692 AromaticContact CE1-CG 3.73Å; Y671-Y692 HydrophobicContact CE1-CG 3.73Å; V690-Y692 HydrophobicContact CB-CD2 4.36Å; V690-Y692 HydrophobicContact CB-CE2 4.26Å; V690-Y692 HydrophobicContact CG1-CD2 3.96Å; V690-Y692 HydrophobicContact CG1-CE2 4.06Å; Y692-D694 WeakPolarHBondContact CB-OD1 3.39Å; Y692-D694 PolarHBondContact O-N 3.48Å; Y692-D694 VanDerWaalsContact O-N 3.08Å; Y692-G695 PolarHBondContact O-N 3.22Å; Y692-T696 PolarHBondContact N-O 3.47Å; Y692-Y698 HydrophobicContact CD1-CD2 4.02Å; Y692-Y698 AromaticContact CD1-CE2 3.93Å; Y692-Y698 HydrophobicContact CD1-CE2 3.93Å; Y692-Y698 AromaticContact CD2-CD2 3.6Å; Y692-Y698 HydrophobicContact CD2-CD2 3.6Å; Y692-Y698 HydrophobicContact CD2-CE2 4.33Å; Y692-Y698 HydrophobicContact CE1-CD2 4.05Å; Y692-Y698 HydrophobicContact CE1-CE2 4.06Å; Y692-Y698 AromaticContact CE2-CD2 3.62Å; Y692-Y698 HydrophobicContact CE2-CD2 3.62Å; Y692-Y698 HydrophobicContact CE2-CE2 4.43Å; Y692-Y698 HydrophobicContact CE2-CG 4.24Å; Y692-Y698 AromaticContact CG-CD2 3.81Å; Y692-Y698 HydrophobicContact CG-CD2 3.81Å; Y692-Y698 HydrophobicContact CG-CE2 4.09Å; Y692-Y698 AromaticContact CZ-CD2 3.85Å
693	P	87.4	Confident	91.1	Very high	73 Å²	73	25.3 Å²	25.3	47%	0.474	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-19.9	178.1	-23.1	29.8	0	0	0	115.2	Q669 Y671 G695	Q669-P693 HydrophobicContact CB-CG 4.28Å; Y671-P693 HydrophobicContact CD1-CG 4.41Å; Y671-P693 HydrophobicContact CE1-CG 4.14Å; Y671-P693 HydrophobicContact CE2-CG 4.28Å; P693-G695 VanDerWaalsContact C-N 3.3Å
694	D	87.1	Confident	91.3	Very high	108 Å²	108	25.5 Å²	25.5	58%	0.578	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	1.9	178.5	63.9	3.5	0	0	0	113.8	Y692 T696	Y692-D694 WeakPolarHBondContact CB-OD1 3.39Å; Y692-D694 PolarHBondContact O-N 3.48Å; Y692-D694 VanDerWaalsContact O-N 3.08Å; D694-T696 WeakPolarHBondContact OD1-CB 3.42Å; D694-T696 WeakPolarHBondContact OD1-CG2 3.43Å; D694-T696 PolarHBondContact OD1-N 3.4Å; D694-T696 PolarHBondContact OD1-OG1 3.19Å; D694-T696 PolarHBondContact OD2-OG1 3Å
695	G	86.4	Confident	91.3	Very high	53 Å²	53	24.2 Å²	24.2	55%	0.546	14%	0.139	S	C	.	.	S	Bend	trans	83.4	6.9	-178.1	0	0	0	0	0	114.6	Y692 P693 Y697	Y692-G695 PolarHBondContact O-N 3.22Å; P693-G695 VanDerWaalsContact C-N 3.3Å; G695-Y697 WeakPolarHBondContact O-CD2 3.41Å; G695-Y697 VanDerWaalsContact O-CE2 3.25Å; G695-Y697 WeakPolarHBondContact O-CE2 3.49Å
696	T	92.3	Very high	91	Very high	32 Å²	32	26.8 Å²	26.8	20%	0.196	16%	0.159	C	C	.	.			trans	-87.5	156.2	175.4	66	0	0	0	0	112.7	Y692 D694 Y698	Y692-T696 PolarHBondContact N-O 3.47Å; D694-T696 WeakPolarHBondContact OD1-CB 3.42Å; D694-T696 WeakPolarHBondContact OD1-CG2 3.43Å; D694-T696 PolarHBondContact OD1-N 3.4Å; D694-T696 PolarHBondContact OD1-OG1 3.19Å; D694-T696 PolarHBondContact OD2-OG1 3Å; T696-Y698 WeakPolarHBondContact OG1-CE2 3.41Å
697	Y	93.9	Very high	90.6	Very high	33 Å²	33	27.5 Å²	27.5	13%	0.129	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	121.6	-174.2	-63.7	-100.9	0	0	0	109.6	R691 G695 L747 Q749 Y752	R691-Y697 HydrophobicContact CG-CD1 3.77Å; R691-Y697 HydrophobicContact CG-CE1 3.6Å; G695-Y697 WeakPolarHBondContact O-CD2 3.41Å; G695-Y697 VanDerWaalsContact O-CE2 3.25Å; G695-Y697 WeakPolarHBondContact O-CE2 3.49Å; Y697-L747 PolarHBondContact O-N 3.03Å; Y697-Q749 HydrophobicContact CD2-CB 4.15Å; Y697-Q749 HydrophobicContact CE1-CG 4.19Å; Y697-Q749 HydrophobicContact CE2-CB 3.72Å; Y697-Q749 HydrophobicContact CE2-CG 3.88Å; Y697-Q749 PolarHBondContact OH-NE2 3.08Å; Y697-Y752 AromaticContact CD1-CD1 3.49Å; Y697-Y752 HydrophobicContact CD1-CD1 3.49Å; Y697-Y752 VanDerWaalsContact CD1-CD1 3.49Å; Y697-Y752 AromaticContact CD1-CD2 3.95Å; Y697-Y752 HydrophobicContact CD1-CD2 3.95Å; Y697-Y752 AromaticContact CD1-CE1 3.74Å; Y697-Y752 HydrophobicContact CD1-CE1 3.74Å; Y697-Y752 HydrophobicContact CD1-CE2 4.17Å; Y697-Y752 AromaticContact CD1-CG 3.58Å; Y697-Y752 HydrophobicContact CD1-CG 3.58Å; Y697-Y752 HydrophobicContact CE1-CD1 4.01Å; Y697-Y752 HydrophobicContact CE1-CE1 4.22Å; Y697-Y752 HydrophobicContact CE1-CG 4.48Å; Y697-Y752 HydrophobicContact CG-CD1 4.49Å; Y697-Y752 HydrophobicContact CG-CD2 4.33Å; Y697-Y752 HydrophobicContact CG-CG 4.17Å
698	Y	93.9	Very high	90.3	Very high	28 Å²	28	27.8 Å²	27.8	11%	0.11	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145.1	-178.2	-72	-76.8	0	0	0	112.4	V690 Y692 T696 K744 R745 Q746	V690-Y698 PolarHBondContact N-O 3.2Å; V690-Y698 PolarHBondContact O-N 2.86Å; Y692-Y698 HydrophobicContact CD1-CD2 4.02Å; Y692-Y698 AromaticContact CD1-CE2 3.93Å; Y692-Y698 HydrophobicContact CD1-CE2 3.93Å; Y692-Y698 AromaticContact CD2-CD2 3.6Å; Y692-Y698 HydrophobicContact CD2-CD2 3.6Å; Y692-Y698 HydrophobicContact CD2-CE2 4.33Å; Y692-Y698 HydrophobicContact CE1-CD2 4.05Å; Y692-Y698 HydrophobicContact CE1-CE2 4.06Å; Y692-Y698 AromaticContact CE2-CD2 3.62Å; Y692-Y698 HydrophobicContact CE2-CD2 3.62Å; Y692-Y698 HydrophobicContact CE2-CE2 4.43Å; Y692-Y698 HydrophobicContact CE2-CG 4.24Å; Y692-Y698 AromaticContact CG-CD2 3.81Å; Y692-Y698 HydrophobicContact CG-CD2 3.81Å; Y692-Y698 HydrophobicContact CG-CE2 4.09Å; Y692-Y698 AromaticContact CZ-CD2 3.85Å; T696-Y698 WeakPolarHBondContact OG1-CE2 3.41Å; Y698-K744 HydrophobicContact CE1-CD 4.38Å; Y698-R745 WeakPolarHBondContact CA-O 3.14Å; Y698-Q746 HydrophobicContact CD1-CB 3.97Å; Y698-Q746 HydrophobicContact CD1-CG 4.16Å; Y698-Q746 HydrophobicContact CE1-CB 3.61Å; Y698-Q746 HydrophobicContact CE1-CG 3.63Å
699	V	94.1	Very high	89.9	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	120.5	158	-176.4	0	0	0	0	106.8	V688 M689 K744 R745 L747 I781 M785	V688-V699 WeakPolarHBondContact O-CA 3.38Å; M689-V699 HydrophobicContact CG-CG2 4.39Å; V699-K744 CarbonylContact O-C 3.55Å; V699-K744 WeakPolarHBondContact O-CA 3.31Å; V699-R745 HydrophobicContact CB-CB 4.35Å; V699-R745 PolarHBondContact N-O 2.99Å; V699-R745 PolarHBondContact O-N 3.1Å; V699-L747 HydrophobicContact CG2-CD1 3.65Å; V699-L747 HydrophobicContact CG2-CG 4.38Å; V699-I781 HydrophobicContact CG1-CG2 3.75Å; V699-I781 HydrophobicContact CG2-CG2 4.16Å; V699-M785 HydrophobicContact CG1-CE 4.32Å; V699-M785 HydrophobicContact CG1-SD 4.28Å; V699-M785 WeakPolarHBondContact O-CE 3.43Å
700	L	94.3	Very high	89.5	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	135	175.7	-56.7	179.5	0	0	0	108.4	I560 L563 C564 S687 V688 V690 K744	I560-L700 HydrophobicContact CG1-CD1 4.46Å; I560-L700 HydrophobicContact CG1-CD2 4.15Å; I560-L700 HydrophobicContact CG2-CD1 4.4Å; I560-L700 HydrophobicContact CG2-CD2 4.34Å; L563-L700 HydrophobicContact CB-CD1 3.73Å; L563-L700 HydrophobicContact CD1-CD1 4Å; C564-L700 HydrophobicContact CB-CB 4.24Å; S687-L700 CarbonylContact C-O 3.38Å; S687-L700 WeakPolarHBondContact CA-O 3.29Å; V688-L700 PolarHBondContact N-O 2.94Å; V688-L700 PolarHBondContact O-N 3.32Å; V690-L700 HydrophobicContact CG2-CD1 4.18Å; L700-K744 HydrophobicContact CD2-CB 3.87Å
701	S	93.1	Very high	88.7	Confident	2 Å²	2	34.6 Å²	34.6	1%	0.014	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	142.4	178.6	177.3	0	0	0	0	111.4	M686 S687 F742 A743	M686-S701 WeakPolarHBondContact O-CA 3.47Å; S687-S701 WeakPolarHBondContact OG-CB 3.43Å; S687-S701 PolarHBondContact OG-OG 2.97Å; S701-F742 WeakPolarHBondContact O-CA 3.31Å; S701-A743 PolarHBondContact N-O 3.46Å; S701-A743 PolarHBondContact O-N 2.84Å
702	K	92.6	Very high	88	Confident	11 Å²	11	40.3 Å²	40.3	5%	0.048	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	147.5	171.6	71.5	-175.9	179.9	-174.2	0	110.9	C564 E613 R685 M686 V741 F742	C564-K702 WeakPolarHBondContact O-CD 3.24Å; C564-K702 WeakPolarHBondContact O-CE 3.29Å; C564-K702 PolarHBondContact O-NZ 3.02Å; E613-K702 VanDerWaalsContact CG-NZ 3.31Å; E613-K702 VanDerWaalsContact OE1-CE 3.28Å; E613-K702 WeakPolarHBondContact OE1-CE 3Å; E613-K702 IonicContact OE1-NZ 3.83Å; E613-K702 PolarHBondContact OE1-NZ 2.85Å; E613-K702 IonicContact OE2-NZ 2.65Å; R685-K702 CarbonylContact C-O 3.56Å; R685-K702 WeakPolarHBondContact CA-O 3.17Å; R685-K702 VanDerWaalsContact CB-O 3.27Å; R685-K702 WeakPolarHBondContact CB-O 3.3Å; M686-K702 HydrophobicContact CB-CG 4.29Å; M686-K702 PolarHBondContact N-O 2.94Å; M686-K702 PolarHBondContact O-N 3.5Å; M686-K702 WeakPolarHBondContact SD-CE 3.49Å; K702-V741 WeakPolarHBondContact CA-O 3.42Å; K702-F742 HydrophobicContact CB-CD1 3.84Å; K702-F742 HydrophobicContact CB-CE1 3.64Å; K702-F742 HydrophobicContact CB-CE2 4.32Å; K702-F742 HydrophobicContact CB-CG 4.3Å; K702-F742 HydrophobicContact CB-CZ 3.9Å; K702-F742 HydrophobicContact CD-CE1 4.1Å; K702-F742 HydrophobicContact CD-CZ 4.13Å; K702-F742 HydrophobicContact CG-CE1 4.48Å
703	G	90.1	Very high	87.4	Confident	4 Å²	4	40.4 Å²	40.4	4%	0.041	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.6	-166.8	-178.1	0	0	0	0	0	114.7	K684 I708 V741	K684-G703 WeakPolarHBondContact O-CA 3.28Å; G703-I708 VanDerWaalsContact N-CD1 3.26Å; G703-V741 PolarHBondContact N-O 3.07Å; G703-V741 PolarHBondContact O-N 3.04Å
704	A	86.6	Confident	87.1	Confident	21 Å²	21	36.9 Å²	36.9	17%	0.174	21%	0.212	C	C	.	.			trans	-71.4	142.7	-178.2	0	0	0	0	0	112.5	K684 S706 T707 I708	K684-A704 HydrophobicContact CB-CB 4.22Å; K684-A704 HydrophobicContact CD-CB 4.41Å; K684-A704 PolarHBondContact O-N 3.33Å; A704-S706 VanDerWaalsContact C-N 3.25Å; A704-S706 PolarHBondContact O-N 3.32Å; A704-T707 PolarHBondContact O-N 3.01Å; A704-T707 PolarHBondContact O-OG1 3.29Å; A704-I708 PolarHBondContact O-N 3.38Å; A704-I708 VanDerWaalsContact O-N 3.12Å
705	E	85.1	Confident	86.5	Confident	63 Å²	63	34.7 Å²	34.7	29%	0.294	21%	0.205	S	C	.	.	H	α-helix	trans	-49.3	-44.2	177.6	72.7	-52.3	121.8	0	0	112.6	T707 I708 L709 V729 V741	E705-T707 PolarHBondContact O-N 3.28Å; E705-T707 VanDerWaalsContact O-N 3.13Å; E705-I708 PolarHBondContact O-N 3.18Å; E705-L709 HydrophobicContact CB-CD1 4.22Å; E705-L709 VanDerWaalsContact O-CB 3.31Å; E705-L709 WeakPolarHBondContact O-CB 3.49Å; E705-L709 PolarHBondContact O-N 3.28Å; E705-V729 HydrophobicContact CB-CG1 4.08Å; E705-V729 HydrophobicContact CB-CG2 4.25Å; E705-V729 HydrophobicContact CG-CG1 3.94Å; E705-V741 HydrophobicContact CB-CG2 4.04Å
706	S	82.6	Confident	86	Confident	68 Å²	68	37 Å²	37	48%	0.476	21%	0.209	S	C	.	.	H	α-helix	trans	-67.3	-9.4	-179.3	43.7	0	0	0	0	114.5	A704	A704-S706 VanDerWaalsContact C-N 3.25Å; A704-S706 PolarHBondContact O-N 3.32Å
707	T	84.9	Confident	85.4	Confident	16 Å²	16	35.8 Å²	35.8	10%	0.098	20%	0.202	C	C	.	.	H	α-helix	trans	-116.6	-26.8	179	60.8	0	0	0	0	114.2	K684 A704 E705 K713	K684-T707 HydrophobicContact CB-CG2 3.88Å; K684-T707 HydrophobicContact CD-CG2 3.94Å; K684-T707 HydrophobicContact CG-CG2 4.25Å; A704-T707 PolarHBondContact O-N 3.01Å; A704-T707 PolarHBondContact O-OG1 3.29Å; E705-T707 PolarHBondContact O-N 3.28Å; E705-T707 VanDerWaalsContact O-N 3.13Å; T707-K713 PolarHBondContact O-NZ 2.9Å
708	I	87.3	Confident	84.8	Confident	6 Å²	6	36.6 Å²	36.6	3%	0.031	21%	0.212	C	C	.	.	H	α-helix	trans	-89.1	-46.5	176.4	-69.9	178.7	0	0	0	110.8	G703 A704 E705 D710 C714 V741 A743	G703-I708 VanDerWaalsContact N-CD1 3.26Å; A704-I708 PolarHBondContact O-N 3.38Å; A704-I708 VanDerWaalsContact O-N 3.12Å; E705-I708 PolarHBondContact O-N 3.18Å; I708-D710 PolarHBondContact O-N 3.08Å; I708-C714 PolarHBondContact O-SG 3.26Å; I708-V741 HydrophobicContact CB-CB 4.41Å; I708-V741 HydrophobicContact CB-CG1 4.49Å; I708-V741 HydrophobicContact CD1-CB 4.36Å; I708-V741 WeakPolarHBondContact CD1-O 3.33Å; I708-V741 HydrophobicContact CG2-CB 4.23Å; I708-V741 HydrophobicContact CG2-CG1 3.8Å; I708-A743 HydrophobicContact CG2-CB 3.89Å
709	L	85.4	Confident	84.2	Confident	15 Å²	15	43.2 Å²	43.2	8%	0.079	24%	0.241	C	C	.	.	S	Bend	trans	-78.6	11.2	179.9	-54.3	177.6	0	0	0	113.5	E705 R722 A725 I726 V741 P787	E705-L709 HydrophobicContact CB-CD1 4.22Å; E705-L709 VanDerWaalsContact O-CB 3.31Å; E705-L709 WeakPolarHBondContact O-CB 3.49Å; E705-L709 PolarHBondContact O-N 3.28Å; L709-R722 HydrophobicContact CD2-CG 4.47Å; L709-A725 HydrophobicContact CD1-CB 3.69Å; L709-A725 HydrophobicContact CD2-CB 3.98Å; L709-I726 HydrophobicContact CD1-CG1 3.81Å; L709-V741 HydrophobicContact CD1-CG2 4.48Å; L709-V741 HydrophobicContact CD2-CG1 4.17Å; L709-P787 HydrophobicContact CD2-CB 3.87Å; L709-P787 HydrophobicContact CD2-CG 3.99Å
710	D	84.7	Confident	83.7	Confident	45 Å²	45	50.1 Å²	50.1	24%	0.241	27%	0.268	C	S	.	.			trans	-61.8	124.2	177.3	-172.7	1.5	0	0	0	110.5	I708 E712 K713 C714	I708-D710 PolarHBondContact O-N 3.08Å; D710-E712 PolarHBondContact O-N 2.85Å; D710-E712 VanDerWaalsContact O-N 3.08Å; D710-K713 HydrophobicContact CB-CG 4.49Å; D710-K713 PolarHBondContact O-N 2.81Å; D710-K713 IonicContact OD2-NZ 2.65Å; D710-K713 PolarHBondContact OD2-NZ 3.36Å; D710-C714 PolarHBondContact O-N 2.84Å; D710-C714 VanDerWaalsContact O-N 3.14Å
711	P	77.7	Confident	83.2	Confident	83 Å²	83	51.9 Å²	51.9	54%	0.539	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-30	-175.6	-28.1	35.2	0	0	0	115.3	K713	P711-K713 VanDerWaalsContact C-N 3.32Å
712	E	77.3	Confident	82.8	Confident	155 Å²	155	54.1 Å²	54.1	72%	0.724	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-25.3	178.3	-64	-177	175.9	0	0	113.2	D710	D710-E712 PolarHBondContact O-N 2.85Å; D710-E712 VanDerWaalsContact O-N 3.08Å
713	K	78.3	Confident	82.4	Confident	32 Å²	32	56.8 Å²	56.8	14%	0.139	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-15.7	-177.2	-54.1	-165.6	-156.4	74.5	0	114.2	T707 D710 P711 D784 M785	T707-K713 PolarHBondContact O-NZ 2.9Å; D710-K713 HydrophobicContact CB-CG 4.49Å; D710-K713 PolarHBondContact O-N 2.81Å; D710-K713 IonicContact OD2-NZ 2.65Å; D710-K713 PolarHBondContact OD2-NZ 3.36Å; P711-K713 VanDerWaalsContact C-N 3.32Å; K713-D784 CarbonylContact O-C 3.46Å; K713-D784 WeakPolarHBondContact O-CA 3.46Å; K713-D784 PolarHBondContact O-N 3.46Å; K713-D784 VanDerWaalsContact O-N 3.08Å; K713-M785 PolarHBondContact O-N 2.91Å
714	C	81	Confident	82.2	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.308	C	S	.	.			trans	-121.8	58.1	176.3	-74.1	0	0	0	0	109.7	I708 D710 T717 M785	I708-C714 PolarHBondContact O-SG 3.26Å; D710-C714 PolarHBondContact O-N 2.84Å; D710-C714 VanDerWaalsContact O-N 3.14Å; C714-T717 PolarHBondContact O-N 3.21Å; C714-M785 PolarHBondContact SG-O 2.97Å
715	S	74.7	Confident	82.2	Confident	61 Å²	61	57 Å²	57	43%	0.427	30%	0.3	S	S	.	.	S	Bend	trans	-70.6	-39.5	-170.4	78.7	0	0	0	0	112.4	D784	S715-D784 WeakPolarHBondContact CA-OD1 3.42Å; S715-D784 WeakPolarHBondContact CB-OD1 3.49Å; S715-D784 PolarHBondContact N-OD1 3.3Å; S715-D784 PolarHBondContact OG-OD1 3.39Å
716	T	75.7	Confident	82.3	Confident	102 Å²	102	57.9 Å²	57.9	63%	0.626	31%	0.305	S	S	*	.	S	Bend	trans	-80.5	-16.9	176.2	52.3	0	0	0	0	113.7	S718 D784	T716-S718 PolarHBondContact O-N 3.33Å; T716-D784 WeakPolarHBondContact CB-OD2 3.31Å; T716-D784 WeakPolarHBondContact CG2-OD2 3.39Å; T716-D784 PolarHBondContact N-OD1 2.88Å; T716-D784 PolarHBondContact OG1-OD1 3.06Å; T716-D784 PolarHBondContact OG1-OD2 3.28Å
717	T	79.4	Confident	82.4	Confident	7 Å²	7	60 Å²	60	4%	0.043	31%	0.307	C	S	.	.	S	Bend	trans	-71.7	129.4	-176.4	-55.5	0	0	0	0	111.9	C714 K719 Q721 R722 M785 P787	C714-T717 PolarHBondContact O-N 3.21Å; T717-K719 PolarHBondContact O-N 3.47Å; T717-Q721 HydrophobicContact CG2-CB 4.04Å; T717-R722 HydrophobicContact CG2-CG 3.82Å; T717-R722 PolarHBondContact O-NE 3.01Å; T717-R722 PolarHBondContact O-NH2 3.16Å; T717-M785 PolarHBondContact OG1-O 3.44Å; T717-P787 HydrophobicContact CG2-CG 3.7Å; T717-P787 VanDerWaalsContact OG1-CD 3.24Å; T717-P787 WeakPolarHBondContact OG1-CD 3.38Å
718	S	81.4	Confident	82.5	Confident	49 Å²	49	61 Å²	61	34%	0.343	31%	0.31	S	S	.	.			trans	-54	140.5	179	75.4	0	0	0	0	112.1	T716 Y720 Q721 R722	T716-S718 PolarHBondContact O-N 3.33Å; S718-Y720 PolarHBondContact O-N 3.44Å; S718-Y720 VanDerWaalsContact O-N 3.16Å; S718-Q721 PolarHBondContact O-N 3.2Å; S718-Q721 WeakPolarHBondContact OG-CB 3.03Å; S718-Q721 WeakPolarHBondContact OG-CG 3.34Å; S718-Q721 PolarHBondContact OG-N 3.37Å; S718-Q721 VanDerWaalsContact OG-N 3.09Å; S718-Q721 PolarHBondContact OG-OE1 3.25Å; S718-R722 PolarHBondContact O-N 2.92Å
719	K	82.1	Confident	82.3	Confident	168 Å²	168	61 Å²	61	73%	0.73	31%	0.31	S	S	*	.	H	α-helix	trans	-58.1	-29.1	175	-172.3	178	179.7	-179	0	111.6	T717 S723	T717-K719 PolarHBondContact O-N 3.47Å; K719-S723 WeakPolarHBondContact O-CB 3.36Å; K719-S723 PolarHBondContact O-N 3.24Å; K719-S723 PolarHBondContact O-OG 2.92Å
720	Y	84.3	Confident	82.1	Confident	145 Å²	145	64.6 Å²	64.6	57%	0.569	33%	0.329	S	S	*	.	H	α-helix	trans	-65.5	-55.8	175.9	179.3	-103.1	0	0	0	112.4	E480 S718 R722 S723 R724	E480-Y720 PolarHBondContact OE1-OH 3.24Å; E480-Y720 VanDerWaalsContact OE1-OH 3.07Å; S718-Y720 PolarHBondContact O-N 3.44Å; S718-Y720 VanDerWaalsContact O-N 3.16Å; Y720-R722 VanDerWaalsContact C-N 3.3Å; Y720-R722 PolarHBondContact O-N 3.23Å; Y720-S723 PolarHBondContact O-N 2.98Å; Y720-S723 VanDerWaalsContact O-N 3.08Å; Y720-R724 PolarHBondContact O-N 3.11Å
721	Q	83.3	Confident	81.8	Confident	37 Å²	37	65.7 Å²	65.7	17%	0.173	33%	0.333	C	S	.	.	H	α-helix	trans	-55.8	-44	177.3	-78.2	159.6	-52.9	0	0	111.8	N478 T717 S718 S723 R724 A725	N478-Q721 PolarHBondContact OD1-NE2 3.08Å; T717-Q721 HydrophobicContact CG2-CB 4.04Å; S718-Q721 PolarHBondContact O-N 3.2Å; S718-Q721 WeakPolarHBondContact OG-CB 3.03Å; S718-Q721 WeakPolarHBondContact OG-CG 3.34Å; S718-Q721 PolarHBondContact OG-N 3.37Å; S718-Q721 VanDerWaalsContact OG-N 3.09Å; S718-Q721 PolarHBondContact OG-OE1 3.25Å; Q721-S723 PolarHBondContact O-N 3.16Å; Q721-R724 PolarHBondContact O-N 3.1Å; Q721-A725 WeakPolarHBondContact O-CB 3.47Å; Q721-A725 PolarHBondContact O-N 2.93Å
722	R	83.5	Confident	82	Confident	49 Å²	49	62.5 Å²	62.5	19%	0.185	31%	0.31	C	S	.	.	H	α-helix	trans	-62	-42.7	176.1	-72.2	-173.6	-78	158.6	-13.1	112.7	L709 T717 S718 Y720 R724 A725 I726	L709-R722 HydrophobicContact CD2-CG 4.47Å; T717-R722 HydrophobicContact CG2-CG 3.82Å; T717-R722 PolarHBondContact O-NE 3.01Å; T717-R722 PolarHBondContact O-NH2 3.16Å; S718-R722 PolarHBondContact O-N 2.92Å; Y720-R722 VanDerWaalsContact C-N 3.3Å; Y720-R722 PolarHBondContact O-N 3.23Å; R722-R724 VanDerWaalsContact C-N 3.34Å; R722-A725 PolarHBondContact O-N 2.74Å; R722-I726 WeakPolarHBondContact O-CG1 3.49Å; R722-I726 PolarHBondContact O-N 3.37Å; R722-I726 VanDerWaalsContact O-N 3.08Å
723	S	85.5	Confident	81.7	Confident	66 Å²	66	56.7 Å²	56.7	46%	0.462	29%	0.289	S	S	.	.	H	α-helix	trans	-65.6	-37.5	177.1	-56.1	0	0	0	0	111.9	K719 Y720 Q721 I726 H727	K719-S723 WeakPolarHBondContact O-CB 3.36Å; K719-S723 PolarHBondContact O-N 3.24Å; K719-S723 PolarHBondContact O-OG 2.92Å; Y720-S723 PolarHBondContact O-N 2.98Å; Y720-S723 VanDerWaalsContact O-N 3.08Å; Q721-S723 PolarHBondContact O-N 3.16Å; S723-I726 PolarHBondContact O-N 3.18Å; S723-H727 PolarHBondContact O-N 2.77Å
724	R	85.2	Confident	81.1	Confident	31 Å²	31	61.4 Å²	61.4	12%	0.117	32%	0.315	C	S	.	.	H	α-helix	trans	-71.1	-38.2	176.8	-151.7	-151.3	-59.4	121.9	141.6	112.5	L477 E480 Y720 Q721 R722 I726 H727 Y728	L477-R724 PolarHBondContact O-NH1 3.29Å; L477-R724 PolarHBondContact O-NH2 2.93Å; E480-R724 VanDerWaalsContact CG-NH1 3.31Å; E480-R724 IonicContact OE1-CZ 2.92Å; E480-R724 IonicContact OE1-NE 2.66Å; E480-R724 PolarHBondContact OE1-NE 3.15Å; E480-R724 IonicContact OE1-NH1 3.4Å; E480-R724 PolarHBondContact OE1-NH1 3.22Å; Y720-R724 PolarHBondContact O-N 3.11Å; Q721-R724 PolarHBondContact O-N 3.1Å; R722-R724 VanDerWaalsContact C-N 3.34Å; R724-I726 VanDerWaalsContact C-N 3.32Å; R724-I726 PolarHBondContact O-N 3.13Å; R724-H727 WeakPolarHBondContact O-CB 3.39Å; R724-H727 PolarHBondContact O-N 2.87Å; R724-H727 VanDerWaalsContact O-N 3.15Å; R724-Y728 HydrophobicContact CG-CD2 4.26Å; R724-Y728 HydrophobicContact CG-CE2 3.91Å; R724-Y728 WeakPolarHBondContact O-CD2 3.39Å; R724-Y728 PolarHBondContact O-N 2.79Å; R724-Y728 VanDerWaalsContact O-N 3.12Å
725	A	86.7	Confident	80.4	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-60.4	-43.2	172.7	0	0	0	0	0	111.2	L477 L709 Q721 R722 H727 Y728 V729 V790	L477-A725 HydrophobicContact CD1-CB 3.89Å; L477-A725 HydrophobicContact CD2-CB 3.93Å; L709-A725 HydrophobicContact CD1-CB 3.69Å; L709-A725 HydrophobicContact CD2-CB 3.98Å; Q721-A725 WeakPolarHBondContact O-CB 3.47Å; Q721-A725 PolarHBondContact O-N 2.93Å; R722-A725 PolarHBondContact O-N 2.74Å; A725-H727 VanDerWaalsContact C-N 3.32Å; A725-H727 PolarHBondContact O-N 3.24Å; A725-Y728 PolarHBondContact O-N 3.48Å; A725-V729 WeakPolarHBondContact O-CB 3.48Å; A725-V729 VanDerWaalsContact O-CG2 3.24Å; A725-V729 WeakPolarHBondContact O-CG2 3.26Å; A725-V729 PolarHBondContact O-N 3.27Å; A725-V790 HydrophobicContact CB-CG2 4.19Å
726	I	86.2	Confident	80.1	Confident	81 Å²	81	64.1 Å²	64.1	42%	0.415	33%	0.327	S	S	.	.	H	α-helix	trans	-61.4	-38.8	173.3	-67.5	165.5	0	0	0	111.6	L709 R722 S723 R724 N730	L709-I726 HydrophobicContact CD1-CG1 3.81Å; R722-I726 WeakPolarHBondContact O-CG1 3.49Å; R722-I726 PolarHBondContact O-N 3.37Å; R722-I726 VanDerWaalsContact O-N 3.08Å; S723-I726 PolarHBondContact O-N 3.18Å; R724-I726 VanDerWaalsContact C-N 3.32Å; R724-I726 PolarHBondContact O-N 3.13Å; I726-N730 WeakPolarHBondContact CG2-ND2 2.99Å; I726-N730 WeakPolarHBondContact O-CB 3.01Å; I726-N730 PolarHBondContact O-N 3.5Å; I726-N730 PolarHBondContact O-ND2 3.41Å; I726-N730 VanDerWaalsContact O-ND2 3.09Å
727	H	86.3	Confident	80.2	Confident	111 Å²	111	60 Å²	60	51%	0.514	30%	0.301	S	S	.	.	H	α-helix	trans	-58.3	-57.4	176.2	-178.5	-79	0	0	0	111.9	S723 R724 A725 V729 N730 E731	S723-H727 PolarHBondContact O-N 2.77Å; R724-H727 WeakPolarHBondContact O-CB 3.39Å; R724-H727 PolarHBondContact O-N 2.87Å; R724-H727 VanDerWaalsContact O-N 3.15Å; A725-H727 VanDerWaalsContact C-N 3.32Å; A725-H727 PolarHBondContact O-N 3.24Å; H727-V729 VanDerWaalsContact C-N 3.33Å; H727-V729 PolarHBondContact O-N 3.04Å; H727-N730 PolarHBondContact O-N 2.95Å; H727-N730 VanDerWaalsContact O-N 3.16Å; H727-E731 IonicContact CE1-OE2 3.72Å; H727-E731 IonicContact ND1-OE2 2.77Å; H727-E731 PolarHBondContact O-N 3.24Å
728	Y	85.5	Confident	80.3	Confident	37 Å²	37	62.3 Å²	62.3	15%	0.145	31%	0.309	C	S	.	.	H	α-helix	trans	-64.6	-35.9	-179.7	-70.8	-62.4	0	0	0	112.9	C475 L477 V482 R724 A725 N730 E731 Y732	C475-Y728 HydrophobicContact CB-CD2 4.34Å; C475-Y728 HydrophobicContact CB-CG 4.37Å; C475-Y728 VanDerWaalsContact SG-CD2 3.54Å; C475-Y728 WeakPolarHBondContact SG-CE2 3.35Å; L477-Y728 HydrophobicContact CD2-CD2 4.48Å; V482-Y728 HydrophobicContact CG2-CE1 4.11Å; R724-Y728 HydrophobicContact CG-CD2 4.26Å; R724-Y728 HydrophobicContact CG-CE2 3.91Å; R724-Y728 WeakPolarHBondContact O-CD2 3.39Å; R724-Y728 PolarHBondContact O-N 2.79Å; R724-Y728 VanDerWaalsContact O-N 3.12Å; A725-Y728 PolarHBondContact O-N 3.48Å; Y728-N730 VanDerWaalsContact C-N 3.33Å; Y728-N730 PolarHBondContact O-N 3.25Å; Y728-E731 PolarHBondContact O-N 3.24Å; Y728-Y732 WeakPolarHBondContact O-CB 3.29Å; Y728-Y732 WeakPolarHBondContact O-CD2 3.5Å; Y728-Y732 PolarHBondContact O-N 3.46Å
729	V	84.7	Confident	80.5	Confident	6 Å²	6	61 Å²	61	4%	0.036	30%	0.299	C	S	.	.	H	α-helix	trans	-60	-43.8	173.3	167.1	0	0	0	0	111.2	E705 A725 H727 A733 T739 V741 V790	E705-V729 HydrophobicContact CB-CG1 4.08Å; E705-V729 HydrophobicContact CB-CG2 4.25Å; E705-V729 HydrophobicContact CG-CG1 3.94Å; A725-V729 WeakPolarHBondContact O-CB 3.48Å; A725-V729 VanDerWaalsContact O-CG2 3.24Å; A725-V729 WeakPolarHBondContact O-CG2 3.26Å; A725-V729 PolarHBondContact O-N 3.27Å; H727-V729 VanDerWaalsContact C-N 3.33Å; H727-V729 PolarHBondContact O-N 3.04Å; V729-A733 WeakPolarHBondContact O-CB 3.4Å; V729-A733 PolarHBondContact O-N 2.75Å; V729-T739 HydrophobicContact CG1-CG2 4.33Å; V729-V741 HydrophobicContact CG2-CG2 4.15Å; V729-V790 HydrophobicContact CG2-CG1 3.56Å; V729-V790 HydrophobicContact CG2-CG2 4.21Å
730	N	79.7	Confident	81	Confident	92 Å²	92	54.3 Å²	54.3	49%	0.492	27%	0.271	S	S	.	.	H	α-helix	trans	-66.1	-40.8	176.6	-71.6	-33.1	0	0	0	112.1	I726 H727 Y728 A733 L734	I726-N730 WeakPolarHBondContact CG2-ND2 2.99Å; I726-N730 WeakPolarHBondContact O-CB 3.01Å; I726-N730 PolarHBondContact O-N 3.5Å; I726-N730 PolarHBondContact O-ND2 3.41Å; I726-N730 VanDerWaalsContact O-ND2 3.09Å; H727-N730 PolarHBondContact O-N 2.95Å; H727-N730 VanDerWaalsContact O-N 3.16Å; Y728-N730 VanDerWaalsContact C-N 3.33Å; Y728-N730 PolarHBondContact O-N 3.25Å; N730-A733 PolarHBondContact O-N 3.33Å; N730-L734 WeakPolarHBondContact O-CB 3.29Å; N730-L734 VanDerWaalsContact O-CG 3.26Å; N730-L734 WeakPolarHBondContact O-CG 2.83Å; N730-L734 PolarHBondContact O-N 3.35Å
731	E	79.6	Confident	81.3	Confident	68 Å²	68	47.4 Å²	47.4	32%	0.318	24%	0.244	S	C	.	.	H	α-helix	trans	-64	-48.1	179.2	-168.5	-176	169.1	0	0	111.9	H727 Y728 A733 L734 N735	H727-E731 IonicContact CE1-OE2 3.72Å; H727-E731 IonicContact ND1-OE2 2.77Å; H727-E731 PolarHBondContact O-N 3.24Å; Y728-E731 PolarHBondContact O-N 3.24Å; E731-A733 VanDerWaalsContact C-N 3.34Å; E731-A733 PolarHBondContact O-N 3.21Å; E731-L734 PolarHBondContact O-N 3.47Å; E731-N735 PolarHBondContact O-N 2.85Å; E731-N735 PolarHBondContact O-ND2 3.22Å
732	Y	82.3	Confident	81.8	Confident	16 Å²	16	45.7 Å²	45.7	6%	0.063	24%	0.236	C	C	.	.	H	α-helix	trans	-62.2	-40.4	173.9	-68.2	-43	0	0	0	112	S473 C475 Y728 N735 G736 L737 T739 V790 A792	S473-Y732 PolarHBondContact OG-OH 2.77Å; S473-Y732 VanDerWaalsContact OG-OH 3.04Å; C475-Y732 HydrophobicContact CB-CE2 4.46Å; Y728-Y732 WeakPolarHBondContact O-CB 3.29Å; Y728-Y732 WeakPolarHBondContact O-CD2 3.5Å; Y728-Y732 PolarHBondContact O-N 3.46Å; Y732-N735 CarbonylContact O-C 3.52Å; Y732-N735 PolarHBondContact O-N 2.71Å; Y732-G736 PolarHBondContact O-N 2.84Å; Y732-L737 HydrophobicContact CD1-CD1 4.08Å; Y732-L737 WeakPolarHBondContact O-CB 3.41Å; Y732-L737 PolarHBondContact O-N 3.35Å; Y732-T739 HydrophobicContact CD2-CG2 4.24Å; Y732-T739 HydrophobicContact CG-CG2 4.37Å; Y732-V790 HydrophobicContact CD2-CG1 3.87Å; Y732-V790 HydrophobicContact CE2-CB 4.49Å; Y732-V790 HydrophobicContact CE2-CG1 3.92Å; Y732-A792 HydrophobicContact CD1-CB 3.64Å; Y732-A792 HydrophobicContact CD2-CB 3.8Å; Y732-A792 HydrophobicContact CE1-CB 3.88Å; Y732-A792 HydrophobicContact CE2-CB 4.04Å; Y732-A792 HydrophobicContact CG-CB 3.59Å
733	A	69.3	Low	82.2	Confident	33 Å²	33	43.4 Å²	43.4	27%	0.273	23%	0.228	S	C	.	.	H	α-helix	trans	-66.6	-35	176.9	0	0	0	0	0	113.1	V729 N730 E731 N735 G736	V729-A733 WeakPolarHBondContact O-CB 3.4Å; V729-A733 PolarHBondContact O-N 2.75Å; N730-A733 PolarHBondContact O-N 3.33Å; E731-A733 VanDerWaalsContact C-N 3.34Å; E731-A733 PolarHBondContact O-N 3.21Å; A733-N735 VanDerWaalsContact C-N 3.3Å; A733-N735 PolarHBondContact O-N 2.68Å; A733-G736 WeakPolarHBondContact O-CA 3.23Å; A733-G736 PolarHBondContact O-N 3.2Å
734	L	65.9	Low	82.6	Confident	130 Å²	130	41.9 Å²	41.9	68%	0.681	21%	0.213	S	C	*	.	H	α-helix	trans	-64.7	-34.1	173.7	-77.7	167.9	0	0	0	112.3	N730 E731 G736	N730-L734 WeakPolarHBondContact O-CB 3.29Å; N730-L734 VanDerWaalsContact O-CG 3.26Å; N730-L734 WeakPolarHBondContact O-CG 2.83Å; N730-L734 PolarHBondContact O-N 3.35Å; E731-L734 PolarHBondContact O-N 3.47Å; L734-G736 PolarHBondContact O-N 2.93Å
735	N	68	Low	82.9	Confident	108 Å²	108	42.5 Å²	42.5	58%	0.578	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	2.1	171.8	-68.9	-35.9	0	0	0	113.4	E731 Y732 A733 L737	E731-N735 PolarHBondContact O-N 2.85Å; E731-N735 PolarHBondContact O-ND2 3.22Å; Y732-N735 CarbonylContact O-C 3.52Å; Y732-N735 PolarHBondContact O-N 2.71Å; A733-N735 VanDerWaalsContact C-N 3.3Å; A733-N735 PolarHBondContact O-N 2.68Å; N735-L737 HydrophobicContact CB-CD1 4.48Å; N735-L737 HydrophobicContact CB-CG 4.43Å
736	G	66.4	Low	83.2	Confident	11 Å²	11	48.3 Å²	48.3	11%	0.113	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	7.2	176.2	0	0	0	0	0	115.5	Y732 A733 L734	Y732-G736 PolarHBondContact O-N 2.84Å; A733-G736 WeakPolarHBondContact O-CA 3.23Å; A733-G736 PolarHBondContact O-N 3.2Å; L734-G736 PolarHBondContact O-N 2.93Å
737	L	79.4	Confident	83.5	Confident	14 Å²	14	45.3 Å²	45.3	7%	0.073	23%	0.227	C	C	.	.			trans	-80.5	144.3	-177.8	-55.3	172.8	0	0	0	111	Y472 Y732 N735 A792 E794	Y472-L737 HydrophobicContact CD1-CD1 3.77Å; Y472-L737 HydrophobicContact CD1-CD2 4.43Å; Y472-L737 HydrophobicContact CE1-CD1 4.29Å; Y472-L737 HydrophobicContact CG-CD1 4.5Å; Y472-L737 HydrophobicContact CG-CD2 4.43Å; Y732-L737 HydrophobicContact CD1-CD1 4.08Å; Y732-L737 WeakPolarHBondContact O-CB 3.41Å; Y732-L737 PolarHBondContact O-N 3.35Å; N735-L737 HydrophobicContact CB-CD1 4.48Å; N735-L737 HydrophobicContact CB-CG 4.43Å; L737-A792 HydrophobicContact CB-CB 4.07Å; L737-A792 HydrophobicContact CD1-CB 3.79Å; L737-E794 HydrophobicContact CD2-CB 3.74Å; L737-E794 HydrophobicContact CD2-CG 4.02Å
738	R	80.2	Confident	83.8	Confident	56 Å²	56	43.8 Å²	43.8	21%	0.211	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	129.9	172.9	-61	-179.1	-180	-148.1	-0.5	108.9	M469 A792 I793 D795 D821 T825	M469-R738 VanDerWaalsContact CE-CZ 3.49Å; R738-A792 WeakPolarHBondContact O-CA 3.48Å; R738-I793 HydrophobicContact CB-CB 4.33Å; R738-I793 PolarHBondContact N-O 3.12Å; R738-I793 PolarHBondContact O-N 2.93Å; R738-D795 IonicContact CZ-OD2 3.12Å; R738-D795 IonicContact NE-OD2 2.71Å; R738-D795 IonicContact NH2-OD2 2.7Å; R738-D795 PolarHBondContact NH2-OD2 3.15Å; R738-D821 IonicContact NH2-OD2 3.15Å; R738-T825 HydrophobicContact CG-CG2 4.37Å
739	T	87.3	Confident	84.1	Confident	23 Å²	23	47.4 Å²	47.4	14%	0.141	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	139.8	-176.3	48	0	0	0	0	112.3	V729 Y732 T791	V729-T739 HydrophobicContact CG1-CG2 4.33Å; Y732-T739 HydrophobicContact CD2-CG2 4.24Å; Y732-T739 HydrophobicContact CG-CG2 4.37Å; T739-T791 VanDerWaalsContact CA-O 3.3Å; T739-T791 WeakPolarHBondContact CA-O 3.45Å
740	L	90.9	Very high	84.5	Confident	26 Å²	26	51.4 Å²	51.4	14%	0.136	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.9	167.7	-65.1	168.5	0	0	0	109.3	D612 L616 F742 T791 I793	D612-L740 HydrophobicContact CB-CD1 4.47Å; L616-L740 HydrophobicContact CD1-CD1 3.98Å; L740-F742 HydrophobicContact CB-CE2 4.4Å; L740-T791 PolarHBondContact N-O 3.4Å; L740-T791 PolarHBondContact O-N 3.2Å; L740-T791 PolarHBondContact O-OG1 3.12Å; L740-I793 HydrophobicContact CD1-CD1 4Å
741	V	91.9	Very high	85.1	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	135.2	173	-174.1	0	0	0	0	108.1	K702 G703 E705 I708 L709 V729 P787	K702-V741 WeakPolarHBondContact CA-O 3.42Å; G703-V741 PolarHBondContact N-O 3.07Å; G703-V741 PolarHBondContact O-N 3.04Å; E705-V741 HydrophobicContact CB-CG2 4.04Å; I708-V741 HydrophobicContact CB-CB 4.41Å; I708-V741 HydrophobicContact CB-CG1 4.49Å; I708-V741 HydrophobicContact CD1-CB 4.36Å; I708-V741 WeakPolarHBondContact CD1-O 3.33Å; I708-V741 HydrophobicContact CG2-CB 4.23Å; I708-V741 HydrophobicContact CG2-CG1 3.8Å; L709-V741 HydrophobicContact CD1-CG2 4.48Å; L709-V741 HydrophobicContact CD2-CG1 4.17Å; V729-V741 HydrophobicContact CG2-CG2 4.15Å; V741-P787 HydrophobicContact CG1-CB 4.09Å
742	F	93.4	Very high	85.7	Confident	1 Å²	1	47.5 Å²	47.5	0%	0.004	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	134.9	172.2	-77.8	-101.8	0	0	0	110.1	I560 I561 L616 S701 K702 L740 I788 Y789 T791	I560-F742 HydrophobicContact CG2-CD1 3.81Å; I560-F742 HydrophobicContact CG2-CE1 4.42Å; I561-F742 HydrophobicContact CG1-CE1 4.04Å; I561-F742 HydrophobicContact CG1-CE2 4.45Å; I561-F742 HydrophobicContact CG1-CZ 3.81Å; L616-F742 HydrophobicContact CD1-CE2 4.42Å; L616-F742 HydrophobicContact CD1-CZ 3.99Å; L616-F742 HydrophobicContact CD2-CE2 4.34Å; L616-F742 HydrophobicContact CD2-CZ 4.35Å; S701-F742 WeakPolarHBondContact O-CA 3.31Å; K702-F742 HydrophobicContact CB-CD1 3.84Å; K702-F742 HydrophobicContact CB-CE1 3.64Å; K702-F742 HydrophobicContact CB-CE2 4.32Å; K702-F742 HydrophobicContact CB-CG 4.3Å; K702-F742 HydrophobicContact CB-CZ 3.9Å; K702-F742 HydrophobicContact CD-CE1 4.1Å; K702-F742 HydrophobicContact CD-CZ 4.13Å; K702-F742 HydrophobicContact CG-CE1 4.48Å; L740-F742 HydrophobicContact CB-CE2 4.4Å; F742-I788 PolarHBondContact O-N 2.84Å; F742-Y789 HydrophobicContact CB-CD2 4.44Å; F742-Y789 PolarHBondContact N-O 2.88Å; F742-Y789 PolarHBondContact O-N 2.88Å; F742-T791 HydrophobicContact CD2-CG2 3.78Å; F742-T791 HydrophobicContact CE2-CG2 3.63Å
743	A	92	Very high	86.2	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.008	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	147	176.8	0	0	0	0	0	111.2	S701 I708 M785 E786	S701-A743 PolarHBondContact N-O 3.46Å; S701-A743 PolarHBondContact O-N 2.84Å; I708-A743 HydrophobicContact CG2-CB 3.89Å; A743-M785 HydrophobicContact CB-CB 3.91Å; A743-M785 HydrophobicContact CB-CE 4.25Å; A743-M785 WeakPolarHBondContact O-CE 3.37Å; A743-E786 CarbonylContact C-O 3.04Å; A743-E786 WeakPolarHBondContact CA-O 3.36Å; A743-E786 VanDerWaalsContact CB-O 3.29Å; A743-E786 WeakPolarHBondContact CB-O 3.14Å
744	K	92.5	Very high	87.3	Confident	34 Å²	34	55.4 Å²	55.4	15%	0.148	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	157.6	172.8	73.3	-174.7	171.3	-174.5	0	111.3	E556 Y698 V699 L700 E786 I788	E556-K744 IonicContact OE1-NZ 3.8Å; E556-K744 PolarHBondContact OE1-NZ 2.83Å; E556-K744 IonicContact OE2-NZ 3.07Å; Y698-K744 HydrophobicContact CE1-CD 4.38Å; V699-K744 CarbonylContact O-C 3.55Å; V699-K744 WeakPolarHBondContact O-CA 3.31Å; L700-K744 HydrophobicContact CD2-CB 3.87Å; K744-E786 PolarHBondContact N-O 2.72Å; K744-E786 PolarHBondContact O-N 3.43Å; K744-I788 HydrophobicContact CB-CD1 3.87Å; K744-I788 HydrophobicContact CD-CD1 3.47Å; K744-I788 VanDerWaalsContact CD-CD1 3.47Å; K744-I788 HydrophobicContact CD-CG1 4.38Å; K744-I788 HydrophobicContact CG-CD1 3.52Å; K744-I788 HydrophobicContact CG-CG1 4.11Å
745	R	92.2	Very high	88.5	Confident	44 Å²	44	50 Å²	50	17%	0.166	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	125.7	167.9	177.4	-170.3	-170.9	-169.8	5.7	108.3	Y698 V699 L747 D780 I781 Y783 M785	Y698-R745 WeakPolarHBondContact CA-O 3.14Å; V699-R745 HydrophobicContact CB-CB 4.35Å; V699-R745 PolarHBondContact N-O 2.99Å; V699-R745 PolarHBondContact O-N 3.1Å; R745-L747 HydrophobicContact CG-CD2 4.24Å; R745-L747 HydrophobicContact CG-CG 4.46Å; R745-D780 PolarHBondContact NH1-O 2.98Å; R745-I781 PolarHBondContact NH1-O 2.99Å; R745-Y783 WeakPolarHBondContact CD-O 3.14Å; R745-Y783 PolarHBondContact NE-O 3.46Å; R745-Y783 PolarHBondContact NH1-O 3.36Å; R745-Y783 VanDerWaalsContact NH1-O 3.11Å; R745-M785 HydrophobicContact CB-CE 4.06Å; R745-M785 HydrophobicContact CB-SD 3.49Å; R745-M785 WeakPolarHBondContact CB-SD 3.29Å; R745-M785 HydrophobicContact CG-SD 4.42Å
746	Q	92.4	Very high	89.6	Confident	121 Å²	121	45.2 Å²	45.2	57%	0.565	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	137.2	172.7	-164.2	169.9	-5	0	0	109.2	Y698	Y698-Q746 HydrophobicContact CD1-CB 3.97Å; Y698-Q746 HydrophobicContact CD1-CG 4.16Å; Y698-Q746 HydrophobicContact CE1-CB 3.61Å; Y698-Q746 HydrophobicContact CE1-CG 3.63Å
747	L	92.6	Very high	90.6	Very high	18 Å²	18	51.5 Å²	51.5	9%	0.094	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	152.8	179	-70.6	-179.8	0	0	0	111.3	Y697 V699 R745 I751 Y752 L755	Y697-L747 PolarHBondContact O-N 3.03Å; V699-L747 HydrophobicContact CG2-CD1 3.65Å; V699-L747 HydrophobicContact CG2-CG 4.38Å; R745-L747 HydrophobicContact CG-CD2 4.24Å; R745-L747 HydrophobicContact CG-CG 4.46Å; L747-I751 HydrophobicContact CD2-CG2 3.95Å; L747-Y752 HydrophobicContact CD1-CD2 4.21Å; L747-L755 HydrophobicContact CD1-CD1 3.74Å
748	T	93.8	Very high	91.1	Very high	80 Å²	80	53.5 Å²	53.5	49%	0.491	26%	0.264	S	S	.	.			trans	-77.1	148.7	163.7	58.5	0	0	0	0	109.8	S750 I751 Y752	T748-S750 PolarHBondContact O-N 2.78Å; T748-S750 VanDerWaalsContact O-N 3.17Å; T748-I751 PolarHBondContact O-N 2.87Å; T748-I751 WeakPolarHBondContact OG1-CD1 3.5Å; T748-I751 WeakPolarHBondContact OG1-CG1 3.45Å; T748-Y752 PolarHBondContact O-N 3.24Å
749	Q	91.7	Very high	91.4	Very high	112 Å²	112	52 Å²	52	52%	0.523	26%	0.26	S	S	.	.	H	α-helix	trans	-52.5	-39.6	-177.8	-176.8	177.9	12.6	0	0	113.1	Y697 Y752 M753	Y697-Q749 HydrophobicContact CD2-CB 4.15Å; Y697-Q749 HydrophobicContact CE1-CG 4.19Å; Y697-Q749 HydrophobicContact CE2-CB 3.72Å; Y697-Q749 HydrophobicContact CE2-CG 3.88Å; Y697-Q749 PolarHBondContact OH-NE2 3.08Å; Q749-Y752 PolarHBondContact O-N 3.14Å; Q749-M753 HydrophobicContact CG-CG 4.43Å; Q749-M753 WeakPolarHBondContact O-CB 3.36Å; Q749-M753 WeakPolarHBondContact O-CG 3.17Å; Q749-M753 PolarHBondContact O-N 2.82Å
750	S	92.3	Very high	91.2	Very high	90 Å²	90	54.3 Å²	54.3	63%	0.629	27%	0.269	S	S	*	.	H	α-helix	trans	-66	-39.3	179.5	55.3	0	0	0	0	113.1	T748 K754	T748-S750 PolarHBondContact O-N 2.78Å; T748-S750 VanDerWaalsContact O-N 3.17Å; S750-K754 WeakPolarHBondContact O-CB 3.33Å; S750-K754 PolarHBondContact O-N 2.93Å
751	I	92.8	Very high	90.8	Very high	79 Å²	79	57.9 Å²	57.9	41%	0.405	29%	0.287	S	S	.	.	H	α-helix	trans	-72.2	-44.8	176.1	-62	174.5	0	0	0	110	L747 T748 M753 K754 L755	L747-I751 HydrophobicContact CD2-CG2 3.95Å; T748-I751 PolarHBondContact O-N 2.87Å; T748-I751 WeakPolarHBondContact OG1-CD1 3.5Å; T748-I751 WeakPolarHBondContact OG1-CG1 3.45Å; I751-M753 PolarHBondContact O-N 2.9Å; I751-K754 PolarHBondContact O-N 3.27Å; I751-L755 HydrophobicContact CG2-CD1 3.98Å; I751-L755 HydrophobicContact CG2-CG 4.4Å; I751-L755 WeakPolarHBondContact O-CG 3.1Å; I751-L755 PolarHBondContact O-N 2.78Å
752	Y	92.7	Very high	90.3	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-57.4	-50.3	178.2	-176.3	-84.9	0	0	0	111.8	D674 M689 V690 Y697 L747 T748 Q749 K754 L755 L756	D674-Y752 HydrophobicContact CB-CE1 4.48Å; D674-Y752 WeakPolarHBondContact OD2-CE1 3.28Å; D674-Y752 PolarHBondContact OD2-OH 2.69Å; M689-Y752 VanDerWaalsContact C-OH 3.22Å; M689-Y752 HydrophobicContact CB-CE2 3.81Å; M689-Y752 HydrophobicContact CE-CD1 4.27Å; M689-Y752 HydrophobicContact CE-CD2 3.71Å; M689-Y752 HydrophobicContact CE-CE1 4.24Å; M689-Y752 HydrophobicContact CE-CE2 3.69Å; M689-Y752 HydrophobicContact CE-CG 4.04Å; M689-Y752 PolarHBondContact O-OH 3.07Å; V690-Y752 PolarHBondContact N-OH 3.01Å; Y697-Y752 AromaticContact CD1-CD1 3.49Å; Y697-Y752 HydrophobicContact CD1-CD1 3.49Å; Y697-Y752 VanDerWaalsContact CD1-CD1 3.49Å; Y697-Y752 AromaticContact CD1-CD2 3.95Å; Y697-Y752 HydrophobicContact CD1-CD2 3.95Å; Y697-Y752 AromaticContact CD1-CE1 3.74Å; Y697-Y752 HydrophobicContact CD1-CE1 3.74Å; Y697-Y752 HydrophobicContact CD1-CE2 4.17Å; Y697-Y752 AromaticContact CD1-CG 3.58Å; Y697-Y752 HydrophobicContact CD1-CG 3.58Å; Y697-Y752 HydrophobicContact CE1-CD1 4.01Å; Y697-Y752 HydrophobicContact CE1-CE1 4.22Å; Y697-Y752 HydrophobicContact CE1-CG 4.48Å; Y697-Y752 HydrophobicContact CG-CD1 4.49Å; Y697-Y752 HydrophobicContact CG-CD2 4.33Å; Y697-Y752 HydrophobicContact CG-CG 4.17Å; L747-Y752 HydrophobicContact CD1-CD2 4.21Å; T748-Y752 PolarHBondContact O-N 3.24Å; Q749-Y752 PolarHBondContact O-N 3.14Å; Y752-K754 VanDerWaalsContact C-N 3.34Å; Y752-K754 PolarHBondContact O-N 2.79Å; Y752-L755 PolarHBondContact O-N 3.39Å; Y752-L756 WeakPolarHBondContact O-CB 3.4Å; Y752-L756 PolarHBondContact O-N 2.8Å
753	M	91.6	Very high	89.3	Confident	73 Å²	73	59.8 Å²	59.8	36%	0.36	30%	0.301	S	S	.	.	H	α-helix	trans	-65.2	-34.8	178.5	-72.1	-60.1	-153	0	0	112.8	Q749 I751 L756 K757	Q749-M753 HydrophobicContact CG-CG 4.43Å; Q749-M753 WeakPolarHBondContact O-CB 3.36Å; Q749-M753 WeakPolarHBondContact O-CG 3.17Å; Q749-M753 PolarHBondContact O-N 2.82Å; I751-M753 PolarHBondContact O-N 2.9Å; M753-L756 HydrophobicContact SD-CD2 4.26Å; M753-K757 WeakPolarHBondContact O-CB 3.49Å; M753-K757 PolarHBondContact O-N 2.71Å
754	K	92.7	Very high	88.4	Confident	141 Å²	141	66 Å²	66	61%	0.613	33%	0.334	S	S	*	.	H	α-helix	trans	-63.1	-45.9	173.5	-178.1	-179.3	177.1	-176.9	0	111.5	S750 I751 Y752 K757 N758	S750-K754 WeakPolarHBondContact O-CB 3.33Å; S750-K754 PolarHBondContact O-N 2.93Å; I751-K754 PolarHBondContact O-N 3.27Å; Y752-K754 VanDerWaalsContact C-N 3.34Å; Y752-K754 PolarHBondContact O-N 2.79Å; K754-K757 PolarHBondContact O-N 3.04Å; K754-N758 VanDerWaalsContact O-CG 3.3Å; K754-N758 PolarHBondContact O-N 2.93Å; K754-N758 PolarHBondContact O-OD1 3.2Å
755	L	92.2	Very high	87.6	Confident	16 Å²	16	67.5 Å²	67.5	8%	0.084	34%	0.343	C	S	.	.	H	α-helix	trans	-64.9	-43.5	177.8	-68.9	170.7	0	0	0	111.8	M689 L747 I751 Y752 K757 N758 L759 D780 I781	M689-L755 HydrophobicContact CE-CB 4.27Å; L747-L755 HydrophobicContact CD1-CD1 3.74Å; I751-L755 HydrophobicContact CG2-CD1 3.98Å; I751-L755 HydrophobicContact CG2-CG 4.4Å; I751-L755 WeakPolarHBondContact O-CG 3.1Å; I751-L755 PolarHBondContact O-N 2.78Å; Y752-L755 PolarHBondContact O-N 3.39Å; L755-K757 PolarHBondContact O-N 2.92Å; L755-N758 PolarHBondContact O-N 2.77Å; L755-L759 WeakPolarHBondContact O-CB 3.19Å; L755-L759 PolarHBondContact O-N 3.21Å; L755-D780 HydrophobicContact CD2-CB 3.72Å; L755-I781 HydrophobicContact CB-CG1 3.98Å; L755-I781 HydrophobicContact CD1-CG1 4.24Å; L755-I781 HydrophobicContact CD2-CG1 4.15Å; L755-I781 HydrophobicContact CG-CG1 4.35Å
756	L	89.9	Confident	86.6	Confident	8 Å²	8	71.6 Å²	71.6	4%	0.042	37%	0.368	C	S	.	.	H	α-helix	trans	-61.2	-42.9	176	-175.7	63.3	0	0	0	111.8	D674 A675 M689 Y752 M753 L759 K760	D674-L756 HydrophobicContact CB-CD1 4.12Å; D674-L756 HydrophobicContact CB-CD2 3.96Å; A675-L756 HydrophobicContact CB-CD1 3.95Å; M689-L756 HydrophobicContact CE-CB 4.28Å; Y752-L756 WeakPolarHBondContact O-CB 3.4Å; Y752-L756 PolarHBondContact O-N 2.8Å; M753-L756 HydrophobicContact SD-CD2 4.26Å; L756-L759 PolarHBondContact O-N 2.79Å; L756-K760 WeakPolarHBondContact O-CG 3.38Å; L756-K760 PolarHBondContact O-N 2.92Å
757	K	88.7	Confident	85.7	Confident	143 Å²	143	72.3 Å²	72.3	62%	0.622	38%	0.375	S	S	*	.	H	α-helix	trans	-61.6	-46.1	174.8	-176	176.7	-180	177.6	0	111.6	M753 K754 L755 L759 K760 L761	M753-K757 WeakPolarHBondContact O-CB 3.49Å; M753-K757 PolarHBondContact O-N 2.71Å; K754-K757 PolarHBondContact O-N 3.04Å; L755-K757 PolarHBondContact O-N 2.92Å; K757-L759 VanDerWaalsContact C-N 3.34Å; K757-L759 PolarHBondContact O-N 3.49Å; K757-K760 PolarHBondContact O-N 3.08Å; K757-L761 HydrophobicContact CG-CD1 4.23Å; K757-L761 WeakPolarHBondContact O-CG 3.48Å; K757-L761 PolarHBondContact O-N 2.91Å
758	N	89.7	Confident	85	Confident	56 Å²	56	77.5 Å²	77.5	30%	0.299	40%	0.403	S	S	.	.	H	α-helix	trans	-61.2	-42.6	177.4	-73.1	3.3	0	0	0	111.7	K754 L755 L761 A762	K754-N758 VanDerWaalsContact O-CG 3.3Å; K754-N758 PolarHBondContact O-N 2.93Å; K754-N758 PolarHBondContact O-OD1 3.2Å; L755-N758 PolarHBondContact O-N 2.77Å; N758-L761 PolarHBondContact O-N 2.86Å; N758-A762 WeakPolarHBondContact O-CB 3.29Å; N758-A762 PolarHBondContact O-N 2.66Å
759	L	86.8	Confident	84.2	Confident	24 Å²	24	80.4 Å²	80.4	13%	0.126	41%	0.411	C	S	.	.	H	α-helix	trans	-63.6	-43.7	176.6	-177.2	148.5	0	0	0	112	A675 L677 L755 L756 K757 L761 A762 S763 Y778 I781	A675-L759 HydrophobicContact CB-CD1 4.47Å; A675-L759 HydrophobicContact CB-CD2 4.38Å; L677-L759 HydrophobicContact CD1-CD1 3.85Å; L677-L759 HydrophobicContact CD2-CD1 4.48Å; L677-L759 HydrophobicContact CG-CD1 4.05Å; L755-L759 WeakPolarHBondContact O-CB 3.19Å; L755-L759 PolarHBondContact O-N 3.21Å; L756-L759 PolarHBondContact O-N 2.79Å; K757-L759 VanDerWaalsContact C-N 3.34Å; K757-L759 PolarHBondContact O-N 3.49Å; L759-L761 PolarHBondContact O-N 2.93Å; L759-A762 PolarHBondContact O-N 2.8Å; L759-S763 PolarHBondContact O-N 2.86Å; L759-S763 PolarHBondContact O-OG 3.46Å; L759-Y778 HydrophobicContact CD1-CD1 4.45Å; L759-Y778 HydrophobicContact CD1-CE1 4.12Å; L759-I781 HydrophobicContact CB-CD1 4.38Å; L759-I781 HydrophobicContact CD1-CD1 3.59Å
760	K	82.6	Confident	83.5	Confident	73 Å²	73	80 Å²	80	32%	0.317	41%	0.405	S	S	.	.	H	α-helix	trans	-63	-39.4	175.7	-71.9	-172.3	-177.3	-168.9	0	111.8	T637 L756 K757 S763 N764	T637-K760 PolarHBondContact O-NZ 3.41Å; T637-K760 VanDerWaalsContact O-NZ 3.14Å; L756-K760 WeakPolarHBondContact O-CG 3.38Å; L756-K760 PolarHBondContact O-N 2.92Å; K757-K760 PolarHBondContact O-N 3.08Å; K760-S763 WeakPolarHBondContact CA-OG 3.29Å; K760-S763 PolarHBondContact O-N 2.95Å; K760-S763 PolarHBondContact O-OG 2.87Å; K760-N764 PolarHBondContact O-N 3.15Å
761	L	83.3	Confident	82.8	Confident	101 Å²	101	80.9 Å²	80.9	53%	0.529	40%	0.402	S	S	.	.	H	α-helix	trans	-63.7	-49.2	173.3	-70.8	169.9	0	0	0	111.6	K757 N758 L759 S763 N764	K757-L761 HydrophobicContact CG-CD1 4.23Å; K757-L761 WeakPolarHBondContact O-CG 3.48Å; K757-L761 PolarHBondContact O-N 2.91Å; N758-L761 PolarHBondContact O-N 2.86Å; L759-L761 PolarHBondContact O-N 2.93Å; L761-S763 VanDerWaalsContact C-N 3.28Å; L761-S763 PolarHBondContact O-N 2.93Å; L761-N764 PolarHBondContact O-N 2.85Å; L761-N764 VanDerWaalsContact O-N 3.1Å
762	A	79.6	Confident	82.4	Confident	4 Å²	4	83.3 Å²	83.3	3%	0.033	41%	0.411	C	S	.	.	H	α-helix	trans	-62.4	-31.9	178.7	0	0	0	0	0	113	N758 L759 N764 L765 A773 L774	N758-A762 WeakPolarHBondContact O-CB 3.29Å; N758-A762 PolarHBondContact O-N 2.66Å; L759-A762 PolarHBondContact O-N 2.8Å; A762-N764 VanDerWaalsContact C-N 3.27Å; A762-N764 PolarHBondContact O-N 2.92Å; A762-L765 PolarHBondContact O-N 3.04Å; A762-A773 HydrophobicContact CB-CB 3.84Å; A762-L774 HydrophobicContact CB-CD2 3.82Å; A762-L774 HydrophobicContact CB-CG 4.17Å
763	S	73.5	Confident	82.1	Confident	38 Å²	38	84.4 Å²	84.4	27%	0.266	42%	0.42	S	S	.	.	H	α-helix	trans	-71.2	-18.6	175.9	62.1	0	0	0	0	114.7	L759 K760 L761 R770	L759-S763 PolarHBondContact O-N 2.86Å; L759-S763 PolarHBondContact O-OG 3.46Å; K760-S763 WeakPolarHBondContact CA-OG 3.29Å; K760-S763 PolarHBondContact O-N 2.95Å; K760-S763 PolarHBondContact O-OG 2.87Å; L761-S763 VanDerWaalsContact C-N 3.28Å; L761-S763 PolarHBondContact O-N 2.93Å; S763-R770 PolarHBondContact O-NH1 3.41Å
764	N	73.8	Confident	81.8	Confident	131 Å²	131	82 Å²	82	70%	0.701	41%	0.408	S	S	*	.	H	α-helix	trans	-89.9	-12.4	179.1	-68.3	-8.9	0	0	0	113.1	K760 L761 A762	K760-N764 PolarHBondContact O-N 3.15Å; L761-N764 PolarHBondContact O-N 2.85Å; L761-N764 VanDerWaalsContact O-N 3.1Å; A762-N764 VanDerWaalsContact C-N 3.27Å; A762-N764 PolarHBondContact O-N 2.92Å
765	L	75.9	Confident	81.5	Confident	65 Å²	65	81.7 Å²	81.7	34%	0.34	41%	0.407	S	S	.	.			trans	-69	161.3	172.7	-63.2	175.1	0	0	0	111.4	A762 R770 A773	A762-L765 PolarHBondContact O-N 3.04Å; L765-R770 HydrophobicContact CB-CB 3.88Å; L765-R770 HydrophobicContact CB-CG 4.43Å; L765-R770 WeakPolarHBondContact O-CB 3.33Å; L765-R770 WeakPolarHBondContact O-CD 3.49Å; L765-R770 WeakPolarHBondContact O-CG 3.28Å; L765-A773 HydrophobicContact CD1-CB 3.65Å
766	L	70.5	Confident	81.4	Confident	130 Å²	130	86.2 Å²	86.2	68%	0.681	43%	0.428	S	S	*	.			trans	-111.8	164.4	178.5	-67.5	166.2	0	0	0	111	R770	L766-R770 PolarHBondContact O-N 3.41Å
767	N	74	Confident	81.4	Confident	136 Å²	136	86.5 Å²	86.5	73%	0.727	43%	0.43	S	S	*	.	H	α-helix	trans	50.8	-144	170.8	-54.4	-18.9	0	0	0	114.2	E769 R770	N767-E769 VanDerWaalsContact C-N 3.35Å; N767-E769 PolarHBondContact O-N 2.78Å; N767-R770 WeakPolarHBondContact O-CB 3.39Å; N767-R770 PolarHBondContact O-N 2.65Å
768	D	77.1	Confident	81.5	Confident	128 Å²	128	82.5 Å²	82.5	68%	0.684	41%	0.412	S	S	*	.	H	α-helix	trans	-69.4	-29.1	-173.5	-65.4	-50.6	0	0	0	113.6	R770 I771 H772	D768-R770 VanDerWaalsContact C-N 3.3Å; D768-R770 PolarHBondContact O-N 3.47Å; D768-I771 PolarHBondContact O-N 2.9Å; D768-I771 VanDerWaalsContact O-N 3.07Å; D768-H772 PolarHBondContact O-N 3.37Å
769	E	76.7	Confident	81.4	Confident	141 Å²	141	83.9 Å²	83.9	66%	0.659	42%	0.419	S	S	*	.	H	α-helix	trans	-59	-42.9	175.1	-64.5	-173.1	167.7	0	0	111.3	N767 I771 H772 A773	N767-E769 VanDerWaalsContact C-N 3.35Å; N767-E769 PolarHBondContact O-N 2.78Å; E769-I771 VanDerWaalsContact C-N 3.33Å; E769-I771 PolarHBondContact O-N 3.43Å; E769-H772 PolarHBondContact O-N 2.95Å; E769-A773 WeakPolarHBondContact O-CB 3.43Å; E769-A773 PolarHBondContact O-N 3.39Å
770	R	77.5	Confident	81.6	Confident	104 Å²	104	85.9 Å²	85.9	39%	0.392	43%	0.43	S	S	.	.	H	α-helix	trans	-56.4	-46.1	172.3	-175.3	-162	170	105.2	1.8	111.7	S763 L765 L766 N767 D768 L774	S763-R770 PolarHBondContact O-NH1 3.41Å; L765-R770 HydrophobicContact CB-CB 3.88Å; L765-R770 HydrophobicContact CB-CG 4.43Å; L765-R770 WeakPolarHBondContact O-CB 3.33Å; L765-R770 WeakPolarHBondContact O-CD 3.49Å; L765-R770 WeakPolarHBondContact O-CG 3.28Å; L766-R770 PolarHBondContact O-N 3.41Å; N767-R770 WeakPolarHBondContact O-CB 3.39Å; N767-R770 PolarHBondContact O-N 2.65Å; D768-R770 VanDerWaalsContact C-N 3.3Å; D768-R770 PolarHBondContact O-N 3.47Å; R770-L774 HydrophobicContact CG-CD1 3.82Å; R770-L774 HydrophobicContact CG-CG 4.36Å; R770-L774 VanDerWaalsContact O-CB 3.25Å; R770-L774 WeakPolarHBondContact O-CB 3.45Å; R770-L774 VanDerWaalsContact O-CG 3.24Å; R770-L774 WeakPolarHBondContact O-CG 3.33Å; R770-L774 PolarHBondContact O-N 3.33Å
771	I	77.6	Confident	82.1	Confident	108 Å²	108	82.4 Å²	82.4	55%	0.554	42%	0.415	S	S	*	.	H	α-helix	trans	-65.5	-44	-177.3	-57	176.9	0	0	0	109.9	D768 E769 K775	D768-I771 PolarHBondContact O-N 2.9Å; D768-I771 VanDerWaalsContact O-N 3.07Å; E769-I771 VanDerWaalsContact C-N 3.33Å; E769-I771 PolarHBondContact O-N 3.43Å; I771-K775 VanDerWaalsContact O-CB 3.26Å; I771-K775 WeakPolarHBondContact O-CB 3.24Å; I771-K775 PolarHBondContact O-N 3.42Å
772	H	84.9	Confident	82.4	Confident	129 Å²	129	77.7 Å²	77.7	60%	0.597	39%	0.39	S	S	*	.	H	α-helix	trans	-68.6	-43.7	179.5	-155.7	-72.3	0	0	0	112.3	D768 E769 K775 Q776	D768-H772 PolarHBondContact O-N 3.37Å; E769-H772 PolarHBondContact O-N 2.95Å; H772-K775 PolarHBondContact O-N 3.35Å; H772-Q776 PolarHBondContact O-N 2.95Å
773	A	85.5	Confident	82.8	Confident	23 Å²	23	83.4 Å²	83.4	19%	0.19	41%	0.412	C	S	.	.	H	α-helix	trans	-65.3	-46.4	177.8	0	0	0	0	0	112.1	A762 L765 E769 K775 Q776 C777	A762-A773 HydrophobicContact CB-CB 3.84Å; L765-A773 HydrophobicContact CD1-CB 3.65Å; E769-A773 WeakPolarHBondContact O-CB 3.43Å; E769-A773 PolarHBondContact O-N 3.39Å; A773-K775 VanDerWaalsContact C-N 3.33Å; A773-K775 PolarHBondContact O-N 2.86Å; A773-Q776 PolarHBondContact O-N 3.02Å; A773-C777 PolarHBondContact O-N 3.43Å; A773-C777 PolarHBondContact O-SG 3.43Å; A773-C777 VanDerWaalsContact O-SG 3.34Å
774	L	85.5	Confident	83.6	Confident	22 Å²	22	83.2 Å²	83.2	12%	0.115	41%	0.408	C	S	.	.	H	α-helix	trans	-60.5	-42.9	175.8	-74.6	174.2	0	0	0	111.4	A762 R770 Q776 C777 Y778	A762-L774 HydrophobicContact CB-CD2 3.82Å; A762-L774 HydrophobicContact CB-CG 4.17Å; R770-L774 HydrophobicContact CG-CD1 3.82Å; R770-L774 HydrophobicContact CG-CG 4.36Å; R770-L774 VanDerWaalsContact O-CB 3.25Å; R770-L774 WeakPolarHBondContact O-CB 3.45Å; R770-L774 VanDerWaalsContact O-CG 3.24Å; R770-L774 WeakPolarHBondContact O-CG 3.33Å; R770-L774 PolarHBondContact O-N 3.33Å; L774-Q776 VanDerWaalsContact C-N 3.3Å; L774-Q776 PolarHBondContact O-N 2.91Å; L774-C777 PolarHBondContact O-N 3.46Å; L774-Y778 HydrophobicContact CB-CE1 4.5Å; L774-Y778 HydrophobicContact CB-CE2 4.46Å; L774-Y778 HydrophobicContact CD2-CE1 4.24Å; L774-Y778 WeakPolarHBondContact O-CB 3.5Å; L774-Y778 VanDerWaalsContact O-CD1 3.29Å; L774-Y778 WeakPolarHBondContact O-CD1 3.34Å; L774-Y778 PolarHBondContact O-N 3.19Å
775	K	86.7	Confident	84.3	Confident	135 Å²	135	77.4 Å²	77.4	59%	0.587	38%	0.376	S	S	*	.	H	α-helix	trans	-59.7	-39.7	176.5	-175.9	-177.8	178.2	-171.8	0	112.3	I771 H772 A773 N779	I771-K775 VanDerWaalsContact O-CB 3.26Å; I771-K775 WeakPolarHBondContact O-CB 3.24Å; I771-K775 PolarHBondContact O-N 3.42Å; H772-K775 PolarHBondContact O-N 3.35Å; A773-K775 VanDerWaalsContact C-N 3.33Å; A773-K775 PolarHBondContact O-N 2.86Å; K775-N779 PolarHBondContact O-N 3.05Å
776	Q	89	Confident	84.9	Confident	112 Å²	112	77.7 Å²	77.7	52%	0.523	38%	0.376	S	S	.	.	H	α-helix	trans	-67.1	-50.2	174.5	-175.6	172.8	-7.3	0	0	111.5	H772 A773 L774 Y778 N779 D780	H772-Q776 PolarHBondContact O-N 2.95Å; A773-Q776 PolarHBondContact O-N 3.02Å; L774-Q776 VanDerWaalsContact C-N 3.3Å; L774-Q776 PolarHBondContact O-N 2.91Å; Q776-Y778 VanDerWaalsContact C-N 3.26Å; Q776-Y778 PolarHBondContact O-N 3.35Å; Q776-N779 PolarHBondContact O-N 3.29Å; Q776-N779 VanDerWaalsContact O-N 3.09Å; Q776-D780 PolarHBondContact O-N 3.33Å
777	C	90.3	Very high	85.8	Confident	14 Å²	14	71.5 Å²	71.5	10%	0.095	34%	0.343	C	S	.	.	H	α-helix	trans	-58.5	-36.7	177.9	-66	0	0	0	0	112.9	A773 L774 D780 I781	A773-C777 PolarHBondContact O-N 3.43Å; A773-C777 PolarHBondContact O-SG 3.43Å; A773-C777 VanDerWaalsContact O-SG 3.34Å; L774-C777 PolarHBondContact O-N 3.46Å; C777-D780 PolarHBondContact O-N 3.08Å; C777-I781 WeakPolarHBondContact O-CB 3.35Å; C777-I781 WeakPolarHBondContact O-CD1 3.37Å; C777-I781 VanDerWaalsContact O-CG1 3.25Å; C777-I781 WeakPolarHBondContact O-CG1 3.36Å; C777-I781 PolarHBondContact O-N 2.73Å
778	Y	91	Very high	86.5	Confident	59 Å²	59	65.2 Å²	65.2	23%	0.231	31%	0.31	C	S	.	.	H	α-helix	trans	-64.4	-42.9	175.9	-65.4	-9	0	0	0	111.7	L677 L759 L774 Q776 D780 I781 E782	L677-Y778 HydrophobicContact CB-CE1 4.42Å; L677-Y778 HydrophobicContact CD2-CD1 3.39Å; L677-Y778 HydrophobicContact CD2-CE1 3.87Å; L677-Y778 HydrophobicContact CD2-CG 3.96Å; L677-Y778 HydrophobicContact CG-CD1 3.88Å; L677-Y778 HydrophobicContact CG-CE1 3.8Å; L759-Y778 HydrophobicContact CD1-CD1 4.45Å; L759-Y778 HydrophobicContact CD1-CE1 4.12Å; L774-Y778 HydrophobicContact CB-CE1 4.5Å; L774-Y778 HydrophobicContact CB-CE2 4.46Å; L774-Y778 HydrophobicContact CD2-CE1 4.24Å; L774-Y778 WeakPolarHBondContact O-CB 3.5Å; L774-Y778 VanDerWaalsContact O-CD1 3.29Å; L774-Y778 WeakPolarHBondContact O-CD1 3.34Å; L774-Y778 PolarHBondContact O-N 3.19Å; Q776-Y778 VanDerWaalsContact C-N 3.26Å; Q776-Y778 PolarHBondContact O-N 3.35Å; Y778-D780 PolarHBondContact O-N 3.1Å; Y778-I781 PolarHBondContact O-N 2.88Å; Y778-E782 VanDerWaalsContact O-CB 3.29Å; Y778-E782 WeakPolarHBondContact O-CB 3.49Å; Y778-E782 WeakPolarHBondContact O-CG 3.09Å; Y778-E782 PolarHBondContact O-N 3.38Å
779	N	88.8	Confident	87.1	Confident	84 Å²	84	59.3 Å²	59.3	45%	0.449	28%	0.278	S	S	.	.	H	α-helix	trans	-62.8	-40.7	174.9	-72.9	-15.1	0	0	0	112.1	K775 Q776 I781 E782 Y783	K775-N779 PolarHBondContact O-N 3.05Å; Q776-N779 PolarHBondContact O-N 3.29Å; Q776-N779 VanDerWaalsContact O-N 3.09Å; N779-I781 PolarHBondContact O-N 3.15Å; N779-E782 PolarHBondContact O-N 3.16Å; N779-Y783 WeakPolarHBondContact O-CB 3.19Å; N779-Y783 PolarHBondContact O-N 3.04Å
780	D	90.9	Very high	87.8	Confident	66 Å²	66	52.6 Å²	52.6	35%	0.353	25%	0.247	S	C	.	.	H	α-helix	trans	-64.6	-38.7	178.6	-64.5	-21.3	0	0	0	112.4	R745 L755 Q776 C777 Y778	R745-D780 PolarHBondContact NH1-O 2.98Å; L755-D780 HydrophobicContact CD2-CB 3.72Å; Q776-D780 PolarHBondContact O-N 3.33Å; C777-D780 PolarHBondContact O-N 3.08Å; Y778-D780 PolarHBondContact O-N 3.1Å
781	I	92.1	Very high	88.4	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-68.2	-42.2	176.7	-71.3	164.1	0	0	0	111.1	L677 M689 V699 R745 L755 L759 C777 Y778 N779	L677-I781 HydrophobicContact CD1-CD1 4.5Å; L677-I781 HydrophobicContact CD2-CB 4.45Å; L677-I781 HydrophobicContact CD2-CD1 4.08Å; L677-I781 HydrophobicContact CD2-CG2 4.12Å; M689-I781 HydrophobicContact CG-CG2 4.39Å; M689-I781 HydrophobicContact SD-CD1 3.93Å; M689-I781 HydrophobicContact SD-CG1 4.29Å; M689-I781 HydrophobicContact SD-CG2 4.34Å; V699-I781 HydrophobicContact CG1-CG2 3.75Å; V699-I781 HydrophobicContact CG2-CG2 4.16Å; R745-I781 PolarHBondContact NH1-O 2.99Å; L755-I781 HydrophobicContact CB-CG1 3.98Å; L755-I781 HydrophobicContact CD1-CG1 4.24Å; L755-I781 HydrophobicContact CD2-CG1 4.15Å; L755-I781 HydrophobicContact CG-CG1 4.35Å; L759-I781 HydrophobicContact CB-CD1 4.38Å; L759-I781 HydrophobicContact CD1-CD1 3.59Å; C777-I781 WeakPolarHBondContact O-CB 3.35Å; C777-I781 WeakPolarHBondContact O-CD1 3.37Å; C777-I781 VanDerWaalsContact O-CG1 3.25Å; C777-I781 WeakPolarHBondContact O-CG1 3.36Å; C777-I781 PolarHBondContact O-N 2.73Å; Y778-I781 PolarHBondContact O-N 2.88Å; N779-I781 PolarHBondContact O-N 3.15Å
782	E	89.9	Confident	89	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.009	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	12.2	-172.8	-58.8	171.3	144.3	0	0	113.7	R683 R685 S687 Y778 N779 M785	R683-E782 IonicContact CZ-OE1 2.73Å; R683-E782 VanDerWaalsContact CZ-OE1 3.3Å; R683-E782 IonicContact NE-OE1 2.61Å; R683-E782 IonicContact NH1-OE1 2.63Å; R683-E782 PolarHBondContact NH1-OE1 3.34Å; R683-E782 IonicContact NH1-OE2 3.5Å; R685-E782 IonicContact CZ-OE2 2.67Å; R685-E782 IonicContact NE-OE1 3.72Å; R685-E782 PolarHBondContact NE-OE1 3.19Å; R685-E782 IonicContact NE-OE2 3.94Å; R685-E782 PolarHBondContact NE-OE2 2.99Å; R685-E782 IonicContact NH2-OE2 2.68Å; R685-E782 PolarHBondContact NH2-OE2 3.45Å; S687-E782 WeakPolarHBondContact CB-OE1 3.48Å; S687-E782 PolarHBondContact OG-OE1 3.24Å; Y778-E782 VanDerWaalsContact O-CB 3.29Å; Y778-E782 WeakPolarHBondContact O-CB 3.49Å; Y778-E782 WeakPolarHBondContact O-CG 3.09Å; Y778-E782 PolarHBondContact O-N 3.38Å; N779-E782 PolarHBondContact O-N 3.16Å; E782-M785 WeakPolarHBondContact O-CG 3.49Å
783	Y	88.8	Confident	89.1	Confident	125 Å²	125	36.4 Å²	36.4	49%	0.49	17%	0.173	S	C	.	.	S	Bend	trans	-71.9	137.6	174.3	-179.7	-93.4	0	0	0	111.5	R745 N779	R745-Y783 WeakPolarHBondContact CD-O 3.14Å; R745-Y783 PolarHBondContact NE-O 3.46Å; R745-Y783 PolarHBondContact NH1-O 3.36Å; R745-Y783 VanDerWaalsContact NH1-O 3.11Å; N779-Y783 WeakPolarHBondContact O-CB 3.19Å; N779-Y783 PolarHBondContact O-N 3.04Å
784	D	88.9	Confident	88.9	Confident	34 Å²	34	38.2 Å²	38.2	18%	0.182	18%	0.178	C	C	.	.	S	Bend	trans	49.8	65.5	175.8	-151.4	56	0	0	0	115.8	K713 S715 T716	K713-D784 CarbonylContact O-C 3.46Å; K713-D784 WeakPolarHBondContact O-CA 3.46Å; K713-D784 PolarHBondContact O-N 3.46Å; K713-D784 VanDerWaalsContact O-N 3.08Å; S715-D784 WeakPolarHBondContact CA-OD1 3.42Å; S715-D784 WeakPolarHBondContact CB-OD1 3.49Å; S715-D784 PolarHBondContact N-OD1 3.3Å; S715-D784 PolarHBondContact OG-OD1 3.39Å; T716-D784 WeakPolarHBondContact CB-OD2 3.31Å; T716-D784 WeakPolarHBondContact CG2-OD2 3.39Å; T716-D784 PolarHBondContact N-OD1 2.88Å; T716-D784 PolarHBondContact OG1-OD1 3.06Å; T716-D784 PolarHBondContact OG1-OD2 3.28Å
785	M	88.2	Confident	88.6	Confident	8 Å²	8	37.8 Å²	37.8	4%	0.039	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-90.4	145	175.2	-56.6	-70.6	-58.4	0	0	111.2	V699 K713 C714 T717 A743 R745 E782	V699-M785 HydrophobicContact CG1-CE 4.32Å; V699-M785 HydrophobicContact CG1-SD 4.28Å; V699-M785 WeakPolarHBondContact O-CE 3.43Å; K713-M785 PolarHBondContact O-N 2.91Å; C714-M785 PolarHBondContact SG-O 2.97Å; T717-M785 PolarHBondContact OG1-O 3.44Å; A743-M785 HydrophobicContact CB-CB 3.91Å; A743-M785 HydrophobicContact CB-CE 4.25Å; A743-M785 WeakPolarHBondContact O-CE 3.37Å; R745-M785 HydrophobicContact CB-CE 4.06Å; R745-M785 HydrophobicContact CB-SD 3.49Å; R745-M785 WeakPolarHBondContact CB-SD 3.29Å; R745-M785 HydrophobicContact CG-SD 4.42Å; E782-M785 WeakPolarHBondContact O-CG 3.49Å
786	E	89.3	Confident	88.2	Confident	71 Å²	71	33.7 Å²	33.7	33%	0.332	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	117	172.6	-172.7	-164.9	171.3	0	0	110.4	N478 A743 K744 I788	N478-E786 PolarHBondContact ND2-OE1 2.83Å; A743-E786 CarbonylContact C-O 3.04Å; A743-E786 WeakPolarHBondContact CA-O 3.36Å; A743-E786 VanDerWaalsContact CB-O 3.29Å; A743-E786 WeakPolarHBondContact CB-O 3.14Å; K744-E786 PolarHBondContact N-O 2.72Å; K744-E786 PolarHBondContact O-N 3.43Å; E786-I788 WeakPolarHBondContact O-CG1 3.31Å
787	P	89.5	Confident	88	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	125.1	176.3	31.3	-31.9	0	0	0	111.3	L477 L709 T717 V741	L477-P787 HydrophobicContact CD1-CB 4.23Å; L477-P787 WeakPolarHBondContact CD1-O 3.48Å; L709-P787 HydrophobicContact CD2-CB 3.87Å; L709-P787 HydrophobicContact CD2-CG 3.99Å; T717-P787 HydrophobicContact CG2-CG 3.7Å; T717-P787 VanDerWaalsContact OG1-CD 3.24Å; T717-P787 WeakPolarHBondContact OG1-CD 3.38Å; V741-P787 HydrophobicContact CG1-CB 4.09Å
788	I	88.6	Confident	87.7	Confident	4 Å²	4	30.7 Å²	30.7	2%	0.021	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	-40.2	-170.6	-28.5	161.7	0	0	0	112.5	L476 L477 I560 F742 K744 E786	L476-I788 HydrophobicContact CD1-CG2 4.25Å; L477-I788 VanDerWaalsContact CB-O 3.26Å; L477-I788 WeakPolarHBondContact CB-O 3.49Å; L477-I788 WeakPolarHBondContact CG-O 3.34Å; L477-I788 PolarHBondContact N-O 2.81Å; I560-I788 HydrophobicContact CD1-CD1 3.79Å; F742-I788 PolarHBondContact O-N 2.84Å; K744-I788 HydrophobicContact CB-CD1 3.87Å; K744-I788 HydrophobicContact CD-CD1 3.47Å; K744-I788 VanDerWaalsContact CD-CD1 3.47Å; K744-I788 HydrophobicContact CD-CG1 4.38Å; K744-I788 HydrophobicContact CG-CD1 3.52Å; K744-I788 HydrophobicContact CG-CG1 4.11Å; E786-I788 WeakPolarHBondContact O-CG1 3.31Å
789	Y	89.8	Confident	87.3	Confident	5 Å²	5	29.5 Å²	29.5	2%	0.02	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	147.4	-174	-51.5	-85.8	0	0	0	112.1	C475 L476 D553 F557 I560 F742	C475-Y789 VanDerWaalsContact O-CA 3.31Å; C475-Y789 WeakPolarHBondContact O-CA 3.15Å; L476-Y789 HydrophobicContact CB-CD1 4.04Å; L476-Y789 HydrophobicContact CB-CE1 3.91Å; L476-Y789 HydrophobicContact CD1-CD1 4.03Å; L476-Y789 HydrophobicContact CD1-CE1 3.4Å; L476-Y789 VanDerWaalsContact CD1-CE1 3.4Å; L476-Y789 HydrophobicContact CG-CE1 4.12Å; D553-Y789 PolarHBondContact O-OH 3.11Å; F557-Y789 HydrophobicContact CB-CD1 3.98Å; F557-Y789 HydrophobicContact CB-CD2 4.24Å; F557-Y789 HydrophobicContact CB-CE1 3.51Å; F557-Y789 HydrophobicContact CB-CE2 3.83Å; F557-Y789 HydrophobicContact CB-CG 4.35Å; F557-Y789 VanDerWaalsContact CB-CZ 3.47Å; F557-Y789 AromaticContact CD2-CD1 3.59Å; F557-Y789 HydrophobicContact CD2-CD1 3.59Å; F557-Y789 AromaticContact CD2-CD2 3.43Å; F557-Y789 HydrophobicContact CD2-CD2 3.43Å; F557-Y789 VanDerWaalsContact CD2-CD2 3.43Å; F557-Y789 HydrophobicContact CD2-CE1 4.03Å; F557-Y789 AromaticContact CD2-CE2 3.91Å; F557-Y789 HydrophobicContact CD2-CE2 3.91Å; F557-Y789 AromaticContact CD2-CG 3.31Å; F557-Y789 HydrophobicContact CD2-CG 3.31Å; F557-Y789 HydrophobicContact CE2-CD1 4.24Å; F557-Y789 HydrophobicContact CE2-CD2 4.22Å; F557-Y789 AromaticContact CE2-CG 3.82Å; F557-Y789 HydrophobicContact CE2-CG 3.82Å; F557-Y789 AromaticContact CG-CD1 3.83Å; F557-Y789 HydrophobicContact CG-CD1 3.83Å; F557-Y789 HydrophobicContact CG-CD2 4.21Å; F557-Y789 AromaticContact CG-CE1 3.89Å; F557-Y789 HydrophobicContact CG-CE1 3.89Å; F557-Y789 HydrophobicContact CG-CE2 4.3Å; F557-Y789 HydrophobicContact CG-CG 4.02Å; I560-Y789 HydrophobicContact CD1-CE2 4.29Å; F742-Y789 HydrophobicContact CB-CD2 4.44Å; F742-Y789 PolarHBondContact N-O 2.88Å; F742-Y789 PolarHBondContact O-N 2.88Å
790	V	90.8	Very high	87.1	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.6	165	179.5	0	0	0	0	107.5	C474 C475 L477 A725 V729 Y732	C474-V790 CarbonylContact C-O 3.59Å; C474-V790 VanDerWaalsContact CA-O 3.31Å; C474-V790 WeakPolarHBondContact CA-O 3.45Å; C475-V790 PolarHBondContact N-O 2.86Å; C475-V790 PolarHBondContact O-N 2.91Å; L477-V790 HydrophobicContact CD1-CG2 4.34Å; L477-V790 HydrophobicContact CD2-CG2 4.1Å; L477-V790 HydrophobicContact CG-CG2 4.41Å; A725-V790 HydrophobicContact CB-CG2 4.19Å; V729-V790 HydrophobicContact CG2-CG1 3.56Å; V729-V790 HydrophobicContact CG2-CG2 4.21Å; Y732-V790 HydrophobicContact CD2-CG1 3.87Å; Y732-V790 HydrophobicContact CE2-CB 4.49Å; Y732-V790 HydrophobicContact CE2-CG1 3.92Å
791	T	91.7	Very high	87.1	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	152.7	176.5	67.4	0	0	0	0	111.1	C474 F557 L616 T739 L740 F742	C474-T791 HydrophobicContact CB-CG2 4.23Å; F557-T791 HydrophobicContact CE2-CG2 3.6Å; F557-T791 HydrophobicContact CZ-CG2 3.5Å; L616-T791 HydrophobicContact CD2-CG2 4.31Å; T739-T791 VanDerWaalsContact CA-O 3.3Å; T739-T791 WeakPolarHBondContact CA-O 3.45Å; L740-T791 PolarHBondContact N-O 3.4Å; L740-T791 PolarHBondContact O-N 3.2Å; L740-T791 PolarHBondContact O-OG1 3.12Å; F742-T791 HydrophobicContact CD2-CG2 3.78Å; F742-T791 HydrophobicContact CE2-CG2 3.63Å
792	A	88.3	Confident	87	Confident	0 Å²	0	27 Å²	27	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	114.7	177.3	0	0	0	0	0	109.3	Y472 S473 Y732 L737 R738	Y472-A792 PolarHBondContact N-O 2.84Å; S473-A792 PolarHBondContact N-O 3.01Å; S473-A792 PolarHBondContact O-N 2.79Å; Y732-A792 HydrophobicContact CD1-CB 3.64Å; Y732-A792 HydrophobicContact CD2-CB 3.8Å; Y732-A792 HydrophobicContact CE1-CB 3.88Å; Y732-A792 HydrophobicContact CE2-CB 4.04Å; Y732-A792 HydrophobicContact CG-CB 3.59Å; L737-A792 HydrophobicContact CB-CB 4.07Å; L737-A792 HydrophobicContact CD1-CB 3.79Å; R738-A792 WeakPolarHBondContact O-CA 3.48Å
793	I	86.9	Confident	87	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123.3	-178	-58.1	172.6	0	0	0	108.1	M469 V470 D612 A615 L616 R738 L740	M469-I793 HydrophobicContact CB-CG2 3.86Å; M469-I793 HydrophobicContact SD-CG2 4.36Å; V470-I793 CarbonylContact O-C 3.52Å; V470-I793 VanDerWaalsContact O-CA 3.31Å; V470-I793 WeakPolarHBondContact O-CA 3.46Å; D612-I793 HydrophobicContact CB-CD1 3.84Å; A615-I793 HydrophobicContact CB-CG2 4.29Å; L616-I793 HydrophobicContact CD1-CD1 4.07Å; L616-I793 HydrophobicContact CD2-CD1 4.13Å; L616-I793 HydrophobicContact CG-CD1 3.85Å; R738-I793 HydrophobicContact CB-CB 4.33Å; R738-I793 PolarHBondContact N-O 3.12Å; R738-I793 PolarHBondContact O-N 2.93Å; L740-I793 HydrophobicContact CD1-CD1 4Å
794	E	82	Confident	87.2	Confident	62 Å²	62	25.7 Å²	25.7	29%	0.29	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	133.5	174.1	-170.9	-178.8	-158.4	0	0	110.4	M469 V470 L737 K796	M469-E794 CarbonylContact C-O 3.49Å; M469-E794 VanDerWaalsContact CA-O 3.31Å; M469-E794 WeakPolarHBondContact CA-O 3.45Å; V470-E794 PolarHBondContact N-O 3.38Å; V470-E794 PolarHBondContact O-N 3.25Å; L737-E794 HydrophobicContact CD2-CB 3.74Å; L737-E794 HydrophobicContact CD2-CG 4.02Å; E794-K796 HydrophobicContact CG-CG 4.08Å; E794-K796 WeakPolarHBondContact OE2-CE 3.37Å
795	D	78.5	Confident	87.3	Confident	12 Å²	12	24.1 Å²	24.1	6%	0.064	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	93.5	169.4	-173.5	-6.5	0	0	0	107.5	K460 T465 M469 R738 L797 I829	K460-D795 IonicContact NZ-OD2 2.75Å; T465-D795 WeakPolarHBondContact CB-OD1 3.41Å; T465-D795 WeakPolarHBondContact CG2-OD1 3.39Å; T465-D795 PolarHBondContact OG1-OD1 3.29Å; M469-D795 HydrophobicContact CE-CB 4Å; M469-D795 WeakPolarHBondContact CE-OD1 3.38Å; M469-D795 WeakPolarHBondContact CE-OD2 3.3Å; M469-D795 HydrophobicContact SD-CB 3.73Å; R738-D795 IonicContact CZ-OD2 3.12Å; R738-D795 IonicContact NE-OD2 2.71Å; R738-D795 IonicContact NH2-OD2 2.7Å; R738-D795 PolarHBondContact NH2-OD2 3.15Å; D795-L797 PolarHBondContact O-N 3.44Å; D795-I829 HydrophobicContact CB-CD1 4.43Å; D795-I829 WeakPolarHBondContact OD2-CD1 3.45Å
796	K	79.1	Confident	87.3	Confident	49 Å²	49	29.1 Å²	29.1	21%	0.213	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	127.2	-164.5	-72.4	-166.3	171.5	-177	0	112	T465 Q466 F468 V470 D486 E794	T465-K796 CarbonylContact C-O 3.58Å; T465-K796 WeakPolarHBondContact CA-O 3.21Å; T465-K796 WeakPolarHBondContact CB-O 3.47Å; Q466-K796 PolarHBondContact N-O 3.44Å; F468-K796 HydrophobicContact CD1-CD 4.34Å; F468-K796 PolarHBondContact O-N 3.5Å; F468-K796 VanDerWaalsContact O-N 3.1Å; V470-K796 HydrophobicContact CG2-CD 3.93Å; V470-K796 HydrophobicContact CG2-CG 4.38Å; D486-K796 IonicContact OD2-NZ 3.71Å; D486-K796 PolarHBondContact OD2-NZ 3.46Å; E794-K796 HydrophobicContact CG-CG 4.08Å; E794-K796 WeakPolarHBondContact OE2-CE 3.37Å
797	L	85.1	Confident	87.4	Confident	45 Å²	45	26 Å²	26	24%	0.236	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	149.8	175.4	-64.2	173.7	0	0	0	111.4	L464 T465 Q466 D795 I829 I833	L464-L797 WeakPolarHBondContact O-CA 3.44Å; T465-L797 HydrophobicContact CG2-CD2 4.33Å; Q466-L797 PolarHBondContact NE2-O 3.32Å; D795-L797 PolarHBondContact O-N 3.44Å; L797-I829 HydrophobicContact CD2-CG2 4.21Å; L797-I833 HydrophobicContact CD1-CG2 3.69Å; L797-I833 HydrophobicContact CD2-CG2 3.54Å; L797-I833 HydrophobicContact CG-CG2 4.27Å
798	Q	83.8	Confident	87.5	Confident	18 Å²	18	26 Å²	26	8%	0.084	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-62.8	147.2	168.1	-66.9	-163.1	9.1	0	0	110.7	G462 T463 L464 Q466 G800 V801	G462-Q798 PolarHBondContact O-NE2 3.17Å; T463-Q798 PolarHBondContact O-NE2 2.57Å; L464-Q798 PolarHBondContact O-N 2.79Å; Q466-Q798 HydrophobicContact CG-CB 4.45Å; Q466-Q798 HydrophobicContact CG-CG 4.02Å; Q798-G800 PolarHBondContact O-N 3.13Å; Q798-V801 HydrophobicContact CB-CG2 3.6Å; Q798-V801 VanDerWaalsContact O-CG2 3.24Å; Q798-V801 WeakPolarHBondContact O-CG2 3.32Å; Q798-V801 PolarHBondContact O-N 3.34Å
799	P	83.4	Confident	87.5	Confident	34 Å²	34	29 Å²	29	22%	0.221	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	132.8	-178.2	24.7	-34.5	0	0	0	111.2	V801 E1085 R1087	P799-V801 VanDerWaalsContact C-N 3.31Å; P799-V801 PolarHBondContact O-N 3.06Å; P799-E1085 WeakPolarHBondContact CG-OE1 3.43Å; P799-R1087 WeakPolarHBondContact O-CB 3.44Å
800	G	84.7	Confident	87.4	Confident	32 Å²	32	33 Å²	33	33%	0.33	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	-0.1	176.1	0	0	0	0	0	116.7	Q798 K802 N803 C804	Q798-G800 PolarHBondContact O-N 3.13Å; G800-K802 VanDerWaalsContact C-N 3.34Å; G800-K802 PolarHBondContact O-N 2.98Å; G800-N803 PolarHBondContact O-N 3.15Å; G800-N803 VanDerWaalsContact O-N 3.14Å; G800-C804 PolarHBondContact O-N 3.3Å
801	V	89.9	Confident	87.2	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.012	17%	0.169	C	C	.	.	H	α-helix	trans	-51.4	-49.2	179.2	167.4	0	0	0	0	112.4	L464 Q798 P799 N803 C804 I805 I833 F1086	L464-V801 HydrophobicContact CD2-CG1 3.73Å; Q798-V801 HydrophobicContact CB-CG2 3.6Å; Q798-V801 VanDerWaalsContact O-CG2 3.24Å; Q798-V801 WeakPolarHBondContact O-CG2 3.32Å; Q798-V801 PolarHBondContact O-N 3.34Å; P799-V801 VanDerWaalsContact C-N 3.31Å; P799-V801 PolarHBondContact O-N 3.06Å; V801-N803 VanDerWaalsContact C-N 3.34Å; V801-N803 PolarHBondContact O-N 3.19Å; V801-C804 WeakPolarHBondContact O-CB 3.34Å; V801-C804 PolarHBondContact O-N 3.03Å; V801-C804 VanDerWaalsContact O-N 3.13Å; V801-I805 HydrophobicContact CG1-CG1 4.1Å; V801-I805 WeakPolarHBondContact O-CG1 3.49Å; V801-I805 PolarHBondContact O-N 3.34Å; V801-I833 HydrophobicContact CG1-CB 4.38Å; V801-I833 HydrophobicContact CG1-CG2 3.77Å; V801-F1086 HydrophobicContact CB-CD1 4.35Å; V801-F1086 HydrophobicContact CG1-CD1 4.28Å; V801-F1086 HydrophobicContact CG1-CE1 4.46Å; V801-F1086 HydrophobicContact CG2-CB 3.94Å; V801-F1086 HydrophobicContact CG2-CD1 3.84Å; V801-F1086 HydrophobicContact CG2-CG 4.08Å
802	K	89	Confident	86.8	Confident	63 Å²	63	35.2 Å²	35.2	27%	0.274	19%	0.19	S	C	.	.	H	α-helix	trans	-55.2	-46.9	179.2	-180	175	175.8	166.1	0	112.3	G800 K806 E834	G800-K802 VanDerWaalsContact C-N 3.34Å; G800-K802 PolarHBondContact O-N 2.98Å; K802-K806 WeakPolarHBondContact O-CB 3.3Å; K802-K806 PolarHBondContact O-N 3.36Å; K802-E834 WeakPolarHBondContact CE-OE1 3.37Å; K802-E834 WeakPolarHBondContact CE-OE2 3.35Å; K802-E834 IonicContact NZ-OE1 3.73Å; K802-E834 PolarHBondContact NZ-OE1 3.06Å; K802-E834 IonicContact NZ-OE2 2.71Å
803	N	90.3	Very high	86.8	Confident	98 Å²	98	35.5 Å²	35.5	52%	0.524	19%	0.191	S	C	.	.	H	α-helix	trans	-68.5	-35.5	179	-68.3	-10.6	0	0	0	111.9	G800 V801 A807	G800-N803 PolarHBondContact O-N 3.15Å; G800-N803 VanDerWaalsContact O-N 3.14Å; V801-N803 VanDerWaalsContact C-N 3.34Å; V801-N803 PolarHBondContact O-N 3.19Å; N803-A807 WeakPolarHBondContact O-CB 3.42Å; N803-A807 PolarHBondContact O-N 3.09Å
804	C	92.8	Very high	86.9	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.014	20%	0.196	C	C	.	.	H	α-helix	trans	-64.7	-53.2	174.1	-174.3	0	0	0	0	111.5	G800 V801 K806 A807 L808 F1086 K1090	G800-C804 PolarHBondContact O-N 3.3Å; V801-C804 WeakPolarHBondContact O-CB 3.34Å; V801-C804 PolarHBondContact O-N 3.03Å; V801-C804 VanDerWaalsContact O-N 3.13Å; C804-K806 VanDerWaalsContact C-N 3.3Å; C804-K806 PolarHBondContact O-N 3.22Å; C804-A807 PolarHBondContact O-N 3.14Å; C804-A807 VanDerWaalsContact O-N 3.15Å; C804-L808 VanDerWaalsContact O-CG 3.29Å; C804-L808 WeakPolarHBondContact O-CG 3.28Å; C804-L808 PolarHBondContact O-N 3.32Å; C804-F1086 HydrophobicContact CB-CD1 4.21Å; C804-F1086 HydrophobicContact CB-CE1 4.16Å; C804-K1090 HydrophobicContact CB-CB 4.48Å
805	I	91	Very high	87.4	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-57.2	-42.5	178	-67.3	-65.1	0	0	0	111.3	L464 V801 L808 K809 I815 F1086	L464-I805 HydrophobicContact CD2-CD1 4.39Å; V801-I805 HydrophobicContact CG1-CG1 4.1Å; V801-I805 WeakPolarHBondContact O-CG1 3.49Å; V801-I805 PolarHBondContact O-N 3.34Å; I805-L808 PolarHBondContact O-N 2.91Å; I805-K809 HydrophobicContact CG2-CD 4.38Å; I805-K809 WeakPolarHBondContact O-CB 3.37Å; I805-K809 WeakPolarHBondContact O-CG 3.47Å; I805-K809 PolarHBondContact O-N 3.33Å; I805-I815 HydrophobicContact CD1-CD1 3.84Å; I805-I815 HydrophobicContact CD1-CG2 4.33Å; I805-I815 HydrophobicContact CG2-CD1 4.11Å; I805-F1086 HydrophobicContact CD1-CE1 3.76Å; I805-F1086 HydrophobicContact CD1-CZ 3.74Å; I805-F1086 HydrophobicContact CG1-CE1 4.09Å
806	K	89.9	Confident	88.1	Confident	113 Å²	113	33.2 Å²	33.2	49%	0.491	18%	0.18	S	C	.	.	H	α-helix	trans	-60.9	-50.3	174.7	-177.3	175.9	175	-180	0	111.9	K802 C804 L808 K809 E810	K802-K806 WeakPolarHBondContact O-CB 3.3Å; K802-K806 PolarHBondContact O-N 3.36Å; C804-K806 VanDerWaalsContact C-N 3.3Å; C804-K806 PolarHBondContact O-N 3.22Å; K806-L808 VanDerWaalsContact C-N 3.34Å; K806-L808 PolarHBondContact O-N 3.15Å; K806-K809 WeakPolarHBondContact O-CB 3.31Å; K806-K809 PolarHBondContact O-N 2.85Å; K806-E810 WeakPolarHBondContact CE-OE1 3.42Å; K806-E810 WeakPolarHBondContact CG-OE1 3.3Å; K806-E810 WeakPolarHBondContact O-CG 3.35Å; K806-E810 PolarHBondContact O-N 2.95Å
807	A	90.2	Very high	88.8	Confident	6 Å²	6	31 Å²	31	5%	0.05	17%	0.17	C	C	.	.	H	α-helix	trans	-61.5	-39.6	179.2	0	0	0	0	0	112.8	N803 C804 E810 A811 K1090 L1094 P1173	N803-A807 WeakPolarHBondContact O-CB 3.42Å; N803-A807 PolarHBondContact O-N 3.09Å; C804-A807 PolarHBondContact O-N 3.14Å; C804-A807 VanDerWaalsContact O-N 3.15Å; A807-E810 PolarHBondContact O-N 3.36Å; A807-A811 WeakPolarHBondContact O-CB 3.35Å; A807-A811 PolarHBondContact O-N 3.3Å; A807-K1090 HydrophobicContact CB-CD 4.18Å; A807-K1090 HydrophobicContact CB-CG 4.22Å; A807-L1094 HydrophobicContact CB-CD1 4.15Å; A807-P1173 HydrophobicContact CB-CB 4.23Å; A807-P1173 HydrophobicContact CB-CG 3.72Å; A807-P1173 WeakPolarHBondContact O-CB 3.18Å
808	L	91.5	Very high	89.2	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-68.7	-37.7	177.2	-66.3	171.7	0	0	0	112.2	L456 C804 I805 K806 A811 G812 I813 I815 I1089 F1093	L456-L808 HydrophobicContact CD2-CD1 3.79Å; C804-L808 VanDerWaalsContact O-CG 3.29Å; C804-L808 WeakPolarHBondContact O-CG 3.28Å; C804-L808 PolarHBondContact O-N 3.32Å; I805-L808 PolarHBondContact O-N 2.91Å; K806-L808 VanDerWaalsContact C-N 3.34Å; K806-L808 PolarHBondContact O-N 3.15Å; L808-A811 PolarHBondContact O-N 3.14Å; L808-G812 PolarHBondContact O-N 3.24Å; L808-I813 HydrophobicContact CD2-CD1 3.72Å; L808-I813 WeakPolarHBondContact O-CB 3.48Å; L808-I813 PolarHBondContact O-N 3.25Å; L808-I813 VanDerWaalsContact O-N 3.09Å; L808-I815 HydrophobicContact CB-CD1 3.87Å; L808-I1089 HydrophobicContact CD1-CG2 4.27Å; L808-F1093 HydrophobicContact CD2-CB 4.4Å; L808-F1093 HydrophobicContact CD2-CD2 3.86Å
809	K	88.2	Confident	89.3	Confident	67 Å²	67	28 Å²	28	29%	0.291	16%	0.155	S	C	.	.	H	α-helix	trans	-61.4	-43.4	169.9	-77	177.9	170.8	-169.9	0	111.6	I805 K806 G812 I815 E834 H835	I805-K809 HydrophobicContact CG2-CD 4.38Å; I805-K809 WeakPolarHBondContact O-CB 3.37Å; I805-K809 WeakPolarHBondContact O-CG 3.47Å; I805-K809 PolarHBondContact O-N 3.33Å; K806-K809 WeakPolarHBondContact O-CB 3.31Å; K806-K809 PolarHBondContact O-N 2.85Å; K809-G812 PolarHBondContact O-N 3.28Å; K809-G812 VanDerWaalsContact O-N 3.08Å; K809-I815 HydrophobicContact CG-CD1 4.18Å; K809-E834 PolarHBondContact NZ-O 3.13Å; K809-H835 PolarHBondContact NZ-O 2.88Å
810	E	88.2	Confident	88.8	Confident	89 Å²	89	28.3 Å²	28.3	42%	0.416	17%	0.165	S	C	.	.	H	α-helix	trans	-65.7	-34.9	177.1	-74.1	172.6	-166.4	0	0	113	K806 A807 G812 P1173	K806-E810 WeakPolarHBondContact CE-OE1 3.42Å; K806-E810 WeakPolarHBondContact CG-OE1 3.3Å; K806-E810 WeakPolarHBondContact O-CG 3.35Å; K806-E810 PolarHBondContact O-N 2.95Å; A807-E810 PolarHBondContact O-N 3.36Å; E810-G812 PolarHBondContact O-N 3.26Å; E810-P1173 HydrophobicContact CB-CB 4.05Å; E810-P1173 HydrophobicContact CB-CG 4.42Å
811	A	87.6	Confident	88.2	Confident	3 Å²	3	28.6 Å²	28.6	3%	0.025	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-15.1	170.9	0	0	0	0	0	113.7	A807 L808 I813 L1094 P1173 Y1176	A807-A811 WeakPolarHBondContact O-CB 3.35Å; A807-A811 PolarHBondContact O-N 3.3Å; L808-A811 PolarHBondContact O-N 3.14Å; A811-I813 HydrophobicContact CB-CD1 4.34Å; A811-I813 HydrophobicContact CB-CG1 4.47Å; A811-L1094 HydrophobicContact CB-CD2 3.62Å; A811-P1173 WeakPolarHBondContact CA-O 3.28Å; A811-P1173 HydrophobicContact CB-CB 4.23Å; A811-P1173 WeakPolarHBondContact CB-O 3.48Å; A811-Y1176 HydrophobicContact CB-CD1 4.2Å; A811-Y1176 HydrophobicContact CB-CG 4.26Å
812	G	83.2	Confident	87.1	Confident	43 Å²	43	33.8 Å²	33.8	44%	0.443	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	13.4	-179.6	0	0	0	0	0	114.6	L808 K809 E810	L808-G812 PolarHBondContact O-N 3.24Å; K809-G812 PolarHBondContact O-N 3.28Å; K809-G812 VanDerWaalsContact O-N 3.08Å; E810-G812 PolarHBondContact O-N 3.26Å
813	I	87.9	Confident	86.6	Confident	6 Å²	6	30.9 Å²	30.9	3%	0.031	17%	0.169	C	C	.	.			trans	-78.1	127.8	176	-61.8	165.5	0	0	0	108.8	I453 L456 L808 A811 I815 F1093 Y1176	I453-I813 HydrophobicContact CG2-CG2 4.3Å; L456-I813 HydrophobicContact CB-CG2 3.72Å; L808-I813 HydrophobicContact CD2-CD1 3.72Å; L808-I813 WeakPolarHBondContact O-CB 3.48Å; L808-I813 PolarHBondContact O-N 3.25Å; L808-I813 VanDerWaalsContact O-N 3.09Å; A811-I813 HydrophobicContact CB-CD1 4.34Å; A811-I813 HydrophobicContact CB-CG1 4.47Å; I813-I815 HydrophobicContact CG2-CG1 4.49Å; I813-I815 PolarHBondContact O-N 3.09Å; I813-F1093 HydrophobicContact CD1-CD2 4.3Å; I813-Y1176 HydrophobicContact CD1-CD1 4.39Å; I813-Y1176 HydrophobicContact CD1-CE1 3.99Å; I813-Y1176 HydrophobicContact CG1-CD1 4.46Å; I813-Y1176 HydrophobicContact CG1-CE1 4.11Å
814	Q	88.4	Confident	85.7	Confident	20 Å²	20	31.3 Å²	31.3	9%	0.093	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	111.3	176.3	-63.6	-169.9	-78.8	0	0	109.5	K454 F455 L456	K454-Q814 PolarHBondContact O-N 2.94Å; F455-Q814 WeakPolarHBondContact CA-O 3.43Å; F455-Q814 HydrophobicContact CD1-CB 3.85Å; F455-Q814 HydrophobicContact CE1-CB 3.97Å; F455-Q814 HydrophobicContact CE1-CG 4.49Å; F455-Q814 VanDerWaalsContact CE1-OE1 3.28Å; F455-Q814 VanDerWaalsContact CZ-OE1 3.26Å; L456-Q814 PolarHBondContact N-O 2.9Å
815	I	92	Very high	84.7	Confident	3 Å²	3	32.4 Å²	32.4	2%	0.015	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	129.4	-177.4	-50.8	173.7	0	0	0	109.1	L456 I805 L808 K809 I813 H835	L456-I815 HydrophobicContact CB-CG1 4.35Å; L456-I815 HydrophobicContact CD2-CG1 4.39Å; L456-I815 CarbonylContact O-C 3.57Å; L456-I815 WeakPolarHBondContact O-CA 3.36Å; I805-I815 HydrophobicContact CD1-CD1 3.84Å; I805-I815 HydrophobicContact CD1-CG2 4.33Å; I805-I815 HydrophobicContact CG2-CD1 4.11Å; L808-I815 HydrophobicContact CB-CD1 3.87Å; K809-I815 HydrophobicContact CG-CD1 4.18Å; I813-I815 HydrophobicContact CG2-CG1 4.49Å; I813-I815 PolarHBondContact O-N 3.09Å; I815-H835 PolarHBondContact O-CE1 3.08Å; I815-H835 VanDerWaalsContact O-CE1 3.29Å
816	W	94.3	Very high	84.2	Confident	4 Å²	4	32.3 Å²	32.3	2%	0.015	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134	174.4	-68.3	26.6	0	0	0	108.3	F455 L456 F457 C458 C1006 V1012 I1025 V1029	F455-W816 HydrophobicContact CE1-CZ2 4.3Å; L456-W816 PolarHBondContact O-N 2.77Å; F457-W816 WeakPolarHBondContact CA-O 3.41Å; F457-W816 HydrophobicContact CD1-CB 3.74Å; F457-W816 HydrophobicContact CD1-CE3 4.45Å; F457-W816 HydrophobicContact CD1-CG 4.4Å; F457-W816 HydrophobicContact CE1-CB 3.85Å; F457-W816 AromaticContact CE1-CD2 3.81Å; F457-W816 HydrophobicContact CE1-CD2 3.81Å; F457-W816 AromaticContact CE1-CE3 3.53Å; F457-W816 HydrophobicContact CE1-CE3 3.53Å; F457-W816 HydrophobicContact CE1-CG 4.02Å; F457-W816 HydrophobicContact CE1-CZ3 4.21Å; F457-W816 HydrophobicContact CZ-CD2 4.44Å; F457-W816 HydrophobicContact CZ-CE3 4.27Å; C458-W816 PolarHBondContact N-O 3.38Å; W816-C1006 HydrophobicContact CH2-CB 3.35Å; W816-C1006 HydrophobicContact CZ2-CB 3.71Å; W816-C1006 HydrophobicContact CZ3-CB 4.12Å; W816-V1012 CarbonylContact C-O 3.48Å; W816-V1012 WeakPolarHBondContact CA-O 3.4Å; W816-V1012 HydrophobicContact CB-CB 4.4Å; W816-V1012 HydrophobicContact CD2-CB 3.66Å; W816-V1012 HydrophobicContact CD2-CG1 4.2Å; W816-V1012 HydrophobicContact CD2-CG2 3.88Å; W816-V1012 HydrophobicContact CE3-CB 3.92Å; W816-V1012 HydrophobicContact CE3-CG1 3.92Å; W816-V1012 HydrophobicContact CE3-CG2 4.26Å; W816-V1012 HydrophobicContact CG-CB 3.83Å; W816-V1012 HydrophobicContact CG-CG2 4.32Å; W816-V1012 HydrophobicContact CZ2-CG2 4.1Å; W816-V1012 HydrophobicContact CZ3-CG1 4.4Å; W816-I1025 HydrophobicContact CE3-CG2 4.14Å; W816-I1025 HydrophobicContact CZ3-CG2 4.11Å; W816-V1029 HydrophobicContact CH2-CG2 3.53Å; W816-V1029 HydrophobicContact CZ2-CG2 4.28Å; W816-V1029 HydrophobicContact CZ3-CG2 3.77Å
817	I	94	Very high	83.9	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	124.8	-177.6	-64.3	171.6	0	0	0	108.9	C458 K460 L464 C830 I833 H835 V1012 L1013 C1014	C458-I817 WeakPolarHBondContact O-CA 3.49Å; K460-I817 HydrophobicContact CB-CG2 4.24Å; L464-I817 HydrophobicContact CD1-CD1 4.02Å; L464-I817 HydrophobicContact CD1-CG1 4.38Å; I817-C830 VanDerWaalsContact CD1-SG 3.59Å; I817-I833 HydrophobicContact CD1-CD1 3.75Å; I817-H835 HydrophobicContact CD1-CB 4.11Å; I817-V1012 PolarHBondContact N-O 2.72Å; I817-L1013 HydrophobicContact CB-CD1 3.81Å; I817-L1013 HydrophobicContact CG2-CD1 3.65Å; I817-L1013 WeakPolarHBondContact O-CA 3.49Å; I817-C1014 PolarHBondContact O-N 3.23Å
818	L	92	Very high	83.3	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	87.6	-168	-65	-164.4	0	0	0	110.9	F457 C458 C1014 M1017 K1022 I1025 M1057	F457-L818 HydrophobicContact CB-CD1 4.04Å; F457-L818 HydrophobicContact CB-CG 4.46Å; F457-L818 HydrophobicContact CD1-CD1 3.41Å; F457-L818 VanDerWaalsContact CD1-CD1 3.41Å; F457-L818 HydrophobicContact CD1-CD2 4.27Å; F457-L818 HydrophobicContact CD1-CG 3.82Å; F457-L818 HydrophobicContact CE1-CD1 4.17Å; F457-L818 HydrophobicContact CG-CD1 4.02Å; C458-L818 PolarHBondContact O-N 3.4Å; L818-C1014 HydrophobicContact CD2-CB 3.72Å; L818-M1017 HydrophobicContact CB-CE 3.62Å; L818-M1017 HydrophobicContact CD1-CE 3.96Å; L818-M1017 HydrophobicContact CD2-CE 3.73Å; L818-M1017 HydrophobicContact CG-CE 3.96Å; L818-K1022 HydrophobicContact CB-CG 4.4Å; L818-K1022 VanDerWaalsContact O-CE 3.22Å; L818-K1022 WeakPolarHBondContact O-CE 3.4Å; L818-K1022 PolarHBondContact O-NZ 3.29Å; L818-I1025 HydrophobicContact CD1-CB 4.21Å; L818-I1025 HydrophobicContact CD1-CG2 3.88Å; L818-I1025 HydrophobicContact CD2-CG2 4.08Å; L818-M1057 HydrophobicContact CB-SD 4.23Å; L818-M1057 HydrophobicContact CD1-SD 3.78Å; L818-M1057 HydrophobicContact CG-SD 4.5Å
819	T	86.8	Confident	82.9	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.16	C	C	.	.			trans	-115.3	149.8	-169.4	-170.8	0	0	0	0	114.6	D459 D821 A826 L1013 C1014 C1015 R1016 M1017	D459-T819 WeakPolarHBondContact OD1-CA 3.43Å; T819-D821 VanDerWaalsContact C-N 3.26Å; T819-D821 HydrophobicContact CG2-CB 4.13Å; T819-D821 PolarHBondContact OG1-N 3.31Å; T819-A826 HydrophobicContact CG2-CB 3.71Å; T819-L1013 HydrophobicContact CG2-CD1 4.41Å; T819-C1014 PolarHBondContact N-O 2.71Å; T819-C1015 CarbonylContact O-C 3.54Å; T819-C1015 WeakPolarHBondContact O-CA 3.43Å; T819-R1016 PolarHBondContact O-N 2.91Å; T819-R1016 VanDerWaalsContact O-N 3.08Å; T819-M1017 PolarHBondContact O-N 3.25Å
820	G	73.4	Confident	82.8	Confident	42 Å²	42	25.5 Å²	25.5	43%	0.433	15%	0.146	S	C	.	.	S	Bend	trans	-74.5	-14.7	167.1	0	0	0	0	0	113.6	R1016	G820-R1016 WeakPolarHBondContact O-CA 3.45Å
821	D	70.8	Confident	82.6	Confident	38 Å²	38	24.6 Å²	24.6	20%	0.203	14%	0.142	C	C	.	.	S	Bend	trans	-69.8	166.3	-173.8	-89.6	46.6	0	0	0	114.3	K460 T461 R738 T819 R1016	K460-D821 VanDerWaalsContact NZ-CG 3.28Å; K460-D821 IonicContact NZ-OD2 3.63Å; K460-D821 PolarHBondContact NZ-OD2 3.25Å; T461-D821 PolarHBondContact OG1-OD1 2.95Å; T461-D821 VanDerWaalsContact OG1-OD1 3.12Å; R738-D821 IonicContact NH2-OD2 3.15Å; T819-D821 VanDerWaalsContact C-N 3.26Å; T819-D821 HydrophobicContact CG2-CB 4.13Å; T819-D821 PolarHBondContact OG1-N 3.31Å; D821-R1016 WeakPolarHBondContact O-CG 3.3Å; D821-R1016 PolarHBondContact O-N 2.9Å
822	K	67.8	Low	82.3	Confident	110 Å²	110	26.5 Å²	26.5	48%	0.478	16%	0.155	S	C	.	.			trans	-60.7	148.6	171.4	-62.3	174.7	-176.9	164.9	0	110.2	E824 T825 A826	K822-E824 VanDerWaalsContact C-N 3.25Å; K822-E824 WeakPolarHBondContact CB-OE2 3.44Å; K822-E824 PolarHBondContact O-N 2.99Å; K822-T825 PolarHBondContact O-N 3.4Å; K822-T825 PolarHBondContact O-OG1 3.49Å; K822-A826 WeakPolarHBondContact O-CB 3.34Å; K822-A826 PolarHBondContact O-N 3.04Å; K822-A826 VanDerWaalsContact O-N 3.07Å
823	A	77.5	Confident	82.4	Confident	3 Å²	3	24.5 Å²	24.5	3%	0.025	13%	0.134	C	C	.	.	H	α-helix	trans	-65.4	-31.9	-173.7	0	0	0	0	0	112.7	A826 I827 M846 C1015	A823-A826 PolarHBondContact O-N 3.01Å; A823-I827 WeakPolarHBondContact O-CB 3.28Å; A823-I827 WeakPolarHBondContact O-CD1 3.45Å; A823-I827 WeakPolarHBondContact O-CG1 3.43Å; A823-I827 PolarHBondContact O-N 3.02Å; A823-M846 HydrophobicContact CB-CE 3.55Å; A823-M846 HydrophobicContact CB-SD 4.36Å; A823-C1015 HydrophobicContact CB-CB 3.97Å
824	E	73.1	Confident	82.2	Confident	107 Å²	107	28.4 Å²	28.4	50%	0.5	15%	0.152	S	C	.	.	H	α-helix	trans	-64.6	-54.5	179.1	-56.4	73.5	-159.3	0	0	110.3	K822 A826 I827 T828 R1016	K822-E824 VanDerWaalsContact C-N 3.25Å; K822-E824 WeakPolarHBondContact CB-OE2 3.44Å; K822-E824 PolarHBondContact O-N 2.99Å; E824-A826 PolarHBondContact O-N 2.99Å; E824-I827 PolarHBondContact O-N 3.07Å; E824-T828 PolarHBondContact O-N 3.08Å; E824-T828 VanDerWaalsContact O-N 3.08Å; E824-T828 PolarHBondContact O-OG1 3.4Å; E824-R1016 IonicContact OE2-NH2 3.64Å
825	T	70.5	Confident	82	Confident	24 Å²	24	27.5 Å²	27.5	15%	0.147	15%	0.148	C	C	.	.	H	α-helix	trans	-65.5	-21.6	176.6	47.7	0	0	0	0	114	R738 K822 T828 I829	R738-T825 HydrophobicContact CG-CG2 4.37Å; K822-T825 PolarHBondContact O-N 3.4Å; K822-T825 PolarHBondContact O-OG1 3.49Å; T825-T828 WeakPolarHBondContact CA-OG1 3.29Å; T825-T828 PolarHBondContact O-OG1 3.48Å; T825-T828 VanDerWaalsContact O-OG1 3.06Å; T825-I829 WeakPolarHBondContact O-CD1 3.4Å
826	A	81.1	Confident	81.7	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-82	-39.3	176.1	0	0	0	0	0	111.5	T819 K822 A823 E824 C830 L1013	T819-A826 HydrophobicContact CG2-CB 3.71Å; K822-A826 WeakPolarHBondContact O-CB 3.34Å; K822-A826 PolarHBondContact O-N 3.04Å; K822-A826 VanDerWaalsContact O-N 3.07Å; A823-A826 PolarHBondContact O-N 3.01Å; E824-A826 PolarHBondContact O-N 2.99Å; A826-C830 WeakPolarHBondContact O-CB 3.4Å; A826-C830 PolarHBondContact O-N 3.32Å; A826-C830 VanDerWaalsContact O-N 3.07Å; A826-C830 PolarHBondContact O-SG 3.01Å; A826-L1013 HydrophobicContact CB-CD1 4.07Å; A826-L1013 HydrophobicContact CB-CD2 3.91Å; A826-L1013 HydrophobicContact CB-CG 4.44Å
827	I	83.6	Confident	81	Confident	19 Å²	19	30.3 Å²	30.3	10%	0.097	17%	0.165	C	C	.	.	H	α-helix	trans	-64.4	-44	174.3	-70.9	163.4	0	0	0	110.7	A823 E824 I829 C830 Q831 F836 L842 V984 L1013	A823-I827 WeakPolarHBondContact O-CB 3.28Å; A823-I827 WeakPolarHBondContact O-CD1 3.45Å; A823-I827 WeakPolarHBondContact O-CG1 3.43Å; A823-I827 PolarHBondContact O-N 3.02Å; E824-I827 PolarHBondContact O-N 3.07Å; I827-I829 PolarHBondContact O-N 2.88Å; I827-C830 WeakPolarHBondContact O-CB 3.37Å; I827-C830 PolarHBondContact O-N 3.43Å; I827-Q831 WeakPolarHBondContact O-CG 3.44Å; I827-Q831 PolarHBondContact O-N 3.2Å; I827-F836 HydrophobicContact CG1-CE2 4.3Å; I827-L842 HydrophobicContact CG2-CD1 4.46Å; I827-V984 HydrophobicContact CD1-CG1 4.36Å; I827-V984 HydrophobicContact CD1-CG2 4.33Å; I827-V984 HydrophobicContact CG1-CG2 4.25Å; I827-L1013 HydrophobicContact CG1-CD2 3.93Å
828	T	77.7	Confident	80	Confident	18 Å²	18	35.8 Å²	35.8	11%	0.11	20%	0.204	C	C	.	.	H	α-helix	trans	-58.2	-49.9	179.1	52.4	0	0	0	0	111.9	E824 T825 C830 Q831 S832	E824-T828 PolarHBondContact O-N 3.08Å; E824-T828 VanDerWaalsContact O-N 3.08Å; E824-T828 PolarHBondContact O-OG1 3.4Å; T825-T828 WeakPolarHBondContact CA-OG1 3.29Å; T825-T828 PolarHBondContact O-OG1 3.48Å; T825-T828 VanDerWaalsContact O-OG1 3.06Å; T828-C830 VanDerWaalsContact C-N 3.31Å; T828-C830 PolarHBondContact O-N 3.45Å; T828-Q831 WeakPolarHBondContact O-CA 3.44Å; T828-Q831 WeakPolarHBondContact O-CB 3.06Å; T828-Q831 PolarHBondContact O-N 2.89Å; T828-S832 PolarHBondContact O-N 3.13Å; T828-S832 PolarHBondContact O-OG 2.97Å
829	I	82.5	Confident	79.2	Confident	5 Å²	5	42.8 Å²	42.8	3%	0.026	24%	0.241	C	C	.	.	H	α-helix	trans	-63.6	-37.1	177.5	-75.6	159.5	0	0	0	111.7	K460 T465 D795 L797 T825 I827 Q831 S832 I833	K460-I829 HydrophobicContact CD-CB 4.18Å; K460-I829 HydrophobicContact CD-CD1 3.59Å; K460-I829 HydrophobicContact CD-CG1 4.49Å; K460-I829 HydrophobicContact CD-CG2 4.19Å; K460-I829 HydrophobicContact CG-CB 4.29Å; K460-I829 HydrophobicContact CG-CD1 4.12Å; K460-I829 HydrophobicContact CG-CG2 3.73Å; K460-I829 VanDerWaalsContact NZ-CD1 3.31Å; T465-I829 HydrophobicContact CG2-CD1 3.63Å; T465-I829 HydrophobicContact CG2-CG1 4.26Å; T465-I829 HydrophobicContact CG2-CG2 4.44Å; D795-I829 HydrophobicContact CB-CD1 4.43Å; D795-I829 WeakPolarHBondContact OD2-CD1 3.45Å; L797-I829 HydrophobicContact CD2-CG2 4.21Å; T825-I829 WeakPolarHBondContact O-CD1 3.4Å; I827-I829 PolarHBondContact O-N 2.88Å; I829-Q831 VanDerWaalsContact C-N 3.25Å; I829-Q831 PolarHBondContact O-N 3.04Å; I829-S832 PolarHBondContact O-N 3.24Å; I829-I833 WeakPolarHBondContact O-CG1 3.47Å; I829-I833 PolarHBondContact O-N 3.39Å; I829-I833 VanDerWaalsContact O-N 3.08Å
830	C	86.8	Confident	78.8	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.6	-30.7	172.9	-71.2	0	0	0	0	113.1	I817 A826 I827 T828 H835 F836	I817-C830 VanDerWaalsContact CD1-SG 3.59Å; A826-C830 WeakPolarHBondContact O-CB 3.4Å; A826-C830 PolarHBondContact O-N 3.32Å; A826-C830 VanDerWaalsContact O-N 3.07Å; A826-C830 PolarHBondContact O-SG 3.01Å; I827-C830 WeakPolarHBondContact O-CB 3.37Å; I827-C830 PolarHBondContact O-N 3.43Å; T828-C830 VanDerWaalsContact C-N 3.31Å; T828-C830 PolarHBondContact O-N 3.45Å; C830-H835 HydrophobicContact CB-CB 4.17Å; C830-H835 WeakPolarHBondContact O-CA 3.44Å; C830-H835 WeakPolarHBondContact O-CB 3.42Å; C830-H835 PolarHBondContact O-N 2.9Å; C830-F836 HydrophobicContact CB-CB 4.45Å; C830-F836 HydrophobicContact CB-CD2 3.37Å; C830-F836 HydrophobicContact CB-CE2 3.69Å; C830-F836 HydrophobicContact CB-CG 3.91Å; C830-F836 HydrophobicContact CB-CZ 4.45Å; C830-F836 PolarHBondContact O-N 3.04Å
831	Q	82.9	Confident	79.3	Confident	71 Å²	71	43.3 Å²	43.3	33%	0.332	24%	0.236	S	C	.	.	H	α-helix	trans	-74.5	-46.1	172.9	-68.6	167.3	-53.3	0	0	110.8	I827 T828 I829 I833 E834 F836	I827-Q831 WeakPolarHBondContact O-CG 3.44Å; I827-Q831 PolarHBondContact O-N 3.2Å; T828-Q831 WeakPolarHBondContact O-CA 3.44Å; T828-Q831 WeakPolarHBondContact O-CB 3.06Å; T828-Q831 PolarHBondContact O-N 2.89Å; I829-Q831 VanDerWaalsContact C-N 3.25Å; I829-Q831 PolarHBondContact O-N 3.04Å; Q831-I833 VanDerWaalsContact C-N 3.29Å; Q831-I833 PolarHBondContact O-N 3.46Å; Q831-E834 PolarHBondContact O-N 3.37Å; Q831-F836 HydrophobicContact CG-CB 4.3Å
832	S	81.3	Confident	80	Confident	42 Å²	42	44 Å²	44	29%	0.294	24%	0.24	S	C	.	.	H	α-helix	trans	-59	-34.9	180	-55.4	0	0	0	0	114	T828 I829	T828-S832 PolarHBondContact O-N 3.13Å; T828-S832 PolarHBondContact O-OG 2.97Å; I829-S832 PolarHBondContact O-N 3.24Å
833	I	86	Confident	80.9	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	4	176.3	71.5	-168.4	0	0	0	114.1	L464 L797 V801 I817 I829 Q831 H835	L464-I833 HydrophobicContact CD1-CD1 3.94Å; L797-I833 HydrophobicContact CD1-CG2 3.69Å; L797-I833 HydrophobicContact CD2-CG2 3.54Å; L797-I833 HydrophobicContact CG-CG2 4.27Å; V801-I833 HydrophobicContact CG1-CB 4.38Å; V801-I833 HydrophobicContact CG1-CG2 3.77Å; I817-I833 HydrophobicContact CD1-CD1 3.75Å; I829-I833 WeakPolarHBondContact O-CG1 3.47Å; I829-I833 PolarHBondContact O-N 3.39Å; I829-I833 VanDerWaalsContact O-N 3.08Å; Q831-I833 VanDerWaalsContact C-N 3.29Å; Q831-I833 PolarHBondContact O-N 3.46Å; I833-H835 HydrophobicContact CD1-CB 3.7Å; I833-H835 HydrophobicContact CG1-CB 3.55Å; I833-H835 PolarHBondContact O-N 3.27Å
834	E	82.6	Confident	81.5	Confident	89 Å²	89	44.1 Å²	44.1	42%	0.416	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	31.3	-170.2	-66.8	175	-179	0	0	113.5	K802 K809 Q831	K802-E834 WeakPolarHBondContact CE-OE1 3.37Å; K802-E834 WeakPolarHBondContact CE-OE2 3.35Å; K802-E834 IonicContact NZ-OE1 3.73Å; K802-E834 PolarHBondContact NZ-OE1 3.06Å; K802-E834 IonicContact NZ-OE2 2.71Å; K809-E834 PolarHBondContact NZ-O 3.13Å; Q831-E834 PolarHBondContact O-N 3.37Å
835	H	84.8	Confident	82.3	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	22%	0.216	C	C	.	.	S	Bend	trans	-69.3	-46.2	167.6	-174	83.3	0	0	0	109.9	K809 I815 I817 C830 I833 T1011	K809-H835 PolarHBondContact NZ-O 2.88Å; I815-H835 PolarHBondContact O-CE1 3.08Å; I815-H835 VanDerWaalsContact O-CE1 3.29Å; I817-H835 HydrophobicContact CD1-CB 4.11Å; C830-H835 HydrophobicContact CB-CB 4.17Å; C830-H835 WeakPolarHBondContact O-CA 3.44Å; C830-H835 WeakPolarHBondContact O-CB 3.42Å; C830-H835 PolarHBondContact O-N 2.9Å; I833-H835 HydrophobicContact CD1-CB 3.7Å; I833-H835 HydrophobicContact CG1-CB 3.55Å; I833-H835 PolarHBondContact O-N 3.27Å; H835-T1011 VanDerWaalsContact NE2-CB 3.34Å; H835-T1011 WeakPolarHBondContact NE2-CB 3.27Å
836	F	85.4	Confident	83	Confident	5 Å²	5	39.9 Å²	39.9	2%	0.022	22%	0.219	C	C	.	.	S	Bend	trans	-99.2	122.1	162.8	-61.4	-31.1	0	0	0	110.1	I827 C830 Q831 M840 L842 V984 T1011 L1013	I827-F836 HydrophobicContact CG1-CE2 4.3Å; C830-F836 HydrophobicContact CB-CB 4.45Å; C830-F836 HydrophobicContact CB-CD2 3.37Å; C830-F836 HydrophobicContact CB-CE2 3.69Å; C830-F836 HydrophobicContact CB-CG 3.91Å; C830-F836 HydrophobicContact CB-CZ 4.45Å; C830-F836 PolarHBondContact O-N 3.04Å; Q831-F836 HydrophobicContact CG-CB 4.3Å; F836-M840 VanDerWaalsContact CA-SD 3.55Å; F836-M840 HydrophobicContact CB-SD 3.97Å; F836-M840 HydrophobicContact CD1-CE 4.08Å; F836-M840 HydrophobicContact CD1-SD 3.6Å; F836-M840 VanDerWaalsContact CD1-SD 3.6Å; F836-M840 HydrophobicContact CG-SD 4.18Å; F836-L842 HydrophobicContact CD1-CD2 3.88Å; F836-L842 HydrophobicContact CD2-CD1 4.27Å; F836-L842 HydrophobicContact CD2-CD2 3.95Å; F836-L842 HydrophobicContact CE1-CD2 3.95Å; F836-L842 HydrophobicContact CE2-CD1 4.5Å; F836-L842 HydrophobicContact CE2-CD2 4.03Å; F836-L842 HydrophobicContact CG-CD2 3.88Å; F836-L842 HydrophobicContact CZ-CD2 4.02Å; F836-V984 HydrophobicContact CE2-CG2 4.12Å; F836-V984 HydrophobicContact CZ-CG2 4Å; F836-T1011 WeakPolarHBondContact CE1-OG1 3.29Å; F836-L1013 HydrophobicContact CE2-CB 4.26Å; F836-L1013 HydrophobicContact CE2-CD2 3.76Å; F836-L1013 HydrophobicContact CZ-CB 3.65Å; F836-L1013 HydrophobicContact CZ-CD2 4.04Å; F836-L1013 HydrophobicContact CZ-CG 4.49Å
837	T	80	Confident	83	Confident	60 Å²	60	44.6 Å²	44.6	37%	0.368	24%	0.244	S	C	.	.			trans	-81.4	152.7	173.3	51	0	0	0	0	110.5	N839 M840 S980	T837-N839 PolarHBondContact O-N 2.79Å; T837-N839 VanDerWaalsContact O-N 3.16Å; T837-M840 WeakPolarHBondContact O-CB 3.27Å; T837-M840 PolarHBondContact O-N 3.29Å; T837-S980 PolarHBondContact OG1-OG 3.32Å
838	S	72.8	Confident	83	Confident	117 Å²	117	43.9 Å²	43.9	82%	0.818	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-35.9	175.5	48.3	0	0	0	0	113.6	M840	S838-M840 PolarHBondContact O-N 3.17Å
839	N	75.9	Confident	83.3	Confident	146 Å²	146	49.3 Å²	49.3	78%	0.781	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	7.9	179.8	-59.5	-5.4	0	0	0	114.1	T837	T837-N839 PolarHBondContact O-N 2.79Å; T837-N839 VanDerWaalsContact O-N 3.16Å
840	M	78.6	Confident	83.5	Confident	22 Å²	22	52.2 Å²	52.2	11%	0.108	29%	0.287	C	S	.	.			trans	-88	134.3	-172.4	-166.2	159.7	-161.8	0	0	112.5	F836 T837 S838 L842 S980 I981 T1010 T1011	F836-M840 VanDerWaalsContact CA-SD 3.55Å; F836-M840 HydrophobicContact CB-SD 3.97Å; F836-M840 HydrophobicContact CD1-CE 4.08Å; F836-M840 HydrophobicContact CD1-SD 3.6Å; F836-M840 VanDerWaalsContact CD1-SD 3.6Å; F836-M840 HydrophobicContact CG-SD 4.18Å; T837-M840 WeakPolarHBondContact O-CB 3.27Å; T837-M840 PolarHBondContact O-N 3.29Å; S838-M840 PolarHBondContact O-N 3.17Å; M840-L842 HydrophobicContact CG-CD2 4.22Å; M840-S980 WeakPolarHBondContact CA-OG 3.5Å; M840-S980 WeakPolarHBondContact CB-OG 3.36Å; M840-S980 WeakPolarHBondContact CG-O 3.06Å; M840-S980 WeakPolarHBondContact CG-OG 3.36Å; M840-I981 VanDerWaalsContact CE-O 3.26Å; M840-I981 WeakPolarHBondContact CE-O 3.29Å; M840-T1010 WeakPolarHBondContact CE-OG1 3.47Å; M840-T1011 HydrophobicContact CE-CG2 4.38Å; M840-T1011 WeakPolarHBondContact CE-OG1 3.45Å
841	S	82.9	Confident	83.6	Confident	32 Å²	32	54.7 Å²	54.7	22%	0.224	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	131.3	169.1	61.5	0	0	0	0	110.6	S980 I981 G982	S841-S980 PolarHBondContact N-O 3.34Å; S841-S980 VanDerWaalsContact N-O 3.09Å; S841-I981 CarbonylContact O-C 3.55Å; S841-I981 WeakPolarHBondContact O-CA 3.41Å; S841-G982 PolarHBondContact O-N 3.25Å
842	L	85.1	Confident	83.9	Confident	53 Å²	53	57.9 Å²	57.9	28%	0.277	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	112.1	-177.9	-63	-178.8	0	0	0	111.6	I827 F836 M840 G982	I827-L842 HydrophobicContact CG2-CD1 4.46Å; F836-L842 HydrophobicContact CD1-CD2 3.88Å; F836-L842 HydrophobicContact CD2-CD1 4.27Å; F836-L842 HydrophobicContact CD2-CD2 3.95Å; F836-L842 HydrophobicContact CE1-CD2 3.95Å; F836-L842 HydrophobicContact CE2-CD1 4.5Å; F836-L842 HydrophobicContact CE2-CD2 4.03Å; F836-L842 HydrophobicContact CG-CD2 3.88Å; F836-L842 HydrophobicContact CZ-CD2 4.02Å; M840-L842 HydrophobicContact CG-CD2 4.22Å; L842-G982 WeakPolarHBondContact CA-O 3.14Å
843	I	88.5	Confident	84.3	Confident	12 Å²	12	57.6 Å²	57.6	6%	0.062	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	120	170.6	-58.8	175	0	0	0	108.1	I845 Q861 L865 I981 G982 L983 V984 V1009	I843-I845 HydrophobicContact CG2-CG1 4.43Å; I843-Q861 HydrophobicContact CG2-CG 3.83Å; I843-L865 HydrophobicContact CD1-CD1 4.19Å; I843-I981 HydrophobicContact CD1-CG2 3.72Å; I843-I981 HydrophobicContact CG1-CG2 4.06Å; I843-G982 PolarHBondContact N-O 3.4Å; I843-L983 HydrophobicContact CB-CD1 4.11Å; I843-L983 HydrophobicContact CG2-CD1 3.83Å; I843-V984 PolarHBondContact O-N 3.01Å; I843-V1009 HydrophobicContact CD1-CG2 4.45Å
844	K	89.4	Confident	84.4	Confident	102 Å²	102	57.6 Å²	57.6	44%	0.443	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	108.9	-178.5	-64.1	-174.5	179.5	-178.2	0	111.8	M846 V984	K844-M846 HydrophobicContact CB-CG 4.42Å; K844-M846 HydrophobicContact CB-SD 4.28Å; K844-M846 HydrophobicContact CD-SD 4.3Å; K844-V984 WeakPolarHBondContact CA-O 3.31Å; K844-V984 HydrophobicContact CG-CB 4.31Å
845	I	89.7	Confident	84.7	Confident	2 Å²	2	54 Å²	54	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	87.7	172.5	-54.8	-177.4	0	0	0	108.4	I843 K857 I858 L983 V984 I985 D986 L1005	I843-I845 HydrophobicContact CG2-CG1 4.43Å; I845-K857 HydrophobicContact CG2-CD 4.37Å; I845-I858 HydrophobicContact CD1-CG1 4.09Å; I845-L983 HydrophobicContact CD1-CD1 3.97Å; I845-L983 HydrophobicContact CG1-CD1 4.13Å; I845-V984 PolarHBondContact N-O 3.02Å; I845-I985 HydrophobicContact CB-CB 4.45Å; I845-I985 HydrophobicContact CB-CD1 4.38Å; I845-I985 HydrophobicContact CB-CG1 4.17Å; I845-I985 HydrophobicContact CG2-CD1 4.21Å; I845-I985 HydrophobicContact CG2-CG1 4.27Å; I845-I985 WeakPolarHBondContact O-CA 3.24Å; I845-D986 PolarHBondContact O-N 3.04Å; I845-L1005 HydrophobicContact CD1-CD2 3.79Å
846	M	85.2	Confident	84.9	Confident	41 Å²	41	61.4 Å²	61.4	20%	0.202	33%	0.327	C	S	.	.			trans	-123.4	154.1	-175.4	-61.6	176.7	67.4	0	0	112.2	A823 K844 C848 K857	A823-M846 HydrophobicContact CB-CE 3.55Å; A823-M846 HydrophobicContact CB-SD 4.36Å; K844-M846 HydrophobicContact CB-CG 4.42Å; K844-M846 HydrophobicContact CB-SD 4.28Å; K844-M846 HydrophobicContact CD-SD 4.3Å; M846-C848 VanDerWaalsContact C-N 3.29Å; M846-C848 PolarHBondContact O-N 3.17Å; M846-K857 PolarHBondContact O-NZ 3.39Å; M846-K857 VanDerWaalsContact O-NZ 3.1Å
847	N	81.3	Confident	85.1	Confident	99 Å²	99	64.3 Å²	64.3	53%	0.529	34%	0.34	S	S	.	.			trans	51.2	37.1	172.5	-64.9	-36.1	0	0	0	114.9	L849 D986	N847-L849 PolarHBondContact O-N 2.92Å; N847-D986 PolarHBondContact N-OD1 3.45Å; N847-D986 PolarHBondContact N-OD2 3.09Å
848	C	83.4	Confident	85.5	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.02	32%	0.322	C	S	.	.			trans	-76.9	122.8	173.6	-51.8	0	0	0	0	109.8	M846 T854 K857 S989	M846-C848 VanDerWaalsContact C-N 3.29Å; M846-C848 PolarHBondContact O-N 3.17Å; C848-T854 WeakPolarHBondContact CB-OG1 3.43Å; C848-K857 PolarHBondContact SG-NZ 3.36Å; C848-S989 WeakPolarHBondContact CB-OG 3.37Å; C848-S989 PolarHBondContact N-OG 3.3Å; C848-S989 PolarHBondContact SG-OG 3.18Å
849	L	83.6	Confident	86.3	Confident	132 Å²	132	60.6 Å²	60.6	69%	0.691	30%	0.302	S	S	*	.			trans	-92.8	-22.3	-175.7	-64.5	176.1	0	0	0	113.4	N847 Y992	N847-L849 PolarHBondContact O-N 2.92Å; L849-Y992 WeakPolarHBondContact O-CE2 3.46Å; L849-Y992 VanDerWaalsContact O-CZ 3.3Å; L849-Y992 PolarHBondContact O-OH 3.01Å
850	T	88.4	Confident	86.9	Confident	67 Å²	67	56.9 Å²	56.9	41%	0.411	28%	0.28	S	S	.	.	S	Bend	trans	-131.7	154.1	-176.3	65.9	0	0	0	0	111.9	Q852 S853 T854	T850-Q852 VanDerWaalsContact C-N 3.29Å; T850-Q852 PolarHBondContact O-N 3.38Å; T850-S853 PolarHBondContact N-OG 3.09Å; T850-S853 PolarHBondContact O-N 3.46Å; T850-S853 VanDerWaalsContact O-N 3.13Å; T850-S853 PolarHBondContact O-OG 3.2Å; T850-S853 WeakPolarHBondContact OG1-CB 3.47Å; T850-S853 PolarHBondContact OG1-N 2.99Å; T850-S853 PolarHBondContact OG1-OG 3.09Å; T850-T854 PolarHBondContact O-N 3.29Å; T850-T854 PolarHBondContact O-OG1 2.93Å
851	L	88.4	Confident	87.3	Confident	51 Å²	51	57.7 Å²	57.7	27%	0.267	28%	0.283	S	S	.	.	H	α-helix	trans	-57.8	-40.3	177.7	-174.5	149.2	0	0	0	112.2	T854 A855 Y992 H995 L998	L851-T854 PolarHBondContact O-N 2.86Å; L851-A855 WeakPolarHBondContact O-CB 3.38Å; L851-A855 PolarHBondContact O-N 3Å; L851-Y992 HydrophobicContact CB-CD1 4.1Å; L851-H995 HydrophobicContact CD1-CB 3.92Å; L851-L998 HydrophobicContact CD2-CD1 4.02Å; L851-L998 HydrophobicContact CG-CD1 3.91Å
852	Q	88.8	Confident	87.3	Confident	138 Å²	138	56.4 Å²	56.4	65%	0.645	27%	0.274	S	S	*	.	H	α-helix	trans	-63.6	-40.5	177.1	-61.7	85.9	-15.7	0	0	112	T850 T854 A855 Y856	T850-Q852 VanDerWaalsContact C-N 3.29Å; T850-Q852 PolarHBondContact O-N 3.38Å; Q852-T854 VanDerWaalsContact C-N 3.34Å; Q852-T854 PolarHBondContact O-N 3.19Å; Q852-A855 PolarHBondContact O-N 3.36Å; Q852-Y856 WeakPolarHBondContact O-CB 3.48Å; Q852-Y856 PolarHBondContact O-N 3.07Å
853	S	89.3	Confident	87.2	Confident	37 Å²	37	58.1 Å²	58.1	26%	0.259	28%	0.283	S	S	.	.	H	α-helix	trans	-65.1	-37.7	178.5	70.9	0	0	0	0	112.4	T850 K857	T850-S853 PolarHBondContact N-OG 3.09Å; T850-S853 PolarHBondContact O-N 3.46Å; T850-S853 VanDerWaalsContact O-N 3.13Å; T850-S853 PolarHBondContact O-OG 3.2Å; T850-S853 WeakPolarHBondContact OG1-CB 3.47Å; T850-S853 PolarHBondContact OG1-N 2.99Å; T850-S853 PolarHBondContact OG1-OG 3.09Å; S853-K857 PolarHBondContact O-N 3.11Å
854	T	88.2	Confident	86.8	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-69.3	-43.4	174	-49.9	0	0	0	0	111.1	C848 T850 L851 Q852 K857 I858 A993	C848-T854 WeakPolarHBondContact CB-OG1 3.43Å; T850-T854 PolarHBondContact O-N 3.29Å; T850-T854 PolarHBondContact O-OG1 2.93Å; L851-T854 PolarHBondContact O-N 2.86Å; Q852-T854 VanDerWaalsContact C-N 3.34Å; Q852-T854 PolarHBondContact O-N 3.19Å; T854-K857 PolarHBondContact O-N 3.41Å; T854-I858 HydrophobicContact CG2-CD1 3.91Å; T854-I858 WeakPolarHBondContact O-CG1 3.21Å; T854-I858 PolarHBondContact O-N 3.07Å; T854-A993 HydrophobicContact CG2-CB 4.07Å
855	A	89.5	Confident	86.1	Confident	14 Å²	14	54.9 Å²	54.9	12%	0.116	27%	0.272	C	S	.	.	H	α-helix	trans	-58.8	-51	177.5	0	0	0	0	0	112	L851 Q852 K857 I858 Y859 L998	L851-A855 WeakPolarHBondContact O-CB 3.38Å; L851-A855 PolarHBondContact O-N 3Å; Q852-A855 PolarHBondContact O-N 3.36Å; A855-K857 PolarHBondContact O-N 2.88Å; A855-I858 PolarHBondContact O-N 3.13Å; A855-I858 VanDerWaalsContact O-N 3.13Å; A855-Y859 HydrophobicContact CB-CD2 4.38Å; A855-Y859 HydrophobicContact CB-CE2 4.23Å; A855-Y859 WeakPolarHBondContact O-CD2 3.46Å; A855-Y859 PolarHBondContact O-N 2.9Å; A855-L998 HydrophobicContact CB-CD1 3.96Å; A855-L998 HydrophobicContact CB-CD2 3.65Å; A855-L998 HydrophobicContact CB-CG 4.44Å
856	Y	89.1	Confident	85.5	Confident	156 Å²	156	58.7 Å²	58.7	61%	0.612	29%	0.29	S	S	*	.	H	α-helix	trans	-54.7	-49.8	178.9	177.8	-86.7	0	0	0	111.3	Q852 I858 Y859 E860	Q852-Y856 WeakPolarHBondContact O-CB 3.48Å; Q852-Y856 PolarHBondContact O-N 3.07Å; Y856-I858 PolarHBondContact O-N 3Å; Y856-Y859 PolarHBondContact O-N 3.15Å; Y856-E860 HydrophobicContact CE1-CB 4.4Å; Y856-E860 WeakPolarHBondContact CE1-OE2 3.33Å; Y856-E860 VanDerWaalsContact O-CB 3.29Å; Y856-E860 WeakPolarHBondContact O-CB 3.32Å; Y856-E860 PolarHBondContact O-N 3.39Å
857	K	88.7	Confident	85	Confident	67 Å²	67	62.8 Å²	62.8	29%	0.291	31%	0.312	S	S	.	.	H	α-helix	trans	-61.4	-40.4	177.4	-71.1	-178.8	-173.2	173.1	0	112.5	I845 M846 C848 S853 T854 A855 Q861	I845-K857 HydrophobicContact CG2-CD 4.37Å; M846-K857 PolarHBondContact O-NZ 3.39Å; M846-K857 VanDerWaalsContact O-NZ 3.1Å; C848-K857 PolarHBondContact SG-NZ 3.36Å; S853-K857 PolarHBondContact O-N 3.11Å; T854-K857 PolarHBondContact O-N 3.41Å; A855-K857 PolarHBondContact O-N 2.88Å; K857-Q861 WeakPolarHBondContact O-CG 3.46Å; K857-Q861 PolarHBondContact O-N 3.14Å
858	I	88.6	Confident	84.4	Confident	0 Å²	0	60 Å²	60	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65.1	-46.5	178.7	-71.2	167.9	0	0	0	110.7	I845 T854 A855 Y856 Q861 L862 A993 F1002 L1005	I845-I858 HydrophobicContact CD1-CG1 4.09Å; T854-I858 HydrophobicContact CG2-CD1 3.91Å; T854-I858 WeakPolarHBondContact O-CG1 3.21Å; T854-I858 PolarHBondContact O-N 3.07Å; A855-I858 PolarHBondContact O-N 3.13Å; A855-I858 VanDerWaalsContact O-N 3.13Å; Y856-I858 PolarHBondContact O-N 3Å; I858-Q861 PolarHBondContact O-N 3.26Å; I858-L862 HydrophobicContact CG2-CD1 3.93Å; I858-L862 WeakPolarHBondContact O-CB 3.45Å; I858-L862 WeakPolarHBondContact O-CG 3.33Å; I858-L862 PolarHBondContact O-N 2.73Å; I858-A993 HydrophobicContact CD1-CB 3.99Å; I858-F1002 HydrophobicContact CD1-CB 4.17Å; I858-F1002 HydrophobicContact CD1-CD2 4.14Å; I858-L1005 HydrophobicContact CG1-CD2 4.35Å; I858-L1005 HydrophobicContact CG2-CD2 4.42Å
859	Y	89.6	Confident	83.5	Confident	99 Å²	99	61.6 Å²	61.6	39%	0.388	30%	0.301	S	S	.	.	H	α-helix	trans	-68.2	-43.6	179.8	-68.2	-57.8	0	0	0	112.4	A855 Y856 Q861 L862 D863 L998	A855-Y859 HydrophobicContact CB-CD2 4.38Å; A855-Y859 HydrophobicContact CB-CE2 4.23Å; A855-Y859 WeakPolarHBondContact O-CD2 3.46Å; A855-Y859 PolarHBondContact O-N 2.9Å; Y856-Y859 PolarHBondContact O-N 3.15Å; Y859-Q861 VanDerWaalsContact C-N 3.29Å; Y859-Q861 PolarHBondContact O-N 2.87Å; Y859-L862 HydrophobicContact CD1-CD1 4.35Å; Y859-L862 PolarHBondContact O-N 3.04Å; Y859-L862 VanDerWaalsContact O-N 3.16Å; Y859-D863 WeakPolarHBondContact O-CB 3.4Å; Y859-D863 PolarHBondContact O-N 3.37Å; Y859-L998 HydrophobicContact CE2-CD2 4.04Å
860	E	88.7	Confident	82.8	Confident	68 Å²	68	59.2 Å²	59.2	32%	0.318	29%	0.289	S	S	.	.	H	α-helix	trans	-54.8	-43.4	175	-179.7	-177.4	-150.2	0	0	112	Y856 T864	Y856-E860 HydrophobicContact CE1-CB 4.4Å; Y856-E860 WeakPolarHBondContact CE1-OE2 3.33Å; Y856-E860 VanDerWaalsContact O-CB 3.29Å; Y856-E860 WeakPolarHBondContact O-CB 3.32Å; Y856-E860 PolarHBondContact O-N 3.39Å; E860-T864 WeakPolarHBondContact O-CB 3.49Å; E860-T864 PolarHBondContact O-N 3.46Å; E860-T864 PolarHBondContact O-OG1 3.07Å
861	Q	86.1	Confident	81.7	Confident	38 Å²	38	60 Å²	60	18%	0.178	29%	0.285	C	S	.	.	H	α-helix	trans	-74.2	-37.2	178.5	-62.6	-57.1	-52.6	0	0	112.4	I843 K857 I858 Y859 L865 L1005	I843-Q861 HydrophobicContact CG2-CG 3.83Å; K857-Q861 WeakPolarHBondContact O-CG 3.46Å; K857-Q861 PolarHBondContact O-N 3.14Å; I858-Q861 PolarHBondContact O-N 3.26Å; Y859-Q861 VanDerWaalsContact C-N 3.29Å; Y859-Q861 PolarHBondContact O-N 2.87Å; Q861-L865 WeakPolarHBondContact O-CB 3.37Å; Q861-L865 WeakPolarHBondContact O-CG 3.39Å; Q861-L865 PolarHBondContact O-N 3.02Å; Q861-L1005 HydrophobicContact CB-CD1 3.98Å
862	L	83.4	Confident	80.4	Confident	6 Å²	6	59.8 Å²	59.8	3%	0.031	28%	0.282	C	S	.	.	H	α-helix	trans	-61.3	-47.4	173.2	-79.8	171.7	0	0	0	111.7	I858 Y859 L865 Q866 E1004 L1005	I858-L862 HydrophobicContact CG2-CD1 3.93Å; I858-L862 WeakPolarHBondContact O-CB 3.45Å; I858-L862 WeakPolarHBondContact O-CG 3.33Å; I858-L862 PolarHBondContact O-N 2.73Å; Y859-L862 HydrophobicContact CD1-CD1 4.35Å; Y859-L862 PolarHBondContact O-N 3.04Å; Y859-L862 VanDerWaalsContact O-N 3.16Å; L862-L865 CarbonylContact O-C 3.47Å; L862-L865 PolarHBondContact O-N 3.33Å; L862-Q866 WeakPolarHBondContact O-CG 3.22Å; L862-Q866 PolarHBondContact O-N 2.98Å; L862-E1004 HydrophobicContact CD2-CB 4.27Å; L862-E1004 HydrophobicContact CD2-CG 4.01Å; L862-L1005 HydrophobicContact CD2-CB 3.93Å; L862-L1005 HydrophobicContact CD2-CD1 4.16Å; L862-L1005 HydrophobicContact CG-CB 4.2Å; L862-L1005 HydrophobicContact CG-CD1 4.26Å
863	D	83.1	Confident	79.1	Confident	88 Å²	88	58.7 Å²	58.7	47%	0.471	28%	0.276	S	S	.	.	H	α-helix	trans	-64.4	-43.7	178.8	-70.6	-14.9	0	0	0	110.8	Y859 L865 Q866 L867	Y859-D863 WeakPolarHBondContact O-CB 3.4Å; Y859-D863 PolarHBondContact O-N 3.37Å; D863-L865 VanDerWaalsContact C-N 3.32Å; D863-L865 PolarHBondContact O-N 2.99Å; D863-Q866 PolarHBondContact O-N 3.4Å; D863-L867 WeakPolarHBondContact O-CG 3.26Å; D863-L867 PolarHBondContact O-N 3.22Å
864	T	79.4	Confident	77.5	Confident	40 Å²	40	63 Å²	63	25%	0.245	29%	0.292	C	S	.	.	H	α-helix	trans	-56.2	-45.8	172.9	-59.5	0	0	0	0	111.4	E860 Q866 Y868 I890	E860-T864 WeakPolarHBondContact O-CB 3.49Å; E860-T864 PolarHBondContact O-N 3.46Å; E860-T864 PolarHBondContact O-OG1 3.07Å; T864-Q866 VanDerWaalsContact C-N 3.32Å; T864-Q866 PolarHBondContact O-N 3.16Å; T864-Y868 WeakPolarHBondContact O-CB 3.44Å; T864-Y868 PolarHBondContact O-N 2.86Å; T864-I890 HydrophobicContact CG2-CG1 4.01Å; T864-I890 HydrophobicContact CG2-CG2 4.49Å
865	L	75.6	Confident	75.7	Confident	7 Å²	7	69.6 Å²	69.6	4%	0.037	32%	0.32	C	S	.	.	H	α-helix	trans	-72.1	-21.4	177.5	-69.1	170.8	0	0	0	113.1	I843 Q861 L862 D863 K869 I981 L1005 S1008 V1009	I843-L865 HydrophobicContact CD1-CD1 4.19Å; Q861-L865 WeakPolarHBondContact O-CB 3.37Å; Q861-L865 WeakPolarHBondContact O-CG 3.39Å; Q861-L865 PolarHBondContact O-N 3.02Å; L862-L865 CarbonylContact O-C 3.47Å; L862-L865 PolarHBondContact O-N 3.33Å; D863-L865 VanDerWaalsContact C-N 3.32Å; D863-L865 PolarHBondContact O-N 2.99Å; L865-K869 WeakPolarHBondContact O-CD 3.32Å; L865-K869 WeakPolarHBondContact O-CE 3.23Å; L865-K869 WeakPolarHBondContact O-CG 3.44Å; L865-K869 PolarHBondContact O-N 3.46Å; L865-K869 PolarHBondContact O-NZ 2.77Å; L865-I981 HydrophobicContact CD2-CD1 3.6Å; L865-L1005 HydrophobicContact CD1-CD1 3.72Å; L865-S1008 WeakPolarHBondContact CD1-OG 3.39Å; L865-V1009 HydrophobicContact CD1-CG2 4.38Å
866	Q	76.1	Confident	74	Confident	82 Å²	82	75.3 Å²	75.3	38%	0.383	35%	0.349	S	S	.	.	H	α-helix	trans	-77.8	-49.7	171.7	-74.7	-178	26.2	0	0	110.9	L862 D863 T864 Y868 K869 D870	L862-Q866 WeakPolarHBondContact O-CG 3.22Å; L862-Q866 PolarHBondContact O-N 2.98Å; D863-Q866 PolarHBondContact O-N 3.4Å; T864-Q866 VanDerWaalsContact C-N 3.32Å; T864-Q866 PolarHBondContact O-N 3.16Å; Q866-Y868 VanDerWaalsContact C-N 3.26Å; Q866-Y868 PolarHBondContact O-N 2.83Å; Q866-K869 WeakPolarHBondContact O-CA 3.35Å; Q866-K869 WeakPolarHBondContact O-CB 3.43Å; Q866-K869 PolarHBondContact O-N 3.43Å; Q866-D870 PolarHBondContact O-N 2.74Å
867	L	75.1	Confident	72.2	Confident	126 Å²	126	74 Å²	74	66%	0.66	35%	0.352	S	S	*	.	H	α-helix	trans	-53.9	-43.4	174.1	-69.2	169.9	0	0	0	111.7	D863 K869 D870 Y871	D863-L867 WeakPolarHBondContact O-CG 3.26Å; D863-L867 PolarHBondContact O-N 3.22Å; L867-K869 PolarHBondContact O-N 3.23Å; L867-D870 PolarHBondContact O-N 3.08Å; L867-Y871 WeakPolarHBondContact O-CB 3.5Å; L867-Y871 PolarHBondContact O-N 3.47Å
868	Y	68.8	Low	70.1	Confident	41 Å²	41	77.7 Å²	77.7	16%	0.161	37%	0.371	C	S	.	.	H	α-helix	trans	-64.6	-37.1	176.3	-161.2	-108.2	0	0	0	113.1	T864 Q866 H872 A977 E979	T864-Y868 WeakPolarHBondContact O-CB 3.44Å; T864-Y868 PolarHBondContact O-N 2.86Å; Q866-Y868 VanDerWaalsContact C-N 3.26Å; Q866-Y868 PolarHBondContact O-N 2.83Å; Y868-H872 AromaticContact CD1-CD2 3.97Å; Y868-H872 AromaticContact CE1-CD2 3.63Å; Y868-H872 AromaticContact CE1-NE2 3.5Å; Y868-H872 AromaticContact CE2-NE2 3.81Å; Y868-H872 AromaticContact CZ-CD2 3.73Å; Y868-H872 AromaticContact CZ-NE2 3.21Å; Y868-H872 PolarHBondContact O-CD2 3.23Å; Y868-H872 PolarHBondContact O-N 3.01Å; Y868-H872 PolarHBondContact OH-NE2 2.85Å; Y868-H872 VanDerWaalsContact OH-NE2 3.1Å; Y868-A977 HydrophobicContact CE1-CB 4.49Å; Y868-E979 VanDerWaalsContact CZ-OE2 3.28Å; Y868-E979 PolarHBondContact OH-OE2 3.07Å
869	K	65.1	Low	67.8	Low	37 Å²	37	85.9 Å²	85.9	16%	0.161	41%	0.408	C	S	.	.	H	α-helix	trans	-66.8	-40.7	175.1	-72.6	158.2	-160.6	150.7	0	111.4	L865 Q866 L867 K873	L865-K869 WeakPolarHBondContact O-CD 3.32Å; L865-K869 WeakPolarHBondContact O-CE 3.23Å; L865-K869 WeakPolarHBondContact O-CG 3.44Å; L865-K869 PolarHBondContact O-N 3.46Å; L865-K869 PolarHBondContact O-NZ 2.77Å; Q866-K869 WeakPolarHBondContact O-CA 3.35Å; Q866-K869 WeakPolarHBondContact O-CB 3.43Å; Q866-K869 PolarHBondContact O-N 3.43Å; L867-K869 PolarHBondContact O-N 3.23Å; K869-K873 WeakPolarHBondContact O-CB 3.35Å; K869-K873 PolarHBondContact O-N 2.72Å
870	D	69.1	Low	65.3	Low	82 Å²	82	89.2 Å²	89.2	44%	0.439	43%	0.427	S	S	.	.	H	α-helix	trans	-75.2	-35.8	-176.6	-72.5	-25.2	0	0	0	112.2	Q866 L867 K873 Q874	Q866-D870 PolarHBondContact O-N 2.74Å; L867-D870 PolarHBondContact O-N 3.08Å; D870-K873 WeakPolarHBondContact O-CB 3.31Å; D870-K873 PolarHBondContact O-N 3.31Å; D870-Q874 PolarHBondContact O-N 2.7Å; D870-Q874 VanDerWaalsContact O-N 3.15Å
871	Y	64.1	Low	62.9	Low	83 Å²	83	93.2 Å²	93.2	33%	0.325	45%	0.451	S	S	.	.	H	α-helix	trans	-58.5	-51	172.6	-177.7	-98.5	0	0	0	112.6	L867 K873 Q874 K875 I887	L867-Y871 WeakPolarHBondContact O-CB 3.5Å; L867-Y871 PolarHBondContact O-N 3.47Å; Y871-K873 VanDerWaalsContact C-N 3.27Å; Y871-K873 PolarHBondContact O-N 3.19Å; Y871-Q874 PolarHBondContact O-N 2.71Å; Y871-Q874 VanDerWaalsContact O-N 3.16Å; Y871-K875 PolarHBondContact O-N 2.93Å; Y871-I887 HydrophobicContact CE1-CG1 4.4Å
872	H	61.2	Low	60.2	Low	46 Å²	46	97.7 Å²	97.7	21%	0.213	49%	0.486	C	S	.	.	H	α-helix	trans	-64.4	-32	177.2	-82	-72.9	0	0	0	112.7	Y868 Q874 K875 D876	Y868-H872 AromaticContact CD1-CD2 3.97Å; Y868-H872 AromaticContact CE1-CD2 3.63Å; Y868-H872 AromaticContact CE1-NE2 3.5Å; Y868-H872 AromaticContact CE2-NE2 3.81Å; Y868-H872 AromaticContact CZ-CD2 3.73Å; Y868-H872 AromaticContact CZ-NE2 3.21Å; Y868-H872 PolarHBondContact O-CD2 3.23Å; Y868-H872 PolarHBondContact O-N 3.01Å; Y868-H872 PolarHBondContact OH-NE2 2.85Å; Y868-H872 VanDerWaalsContact OH-NE2 3.1Å; H872-Q874 VanDerWaalsContact C-N 3.27Å; H872-Q874 PolarHBondContact O-N 3.15Å; H872-K875 WeakPolarHBondContact O-CB 3.4Å; H872-K875 PolarHBondContact O-N 3.1Å; H872-K875 VanDerWaalsContact O-N 3.12Å; H872-D876 PolarHBondContact O-N 3.41Å; H872-D876 VanDerWaalsContact O-N 3.14Å
873	K	61.2	Low	57.9	Low	116 Å²	116	100.7 Å²	100.7	50%	0.504	51%	0.508	S	S	.	.	H	α-helix	trans	-67.9	-24.6	176.6	-153.8	-174	-176.6	-162.8	0	113.4	K869 D870 Y871 N877	K869-K873 WeakPolarHBondContact O-CB 3.35Å; K869-K873 PolarHBondContact O-N 2.72Å; D870-K873 WeakPolarHBondContact O-CB 3.31Å; D870-K873 PolarHBondContact O-N 3.31Å; Y871-K873 VanDerWaalsContact C-N 3.27Å; Y871-K873 PolarHBondContact O-N 3.19Å; K873-N877 PolarHBondContact O-ND2 3.15Å
874	Q	56.9	Low	55.4	Low	127 Å²	127	102.7 Å²	102.7	59%	0.593	53%	0.529	S	S	*	.	H	α-helix	trans	-77.6	-36.1	170	-68.7	176.3	-3	0	0	111.3	D870 Y871 H872 N877 H878	D870-Q874 PolarHBondContact O-N 2.7Å; D870-Q874 VanDerWaalsContact O-N 3.15Å; Y871-Q874 PolarHBondContact O-N 2.71Å; Y871-Q874 VanDerWaalsContact O-N 3.16Å; H872-Q874 VanDerWaalsContact C-N 3.27Å; H872-Q874 PolarHBondContact O-N 3.15Å; Q874-N877 PolarHBondContact O-N 3.33Å; Q874-H878 PolarHBondContact O-N 2.64Å
875	K	51.3	Low	53.2	Low	139 Å²	139	109.3 Å²	109.3	60%	0.604	55%	0.55	S	S	*	*	H	α-helix	trans	-63.3	-42.9	178.8	-167.7	176.4	179.8	-179.1	0	112.9	Y871 H872 N877 H878	Y871-K875 PolarHBondContact O-N 2.93Å; H872-K875 WeakPolarHBondContact O-CB 3.4Å; H872-K875 PolarHBondContact O-N 3.1Å; H872-K875 VanDerWaalsContact O-N 3.12Å; K875-N877 PolarHBondContact O-N 3.49Å; K875-H878 PolarHBondContact O-N 3.12Å
876	D	53.7	Low	51.2	Low	133 Å²	133	115.7 Å²	115.7	71%	0.711	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	-20.5	176.1	-75.4	-13.2	0	0	0	113.3	H872	H872-D876 PolarHBondContact O-N 3.41Å; H872-D876 VanDerWaalsContact O-N 3.14Å
877	N	50	Low	49.2	Very low	128 Å²	128	116.5 Å²	116.5	68%	0.684	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	-13.2	179.9	-72.4	-23.5	0	0	0	114	K873 Q874 K875	K873-N877 PolarHBondContact O-ND2 3.15Å; Q874-N877 PolarHBondContact O-N 3.33Å; K875-N877 PolarHBondContact O-N 3.49Å
878	H	44.6	Very low	47.3	Very low	146 Å²	146	115.1 Å²	115.1	68%	0.676	59%	0.594	S	S	*	*			trans	-121.4	62.3	-176.5	-77.4	-66.9	0	0	0	112.7	Q874 K875 H880	Q874-H878 PolarHBondContact O-N 2.64Å; K875-H878 PolarHBondContact O-N 3.12Å; H878-H880 PolarHBondContact O-N 3.49Å
879	H	40.8	Very low	45.8	Very low	171 Å²	171	124 Å²	124	79%	0.792	63%	0.627	S	S	*	*			trans	-70.7	73.6	154.9	-89.2	-66.8	0	0	0	110
880	H	36.4	Very low	44.9	Very low	170 Å²	170	124 Å²	124	79%	0.787	63%	0.629	S	S	*	*	S	Bend	trans	166.3	86.3	154.8	-89	-60.5	0	0	0	109.3	H878	H878-H880 PolarHBondContact O-N 3.49Å
881	N	38.1	Very low	43.3	Very low	152 Å²	152	129.5 Å²	129.5	81%	0.813	65%	0.649	S	S	*	*			trans	169.9	114.9	138	-89.1	-19.4	0	0	0	110.6	S883	N881-S883 PolarHBondContact O-N 3.48Å
882	S	29.7	Very low	41.8	Very low	131 Å²	131	129 Å²	129	92%	0.916	66%	0.655	S	S	*	*			trans	-78.1	96.2	174.6	50.2	0	0	0	0	110.7
883	S	35.7	Very low	40.2	Very low	69 Å²	69	134.1 Å²	134.1	48%	0.483	68%	0.682	S	S	.	*			trans	-131.3	131	166.8	51.2	0	0	0	0	110.3	N881 Y885	N881-S883 PolarHBondContact O-N 3.48Å; S883-Y885 WeakPolarHBondContact O-CD2 3.44Å; S883-Y885 PolarHBondContact O-N 3.34Å; S883-Y885 VanDerWaalsContact OG-CE2 3.28Å; S883-Y885 WeakPolarHBondContact OG-CE2 3.37Å
884	S	31	Very low	38.5	Very low	131 Å²	131	134.6 Å²	134.6	92%	0.916	69%	0.69	S	S	*	*			trans	-77.7	90.1	-164.8	-53.6	0	0	0	0	112.5
885	Y	33	Very low	37.1	Very low	179 Å²	179	138.8 Å²	138.8	70%	0.702	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-99.1	128.8	171.2	-65.4	-70.8	0	0	0	111.7	S883	S883-Y885 WeakPolarHBondContact O-CD2 3.44Å; S883-Y885 PolarHBondContact O-N 3.34Å; S883-Y885 VanDerWaalsContact OG-CE2 3.28Å; S883-Y885 WeakPolarHBondContact OG-CE2 3.37Å
886	T	33.9	Very low	36	Very low	141 Å²	141	135.4 Å²	135.4	87%	0.865	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-74.9	122.5	-178.6	33.8	0	0	0	0	111.4
887	I	34.4	Very low	34.7	Very low	99 Å²	99	140.5 Å²	140.5	51%	0.508	72%	0.716	S	S	.	*	P	Polyproline II helix	trans	-62.6	130.3	177.2	-61.6	166.1	0	0	0	109.3	Y871 R889	Y871-I887 HydrophobicContact CE1-CG1 4.4Å; I887-R889 PolarHBondContact O-N 3Å
888	P	35	Very low	33.6	Very low	97 Å²	97	140.4 Å²	140.4	63%	0.63	73%	0.725	S	S	*	*			trans	-67.2	97.6	166.6	28.6	-32.5	0	0	0	108.2	I890	P888-I890 PolarHBondContact O-N 2.96Å
889	R	37	Very low	33	Very low	226 Å²	226	138.3 Å²	138.3	85%	0.853	73%	0.728	S	S	*	*			trans	-55.3	127.2	170.5	-82.5	-177.1	170.4	162.1	-1.7	108.2	I887 K891	I887-R889 PolarHBondContact O-N 3Å; R889-K891 PolarHBondContact O-N 3.45Å
890	I	45.3	Very low	32.4	Very low	39 Å²	39	135 Å²	135	20%	0.2	72%	0.724	C	S	.	*			trans	-45.9	129.2	161.9	-60.7	173.9	0	0	0	106.5	T864 P888 T892	T864-I890 HydrophobicContact CG2-CG1 4.01Å; T864-I890 HydrophobicContact CG2-CG2 4.49Å; P888-I890 PolarHBondContact O-N 2.96Å; I890-T892 PolarHBondContact O-N 2.89Å
891	K	35.3	Very low	31.9	Very low	196 Å²	196	135.7 Å²	135.7	85%	0.852	73%	0.729	S	S	*	*			trans	-66.2	81.2	-177.7	-82.1	-178.9	177.1	172.2	0	110.5	R889	R889-K891 PolarHBondContact O-N 3.45Å
892	T	33.1	Very low	31.5	Very low	74 Å²	74	134.2 Å²	134.2	45%	0.454	73%	0.731	S	S	.	*			trans	-80.3	117.9	172.5	54.2	0	0	0	0	109	I890 N894	I890-T892 PolarHBondContact O-N 2.89Å; T892-N894 WeakPolarHBondContact CB-OD1 3.36Å; T892-N894 PolarHBondContact O-N 3.29Å; T892-N894 PolarHBondContact OG1-OD1 3.35Å
893	I	27.5	Very low	31.3	Very low	153 Å²	153	139.5 Å²	139.5	79%	0.785	73%	0.731	S	S	*	*			trans	-73	89.8	161.3	-61.7	175.7	0	0	0	106.2	Y895	I893-Y895 PolarHBondContact O-N 3.02Å
894	N	26.6	Very low	31	Very low	126 Å²	126	141.5 Å²	141.5	67%	0.674	75%	0.745	S	S	*	*			trans	-65.1	112.9	170.7	-73.8	10.9	0	0	0	108.3	T892 G896	T892-N894 WeakPolarHBondContact CB-OD1 3.36Å; T892-N894 PolarHBondContact O-N 3.29Å; T892-N894 PolarHBondContact OG1-OD1 3.35Å; N894-G896 PolarHBondContact O-N 3.09Å
895	Y	26.3	Very low	30.8	Very low	214 Å²	214	140.3 Å²	140.3	84%	0.839	74%	0.736	S	S	*	*	S	Bend	trans	-65.5	124.9	158.7	-82.4	-103	0	0	0	107.6	I893	I893-Y895 PolarHBondContact O-N 3.02Å
896	G	28.2	Very low	30.6	Very low	69 Å²	69	137 Å²	137	71%	0.711	74%	0.739	S	S	*	*			trans	102.8	75.4	174.7	0	0	0	0	0	115.9	N894	N894-G896 PolarHBondContact O-N 3.09Å
897	R	27.4	Very low	30.3	Very low	240 Å²	240	138 Å²	138	91%	0.906	74%	0.736	S	S	*	*			trans	-156.5	81.1	146.2	-124.9	178.4	-173	-177.8	2.2	112.4
898	S	27.3	Very low	30	Very low	125 Å²	125	139.1 Å²	139.1	87%	0.874	74%	0.743	S	S	*	*			trans	-106.7	95.4	164	55	0	0	0	0	109.2
899	S	31.9	Very low	29.7	Very low	103 Å²	103	143.4 Å²	143.4	72%	0.72	75%	0.751	S	S	*	*			trans	-140.6	105.9	172.3	58.6	0	0	0	0	109.8
900	S	27.4	Very low	29.3	Very low	102 Å²	102	136.9 Å²	136.9	71%	0.713	74%	0.74	S	S	*	*			trans	-80.4	150	172.7	48.1	0	0	0	0	111.9
901	M	25.9	Very low	28.6	Very low	183 Å²	183	140 Å²	140	90%	0.901	77%	0.766	S	S	*	*			trans	64.7	126.2	169.8	-65.9	152.8	56.7	0	0	114.5
902	S	29.9	Very low	28.3	Very low	121 Å²	121	135.7 Å²	135.7	85%	0.846	76%	0.76	S	S	*	*				-165.3	-175.2	51.6	56.2	0	0	0	0	112.9
903	R	24.7	Very low	28	Very low	243 Å²	243	140 Å²	140	92%	0.917	78%	0.777	S	S	*	*			trans	-71.7	140	-168	-59.7	159.2	170.2	158.4	-6.3	114.4
904	S	30	Very low	28.2	Very low	111 Å²	111	137.3 Å²	137.3	78%	0.776	77%	0.772	S	S	*	*				-173.5	111.3	126.7	41.9	0	0	0	0	114.7
905	S	26.6	Very low	28.5	Very low	105 Å²	105	138 Å²	138	73%	0.734	77%	0.765	S	S	*	*			trans	29	136.5	138.6	55.6	0	0	0	0	123.8
906	S	28.8	Very low	28.8	Very low	110 Å²	110	131.1 Å²	131.1	77%	0.769	75%	0.748	S	S	*	*			trans	80.3	141.9	146.7	83.7	0	0	0	0	117.4
907	M	27.4	Very low	29	Very low	161 Å²	161	132.6 Å²	132.6	79%	0.793	75%	0.747	S	S	*	*			cis	-160.2	159.6	-5.4	-131.4	-172.9	-179.6	0	0	111.8
908	L	28.8	Very low	29.2	Very low	123 Å²	123	126.2 Å²	126.2	64%	0.644	74%	0.74	S	S	*	*			trans	68.2	105.5	156.4	-59.3	162.8	0	0	0	116.9
909	K	28.5	Very low	29.4	Very low	187 Å²	187	128 Å²	128	81%	0.813	74%	0.736	S	S	*	*				78	136.9	81.5	-80.4	-170.5	-166.3	175.4	0	113.1
910	S	29.1	Very low	29.3	Very low	89 Å²	89	129 Å²	129	62%	0.622	73%	0.733	S	S	*	*			cis	-177.6	155.2	-10.9	44.8	0	0	0	0	110.1
911	S	29.7	Very low	29.4	Very low	105 Å²	105	132.9 Å²	132.9	73%	0.734	74%	0.737	S	S	*	*			trans	55.6	145.9	141.5	59.9	0	0	0	0	121
912	S	29.9	Very low	29.7	Very low	106 Å²	106	129.3 Å²	129.3	74%	0.741	73%	0.73	S	S	*	*			cis	177.5	154.3	-4.1	45.4	0	0	0	0	110
913	M	25.8	Very low	29.8	Very low	165 Å²	165	128.2 Å²	128.2	81%	0.813	72%	0.722	S	S	*	*			trans	-146.8	148.5	149.1	-113.5	171.6	73.5	0	0	109.9	S937	M913-S937 PolarHBondContact O-OG 2.93Å
914	S	32.5	Very low	30.1	Very low	95 Å²	95	121.8 Å²	121.8	66%	0.664	72%	0.715	S	S	*	*			trans	-141.2	130.5	-161.7	64.3	0	0	0	0	116.5	S937	S914-S937 WeakPolarHBondContact CA-OG 3.31Å; S914-S937 PolarHBondContact N-OG 3.21Å
915	R	31.8	Very low	30.1	Very low	141 Å²	141	120.4 Å²	120.4	53%	0.532	71%	0.705	S	S	.	*			trans	93.8	116.9	130.8	-87.7	180	171	-176	-7.6	122.8	N935 N936 S937	R915-N935 PolarHBondContact NH2-ND2 3.23Å; R915-N935 PolarHBondContact NH2-OD1 3.2Å; R915-N936 HydrophobicContact CG-CB 3.9Å; R915-N936 WeakPolarHBondContact CG-ND2 3.23Å; R915-N936 WeakPolarHBondContact CG-OD1 3.48Å; R915-N936 PolarHBondContact NE-ND2 3.22Å; R915-N936 VanDerWaalsContact NE-ND2 3.18Å; R915-S937 PolarHBondContact N-OG 3.48Å
916	S	32.7	Very low	30.4	Very low	70 Å²	70	124.9 Å²	124.9	49%	0.49	71%	0.707	S	S	.	*				74.3	151.9	123.2	71.5	0	0	0	0	119.9
917	S	32.4	Very low	30.5	Very low	99 Å²	99	126.6 Å²	126.6	69%	0.692	71%	0.705	S	S	*	*			cis	-177.9	170.4	-12.1	48.4	0	0	0	0	112.3
918	S	32.8	Very low	30.5	Very low	107 Å²	107	126.1 Å²	126.1	75%	0.748	71%	0.705	S	S	*	*			trans	84.4	148.2	155.6	90.1	0	0	0	0	117.2
919	M	29.9	Very low	30.6	Very low	162 Å²	162	123.8 Å²	123.8	80%	0.798	71%	0.711	S	S	*	*			cis	-164.8	162.5	0.9	-137.5	-173.2	-165.4	0	0	114.3
920	L	30.6	Very low	30.7	Very low	123 Å²	123	122.6 Å²	122.6	64%	0.644	71%	0.71	S	S	*	*			trans	90.9	115	148	-65.9	157.8	0	0	0	123.6
921	K	30.6	Very low	30.7	Very low	185 Å²	185	127.9 Å²	127.9	80%	0.804	72%	0.718	S	S	*	*			trans	66.3	142.4	138	-66.3	168.9	176.8	170.2	0	118.7
922	S	31	Very low	30.6	Very low	107 Å²	107	128.8 Å²	128.8	75%	0.748	71%	0.714	S	S	*	*			cis	-176.1	163.4	-9.9	52	0	0	0	0	107.2
923	S	31.7	Very low	30.7	Very low	98 Å²	98	129 Å²	129	69%	0.685	71%	0.707	S	S	*	*			cis	-154.6	171.3	19.3	-71.4	0	0	0	0	111.7
924	S	32.7	Very low	30.9	Very low	109 Å²	109	126.9 Å²	126.9	76%	0.762	70%	0.699	S	S	*	*			trans	51.1	137.8	144.5	60.5	0	0	0	0	123.2
925	S	29.7	Very low	30.8	Very low	81 Å²	81	126.8 Å²	126.8	57%	0.566	69%	0.691	S	S	*	*			cis	-178.7	147.1	-14.3	44.9	0	0	0	0	112.8
926	Y	32.1	Very low	30.7	Very low	200 Å²	200	123.8 Å²	123.8	78%	0.784	69%	0.686	S	S	*	*			trans	88.9	130.9	156.6	-54.8	-58.3	0	0	0	118.1
927	M	30.9	Very low	30.7	Very low	146 Å²	146	123 Å²	123	72%	0.719	68%	0.68	S	S	*	*			cis	-144.5	126.7	-6.5	-92.1	-93.1	-167.6	0	0	107
928	N	27.7	Very low	30.5	Very low	151 Å²	151	123.2 Å²	123.2	81%	0.807	67%	0.673	S	S	*	*				55.9	130	94.9	-67.2	-18.7	0	0	0	115.3
929	G	31.3	Very low	30.4	Very low	73 Å²	73	125.1 Å²	125.1	75%	0.753	68%	0.675	S	S	*	*			cis	-155.9	-161.9	-1.9	0	0	0	0	0	109.9
930	M	29.7	Very low	30.3	Very low	163 Å²	163	123.8 Å²	123.8	80%	0.803	67%	0.671	S	S	*	*			cis	-156.6	139.7	12	-97.3	169.5	64.8	0	0	109.3
931	Y	29.4	Very low	30.1	Very low	200 Å²	200	123.4 Å²	123.4	78%	0.784	67%	0.674	S	S	*	*			trans	59.2	153.6	142.5	-76	-115.7	0	0	0	119.3
932	N	28.2	Very low	29.8	Very low	123 Å²	123	124.9 Å²	124.9	66%	0.658	68%	0.677	S	S	*	*			cis	-168.7	156.1	-25.7	-129.9	-2.2	0	0	0	102.2
933	N	30.2	Very low	29.6	Very low	111 Å²	111	129.9 Å²	129.9	59%	0.594	68%	0.68	S	S	*	*			cis	-178.9	152.6	35.8	-141.9	-15.2	0	0	0	107.5
934	N	30.8	Very low	29.2	Very low	121 Å²	121	135.8 Å²	135.8	65%	0.647	69%	0.689	S	S	*	*			trans	64	142.8	152.7	-64.1	-33.2	0	0	0	120.1
935	N	31.3	Very low	28.9	Very low	92 Å²	92	136.6 Å²	136.6	49%	0.492	69%	0.693	S	S	.	*			cis	-168.6	116.6	1.7	-109.8	-41.4	0	0	0	110.7	R915	R915-N935 PolarHBondContact NH2-ND2 3.23Å; R915-N935 PolarHBondContact NH2-OD1 3.2Å
936	N	29.8	Very low	28.7	Very low	79 Å²	79	135.5 Å²	135.5	42%	0.422	70%	0.695	S	S	.	*			trans	60.2	152.7	150.3	-41.8	-80.3	0	0	0	120.4	R915	R915-N936 HydrophobicContact CG-CB 3.9Å; R915-N936 WeakPolarHBondContact CG-ND2 3.23Å; R915-N936 WeakPolarHBondContact CG-OD1 3.48Å; R915-N936 PolarHBondContact NE-ND2 3.22Å; R915-N936 VanDerWaalsContact NE-ND2 3.18Å
937	S	32.1	Very low	28.4	Very low	53 Å²	53	134.1 Å²	134.1	37%	0.371	70%	0.702	S	S	.	*			cis	-158.3	160	12.1	-16.7	0	0	0	0	112.7	M913 S914 R915	M913-S937 PolarHBondContact O-OG 2.93Å; S914-S937 WeakPolarHBondContact CA-OG 3.31Å; S914-S937 PolarHBondContact N-OG 3.21Å; R915-S937 PolarHBondContact N-OG 3.48Å
938	N	28.8	Very low	28.2	Very low	103 Å²	103	131.9 Å²	131.9	55%	0.551	70%	0.7	S	S	*	*			trans	8	142.9	142.8	-41	5.7	0	0	0	118.3
939	D	31	Very low	28.2	Very low	147 Å²	147	135.4 Å²	135.4	79%	0.786	71%	0.708	S	S	*	*			cis	-134	161.5	46.2	-71.4	-37.1	0	0	0	117.2
940	D	26.2	Very low	28.3	Very low	134 Å²	134	135.6 Å²	135.6	72%	0.717	70%	0.698	S	S	*	*			trans	-71.1	158	178.8	-53	-78.4	0	0	0	113.1
941	T	27.9	Very low	28.4	Very low	115 Å²	115	133.2 Å²	133.2	71%	0.706	69%	0.689	S	S	*	*				-173.2	142.9	69.2	27.4	0	0	0	0	112.1
942	Y	23.4	Very low	28.4	Very low	217 Å²	217	132.5 Å²	132.5	85%	0.851	69%	0.69	S	S	*	*			trans	-81.5	141.3	160.6	-77.8	-104.7	0	0	0	110
943	Y	26	Very low	28.4	Very low	212 Å²	212	135.2 Å²	135.2	83%	0.831	70%	0.696	S	S	*	*			trans	-134	106.3	153.7	-91.2	-78.2	0	0	0	111.4
944	Y	24	Very low	28.6	Very low	221 Å²	221	135.5 Å²	135.5	87%	0.867	70%	0.697	S	S	*	*			trans	-63.2	135	148.3	-95.2	-97.4	0	0	0	108.3
945	C	26.3	Very low	28.7	Very low	126 Å²	126	137.4 Å²	137.4	85%	0.851	70%	0.7	S	S	*	*			trans	-148.3	116.5	152.3	-159.1	0	0	0	0	110.3
946	G	25.9	Very low	29	Very low	59 Å²	59	138.5 Å²	138.5	61%	0.608	71%	0.706	S	S	*	*			trans	-81.3	-175.4	167	0	0	0	0	0	111.5
947	N	24.8	Very low	29.3	Very low	171 Å²	171	144.4 Å²	144.4	91%	0.914	72%	0.722	S	S	*	*			trans	60.2	84.8	171.6	-67.2	-15.5	0	0	0	117.2
948	S	28.1	Very low	29.6	Very low	99 Å²	99	149.8 Å²	149.8	69%	0.692	74%	0.739	S	S	*	*				-151.1	128.5	126	-162.6	0	0	0	0	112.8	S950	S948-S950 VanDerWaalsContact C-N 3.33Å; S948-S950 PolarHBondContact O-N 3.48Å
949	K	28	Very low	30	Very low	224 Å²	224	149.6 Å²	149.6	97%	0.974	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	74.7	176.7	-70.3	175.2	175.9	173.6	0	110.3
950	S	32.6	Very low	30.3	Very low	77 Å²	77	145.8 Å²	145.8	54%	0.538	72%	0.719	S	S	.	*	T	Hydrogen-bonded Turn	trans	-148.7	-19.7	-179.4	56	0	0	0	0	116.7	S948 F952	S948-S950 VanDerWaalsContact C-N 3.33Å; S948-S950 PolarHBondContact O-N 3.48Å; S950-F952 PolarHBondContact O-N 3.34Å
951	N	31.2	Very low	30.8	Very low	113 Å²	113	145 Å²	145	60%	0.604	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-89.9	5.2	-167.2	-78.6	-34	0	0	0	117.3	F953 L954	N951-F953 PolarHBondContact O-N 2.89Å; N951-L954 PolarHBondContact O-N 3.26Å
952	F	29.4	Very low	31.4	Very low	186 Å²	186	142 Å²	142	82%	0.816	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-62.4	-24.7	179.5	-166	-105.6	0	0	0	113.4	S950	S950-F952 PolarHBondContact O-N 3.34Å
953	F	29.3	Very low	32.1	Very low	180 Å²	180	133 Å²	133	79%	0.789	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-82.6	-20.4	-177	-127.5	-97.1	0	0	0	114.8	N951	N951-F953 PolarHBondContact O-N 2.89Å
954	L	34.3	Very low	32.7	Very low	117 Å²	117	131.8 Å²	131.8	61%	0.613	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-24.5	-174.1	-103.7	159.1	0	0	0	113.8	N951 N956 R957	N951-L954 PolarHBondContact O-N 3.26Å; L954-N956 VanDerWaalsContact C-N 3.33Å; L954-N956 PolarHBondContact O-N 2.89Å; L954-R957 PolarHBondContact O-N 3.1Å
955	F	33.1	Very low	33.4	Very low	161 Å²	161	125.7 Å²	125.7	71%	0.706	63%	0.63	S	S	*	*	H	α-helix	trans	-66.9	-33.3	179.5	-134.7	-94.4	0	0	0	112.7	R957 K958	F955-R957 PolarHBondContact O-N 3.44Å; F955-K958 PolarHBondContact O-N 2.72Å
956	N	35.9	Very low	34.2	Very low	114 Å²	114	122.9 Å²	122.9	61%	0.61	61%	0.606	S	S	*	*	H	α-helix	trans	-63.6	-24.7	177.7	-92	-30.8	0	0	0	113.8	L954	L954-N956 VanDerWaalsContact C-N 3.33Å; L954-N956 PolarHBondContact O-N 2.89Å
957	R	36.9	Very low	34.8	Very low	204 Å²	204	126.9 Å²	126.9	77%	0.77	60%	0.602	S	S	*	*	H	α-helix	trans	-76.1	-33.6	-178.1	-131.5	174.8	-177.9	-177	-0.1	112.7	L954 F955 C960	L954-R957 PolarHBondContact O-N 3.1Å; F955-R957 PolarHBondContact O-N 3.44Å; R957-C960 PolarHBondContact O-N 3.13Å
958	K	37.7	Very low	35.5	Very low	165 Å²	165	128 Å²	128	72%	0.717	60%	0.595	S	S	*	*	H	α-helix	trans	-67.1	-38.8	173.3	-78.7	-170.6	174.7	-175.5	0	112.1	F955 C960 L961 L962	F955-K958 PolarHBondContact O-N 2.72Å; K958-C960 PolarHBondContact O-N 3.31Å; K958-L961 PolarHBondContact O-N 3.06Å; K958-L961 VanDerWaalsContact O-N 3.11Å; K958-L962 PolarHBondContact O-N 3.05Å
959	H	37.4	Very low	36.1	Very low	99 Å²	99	126.1 Å²	126.1	46%	0.458	58%	0.575	S	S	.	*	H	α-helix	trans	-58	-31.3	175.7	-116	-91	0	0	0	113.4
960	C	38	Very low	36.9	Very low	68 Å²	68	118.6 Å²	118.6	46%	0.459	54%	0.543	S	S	.	.	H	α-helix	trans	-76.6	-28.1	179.5	-157.3	0	0	0	0	113.3	R957 K958 R1038	R957-C960 PolarHBondContact O-N 3.13Å; K958-C960 PolarHBondContact O-N 3.31Å; C960-R1038 PolarHBondContact O-NH2 2.89Å; C960-R1038 PolarHBondContact SG-NH2 2.97Å
961	L	37.6	Very low	37.4	Very low	118 Å²	118	123.2 Å²	123.2	62%	0.618	55%	0.553	S	S	*	*	H	α-helix	trans	-75.6	-39.7	175	-72.5	171.6	0	0	0	112.2	K958 N963 R964 Y965	K958-L961 PolarHBondContact O-N 3.06Å; K958-L961 VanDerWaalsContact O-N 3.11Å; L961-N963 PolarHBondContact O-N 3.45Å; L961-R964 PolarHBondContact O-N 3.43Å; L961-Y965 WeakPolarHBondContact O-CB 3.29Å; L961-Y965 PolarHBondContact O-N 3.22Å
962	L	38.6	Very low	37.7	Very low	50 Å²	50	126.3 Å²	126.3	26%	0.262	56%	0.561	S	S	.	*	H	α-helix	trans	-52.8	-42.7	172.8	-156.6	78.8	0	0	0	111	K958 R964 Y965 I966	K958-L962 PolarHBondContact O-N 3.05Å; L962-R964 VanDerWaalsContact C-N 3.26Å; L962-R964 PolarHBondContact O-N 3.48Å; L962-Y965 PolarHBondContact O-N 3.34Å; L962-I966 HydrophobicContact CD2-CD1 4.12Å; L962-I966 HydrophobicContact CG-CD1 3.86Å; L962-I966 HydrophobicContact CG-CG1 4.41Å; L962-I966 WeakPolarHBondContact O-CG1 3.5Å; L962-I966 PolarHBondContact O-N 3.07Å
963	N	39	Very low	38.2	Very low	29 Å²	29	124.7 Å²	124.7	16%	0.155	56%	0.556	C	S	.	*	H	α-helix	trans	-66	-15.4	176.2	-86.8	-18.2	0	0	0	115.9	L961 R967 H1036	L961-N963 PolarHBondContact O-N 3.45Å; N963-R967 PolarHBondContact O-NE 3.5Å; N963-R967 VanDerWaalsContact O-NE 3.15Å; N963-R967 PolarHBondContact O-NH2 3.25Å; N963-H1036 PolarHBondContact OD1-O 3.12Å
964	R	38.8	Very low	38.7	Very low	186 Å²	186	118 Å²	118	70%	0.702	53%	0.531	S	S	*	.	H	α-helix	trans	-96.5	-36	172	-135	175.7	-172.4	169.6	1.3	110.5	L961 L962 R967 Y968	L961-R964 PolarHBondContact O-N 3.43Å; L962-R964 VanDerWaalsContact C-N 3.26Å; L962-R964 PolarHBondContact O-N 3.48Å; R964-R967 PolarHBondContact O-N 3.21Å; R964-Y968 PolarHBondContact O-N 3.14Å
965	Y	38.3	Very low	38.7	Very low	94 Å²	94	113.2 Å²	113.2	37%	0.369	51%	0.509	S	S	.	.	H	α-helix	trans	-71.7	-46.4	-177.6	-157.1	-105.6	0	0	0	113.1	L961 L962 R967 Y968 K969	L961-Y965 WeakPolarHBondContact O-CB 3.29Å; L961-Y965 PolarHBondContact O-N 3.22Å; L962-Y965 PolarHBondContact O-N 3.34Å; Y965-R967 PolarHBondContact O-N 3.17Å; Y965-Y968 PolarHBondContact O-N 2.93Å; Y965-K969 HydrophobicContact CD1-CD 4.22Å; Y965-K969 HydrophobicContact CE1-CD 3.63Å; Y965-K969 PolarHBondContact O-N 3.39Å; Y965-K969 VanDerWaalsContact O-N 3.08Å; Y965-K969 VanDerWaalsContact OH-CE 3.3Å; Y965-K969 WeakPolarHBondContact OH-CE 3.22Å; Y965-K969 PolarHBondContact OH-NZ 3.12Å
966	I	43.1	Very low	39	Very low	67 Å²	67	110 Å²	110	34%	0.344	50%	0.498	S	S	.	.	H	α-helix	trans	-58.1	-34.4	174.5	-67.2	168.7	0	0	0	111.1	L962 H970	L962-I966 HydrophobicContact CD2-CD1 4.12Å; L962-I966 HydrophobicContact CG-CD1 3.86Å; L962-I966 HydrophobicContact CG-CG1 4.41Å; L962-I966 WeakPolarHBondContact O-CG1 3.5Å; L962-I966 PolarHBondContact O-N 3.07Å; I966-H970 PolarHBondContact O-CD2 2.97Å
967	R	39.7	Very low	39	Very low	142 Å²	142	106.2 Å²	106.2	54%	0.536	48%	0.483	S	S	.	.	H	α-helix	trans	-75.8	-26.8	-177.4	-123.7	179.9	-60.4	-169.1	-0.3	114.5	N963 R964 Y965 R1038	N963-R967 PolarHBondContact O-NE 3.5Å; N963-R967 VanDerWaalsContact O-NE 3.15Å; N963-R967 PolarHBondContact O-NH2 3.25Å; R964-R967 PolarHBondContact O-N 3.21Å; Y965-R967 PolarHBondContact O-N 3.17Å; R967-R1038 VanDerWaalsContact NH2-CD 3.31Å
968	Y	39.3	Very low	39.5	Very low	195 Å²	195	104.8 Å²	104.8	77%	0.765	49%	0.49	S	S	*	.	H	α-helix	trans	-91.7	-33.1	176.7	-100.6	-98.2	0	0	0	113.1	R964 Y965	R964-Y968 PolarHBondContact O-N 3.14Å; Y965-Y968 PolarHBondContact O-N 2.93Å
969	K	38.7	Very low	40.4	Very low	60 Å²	60	101.6 Å²	101.6	26%	0.261	48%	0.478	S	S	.	.	H	α-helix	trans	-73.5	-26.9	-174.6	-103.2	-175.6	179.6	-174.9	0	115.5	Y965 K971 K972 I976	Y965-K969 HydrophobicContact CD1-CD 4.22Å; Y965-K969 HydrophobicContact CE1-CD 3.63Å; Y965-K969 PolarHBondContact O-N 3.39Å; Y965-K969 VanDerWaalsContact O-N 3.08Å; Y965-K969 VanDerWaalsContact OH-CE 3.3Å; Y965-K969 WeakPolarHBondContact OH-CE 3.22Å; Y965-K969 PolarHBondContact OH-NZ 3.12Å; K969-K971 PolarHBondContact O-N 2.95Å; K969-K972 PolarHBondContact O-N 2.94Å; K969-I976 HydrophobicContact CD-CD1 3.93Å; K969-I976 HydrophobicContact CD-CG1 3.9Å
970	H	46.8	Very low	42	Very low	66 Å²	66	98.1 Å²	98.1	31%	0.306	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	0.4	179.2	-82.7	-49.5	0	0	0	115.6	K454 I966	K454-H970 PolarHBondContact NZ-CE1 3.21Å; K454-H970 PolarHBondContact NZ-NE2 3.26Å; I966-H970 PolarHBondContact O-CD2 2.97Å
971	K	41.9	Very low	44.2	Very low	174 Å²	174	95.5 Å²	95.5	76%	0.757	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-26.1	175.5	-82	-169.5	171.6	-173.5	0	114.7	K969	K969-K971 PolarHBondContact O-N 2.95Å
972	K	37.4	Very low	46.5	Very low	177 Å²	177	89.9 Å²	89.9	77%	0.77	42%	0.417	S	S	*	.	S	Bend	trans	-115.1	164	169.7	-69.9	-175.3	176.7	-177.1	0	109.1	K969	K969-K972 PolarHBondContact O-N 2.94Å
973	H	41.1	Very low	49	Very low	153 Å²	153	87.5 Å²	87.5	71%	0.708	40%	0.404	S	S	*	.			trans	-51.9	149	-174.3	-60.3	-91.5	0	0	0	112.2	G975	H973-G975 PolarHBondContact O-N 3.1Å
974	P	38.1	Very low	51.6	Low	40 Å²	40	86.1 Å²	86.1	26%	0.26	40%	0.397	S	S	.	.	S	Bend	trans	-71.1	61.4	176.1	31.2	-36.8	0	0	0	111.9	V1009 T1010	P974-V1009 CarbonylContact O-C 3.54Å; P974-T1010 HydrophobicContact CG-CG2 4.45Å; P974-T1010 WeakPolarHBondContact O-CA 3.33Å; P974-T1010 WeakPolarHBondContact O-CG2 3.25Å; P974-T1010 PolarHBondContact O-N 3.34Å
975	G	34.1	Very low	54.2	Low	15 Å²	15	77.2 Å²	77.2	16%	0.155	36%	0.363	C	S	.	.	S	Bend	trans	-178.3	91.3	-172.1	0	0	0	0	0	105.2	H973 A977	H973-G975 PolarHBondContact O-N 3.1Å; G975-A977 PolarHBondContact O-N 3.36Å
976	I	39.7	Very low	56.6	Low	93 Å²	93	72.9 Å²	72.9	48%	0.477	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	1	-155.9	-64.5	111.3	0	0	0	113.2	K969	K969-I976 HydrophobicContact CD-CD1 3.93Å; K969-I976 HydrophobicContact CD-CG1 3.9Å
977	A	36.9	Very low	58.5	Low	35 Å²	35	69.9 Å²	69.9	29%	0.289	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.1	47.5	-177.5	0	0	0	0	0	112.7	Y868 G975 E979	Y868-A977 HydrophobicContact CE1-CB 4.49Å; G975-A977 PolarHBondContact O-N 3.36Å; A977-E979 PolarHBondContact O-N 3.08Å
978	N	47	Very low	60.7	Low	174 Å²	174	69.5 Å²	69.5	93%	0.93	33%	0.334	S	S	*	.	S	Bend	trans	58.2	-13.6	-179.3	-82.9	-0.1	0	0	0	117.8
979	E	56.1	Low	63.1	Low	98 Å²	98	60.2 Å²	60.2	46%	0.458	30%	0.298	S	S	.	.			trans	-81	124.9	176.3	-68.5	173	157	0	0	110.7	Y868 A977	Y868-E979 VanDerWaalsContact CZ-OE2 3.28Å; Y868-E979 PolarHBondContact OH-OE2 3.07Å; A977-E979 PolarHBondContact O-N 3.08Å
980	S	71.7	Confident	65.6	Low	26 Å²	26	57.4 Å²	57.4	18%	0.182	29%	0.286	C	S	.	.			trans	-76.4	135.1	169	52.1	0	0	0	0	109.6	T837 M840 S841	T837-S980 PolarHBondContact OG1-OG 3.32Å; M840-S980 WeakPolarHBondContact CA-OG 3.5Å; M840-S980 WeakPolarHBondContact CB-OG 3.36Å; M840-S980 WeakPolarHBondContact CG-O 3.06Å; M840-S980 WeakPolarHBondContact CG-OG 3.36Å; S841-S980 PolarHBondContact N-O 3.34Å; S841-S980 VanDerWaalsContact N-O 3.09Å
981	I	83.3	Confident	67.5	Low	13 Å²	13	60.4 Å²	60.4	7%	0.067	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128	176.6	-50.7	-176.7	0	0	0	107.1	M840 S841 I843 L865 V1009 T1010 T1011	M840-I981 VanDerWaalsContact CE-O 3.26Å; M840-I981 WeakPolarHBondContact CE-O 3.29Å; S841-I981 CarbonylContact O-C 3.55Å; S841-I981 WeakPolarHBondContact O-CA 3.41Å; I843-I981 HydrophobicContact CD1-CG2 3.72Å; I843-I981 HydrophobicContact CG1-CG2 4.06Å; L865-I981 HydrophobicContact CD2-CD1 3.6Å; I981-V1009 HydrophobicContact CG2-CG1 4.37Å; I981-V1009 HydrophobicContact CG2-CG2 4.3Å; I981-V1009 WeakPolarHBondContact O-CG1 3.45Å; I981-T1010 PolarHBondContact N-OG1 2.9Å; I981-T1010 VanDerWaalsContact N-OG1 3.17Å; I981-T1010 PolarHBondContact O-N 3.07Å; I981-T1010 PolarHBondContact O-OG1 3.11Å; I981-T1011 PolarHBondContact O-N 2.95Å
982	G	87.3	Confident	69.9	Low	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	143.9	176.5	0	0	0	0	0	111.1	S841 L842 I843 T1011	S841-G982 PolarHBondContact O-N 3.25Å; L842-G982 WeakPolarHBondContact CA-O 3.14Å; I843-G982 PolarHBondContact N-O 3.4Å; G982-T1011 WeakPolarHBondContact CA-O 3.46Å
983	L	91.4	Very high	72.4	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	130.3	173.1	176.5	65.7	0	0	0	109.2	I843 I845 F1002 L1005 V1009 T1011 V1012 L1013	I843-L983 HydrophobicContact CB-CD1 4.11Å; I843-L983 HydrophobicContact CG2-CD1 3.83Å; I845-L983 HydrophobicContact CD1-CD1 3.97Å; I845-L983 HydrophobicContact CG1-CD1 4.13Å; L983-F1002 HydrophobicContact CD2-CE2 4.41Å; L983-L1005 HydrophobicContact CD1-CD2 4.35Å; L983-L1005 HydrophobicContact CD2-CD2 4.41Å; L983-L1005 HydrophobicContact CD2-CG 4.42Å; L983-V1009 HydrophobicContact CB-CG1 3.83Å; L983-V1009 HydrophobicContact CB-CG2 4.42Å; L983-T1011 PolarHBondContact N-O 3.05Å; L983-V1012 HydrophobicContact CB-CG1 4.48Å; L983-V1012 HydrophobicContact CB-CG2 4.41Å; L983-V1012 HydrophobicContact CD2-CG1 4.24Å; L983-L1013 PolarHBondContact O-N 2.71Å
984	V	92.7	Very high	74.7	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	122	171.8	-173.2	0	0	0	0	108.3	I827 F836 I843 K844 I845 L1013	I827-V984 HydrophobicContact CD1-CG1 4.36Å; I827-V984 HydrophobicContact CD1-CG2 4.33Å; I827-V984 HydrophobicContact CG1-CG2 4.25Å; F836-V984 HydrophobicContact CE2-CG2 4.12Å; F836-V984 HydrophobicContact CZ-CG2 4Å; I843-V984 PolarHBondContact O-N 3.01Å; K844-V984 WeakPolarHBondContact CA-O 3.31Å; K844-V984 HydrophobicContact CG-CB 4.31Å; I845-V984 PolarHBondContact N-O 3.02Å; V984-L1013 VanDerWaalsContact CA-O 3.31Å; V984-L1013 WeakPolarHBondContact CA-O 3.04Å; V984-L1013 HydrophobicContact CG1-CD2 4.21Å; V984-L1013 HydrophobicContact CG1-CG 4.48Å; V984-L1013 HydrophobicContact CG2-CB 4.45Å; V984-L1013 HydrophobicContact CG2-CD2 4.28Å
985	I	92.9	Very high	77.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	142.3	176.6	-170.5	164.6	0	0	0	111.2	I845 L990 A993 F1002 L1013 C1014 C1015	I845-I985 HydrophobicContact CB-CB 4.45Å; I845-I985 HydrophobicContact CB-CD1 4.38Å; I845-I985 HydrophobicContact CB-CG1 4.17Å; I845-I985 HydrophobicContact CG2-CD1 4.21Å; I845-I985 HydrophobicContact CG2-CG1 4.27Å; I845-I985 WeakPolarHBondContact O-CA 3.24Å; I985-L990 HydrophobicContact CD1-CB 4.24Å; I985-L990 HydrophobicContact CD1-CD1 4.02Å; I985-L990 HydrophobicContact CG1-CB 4.29Å; I985-L990 HydrophobicContact CG2-CD1 4.42Å; I985-A993 HydrophobicContact CD1-CB 4.16Å; I985-F1002 HydrophobicContact CD1-CD2 4.43Å; I985-F1002 HydrophobicContact CD1-CE2 3.59Å; I985-F1002 HydrophobicContact CD1-CZ 3.99Å; I985-F1002 HydrophobicContact CG2-CZ 4.47Å; I985-L1013 PolarHBondContact N-O 3.35Å; I985-C1014 HydrophobicContact CG2-CB 4.06Å; I985-C1014 VanDerWaalsContact CG2-SG 3.5Å; I985-C1014 CarbonylContact O-C 3.53Å; I985-C1014 WeakPolarHBondContact O-CA 3.11Å; I985-C1015 PolarHBondContact O-N 3.34Å
986	D	89	Confident	79.5	Confident	3 Å²	3	48 Å²	48	2%	0.016	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	153.2	175.3	72.3	-13	0	0	0	112.9	I845 N847 K988 S989 L990 C1015	I845-D986 PolarHBondContact O-N 3.04Å; N847-D986 PolarHBondContact N-OD1 3.45Å; N847-D986 PolarHBondContact N-OD2 3.09Å; D986-K988 PolarHBondContact O-N 3.37Å; D986-S989 PolarHBondContact O-N 2.95Å; D986-S989 VanDerWaalsContact O-N 3.13Å; D986-S989 WeakPolarHBondContact OD1-CB 3.44Å; D986-S989 PolarHBondContact OD1-N 2.82Å; D986-S989 PolarHBondContact OD1-OG 3.44Å; D986-L990 VanDerWaalsContact O-CB 3.3Å; D986-L990 WeakPolarHBondContact O-CB 3.45Å; D986-L990 PolarHBondContact O-N 3.04Å; D986-C1015 CarbonylContact C-O 3.43Å; D986-C1015 WeakPolarHBondContact CA-O 3.22Å
987	G	82.3	Confident	81.8	Confident	4 Å²	4	47 Å²	47	4%	0.041	25%	0.246	C	C	.	.	H	α-helix	trans	-56.3	-25.8	-178.3	0	0	0	0	0	114.6	Q991 C1015 Q1021	G987-Q991 PolarHBondContact O-N 3.22Å; G987-Q991 VanDerWaalsContact O-N 3.17Å; G987-C1015 PolarHBondContact N-O 3.28Å; G987-Q1021 PolarHBondContact O-NE2 3.2Å
988	K	85.8	Confident	84.3	Confident	134 Å²	134	45.6 Å²	45.6	58%	0.583	23%	0.233	S	C	*	.	H	α-helix	trans	-70.6	-53.1	173.8	-68.9	-170.9	176.6	-172.1	0	111.9	D986 L990 Q991	D986-K988 PolarHBondContact O-N 3.37Å; K988-L990 PolarHBondContact O-N 3.36Å; K988-Q991 PolarHBondContact O-N 3.08Å
989	S	90.4	Very high	86.3	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.9	-34.2	175.9	-49	0	0	0	0	111.1	C848 D986 Q991 Y992 A993	C848-S989 WeakPolarHBondContact CB-OG 3.37Å; C848-S989 PolarHBondContact N-OG 3.3Å; C848-S989 PolarHBondContact SG-OG 3.18Å; D986-S989 PolarHBondContact O-N 2.95Å; D986-S989 VanDerWaalsContact O-N 3.13Å; D986-S989 WeakPolarHBondContact OD1-CB 3.44Å; D986-S989 PolarHBondContact OD1-N 2.82Å; D986-S989 PolarHBondContact OD1-OG 3.44Å; S989-Q991 PolarHBondContact O-N 3.46Å; S989-Y992 PolarHBondContact O-N 3.04Å; S989-A993 PolarHBondContact O-N 2.85Å
990	L	90.8	Very high	87.7	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.7	-36.5	-179.8	-173.9	67.7	0	0	0	113.3	I985 D986 K988 Y992 A993 L994 F1002 M1017 Q1021 I1025	I985-L990 HydrophobicContact CD1-CB 4.24Å; I985-L990 HydrophobicContact CD1-CD1 4.02Å; I985-L990 HydrophobicContact CG1-CB 4.29Å; I985-L990 HydrophobicContact CG2-CD1 4.42Å; D986-L990 VanDerWaalsContact O-CB 3.3Å; D986-L990 WeakPolarHBondContact O-CB 3.45Å; D986-L990 PolarHBondContact O-N 3.04Å; K988-L990 PolarHBondContact O-N 3.36Å; L990-Y992 PolarHBondContact O-N 3.3Å; L990-A993 HydrophobicContact CD1-CB 4.41Å; L990-A993 PolarHBondContact O-N 3.08Å; L990-A993 VanDerWaalsContact O-N 3.12Å; L990-L994 HydrophobicContact CD1-CD1 4.42Å; L990-L994 HydrophobicContact CD1-CG 4.18Å; L990-L994 HydrophobicContact CD2-CD1 4.32Å; L990-L994 HydrophobicContact CG-CD1 3.92Å; L990-L994 HydrophobicContact CG-CG 4.15Å; L990-L994 WeakPolarHBondContact O-CB 3.49Å; L990-L994 WeakPolarHBondContact O-CG 3.14Å; L990-L994 PolarHBondContact O-N 3.38Å; L990-F1002 HydrophobicContact CD1-CE1 3.59Å; L990-F1002 HydrophobicContact CD1-CE2 4.44Å; L990-F1002 HydrophobicContact CD1-CZ 3.51Å; L990-M1017 HydrophobicContact CD2-CG 4.27Å; L990-M1017 HydrophobicContact CD2-SD 3.17Å; L990-M1017 WeakPolarHBondContact CD2-SD 3.25Å; L990-Q1021 HydrophobicContact CD2-CB 4.48Å; L990-I1025 HydrophobicContact CD1-CD1 3.59Å; L990-I1025 HydrophobicContact CD1-CG1 4.49Å; L990-I1025 HydrophobicContact CD2-CD1 3.91Å; L990-I1025 HydrophobicContact CD2-CG1 3.91Å; L990-I1025 HydrophobicContact CG-CD1 4.26Å
991	Q	88.1	Confident	88.5	Confident	130 Å²	130	39.3 Å²	39.3	61%	0.607	20%	0.196	S	C	*	.	H	α-helix	trans	-54.3	-39.5	174.3	-176.9	177.1	-7.7	0	0	111.6	G987 K988 S989	G987-Q991 PolarHBondContact O-N 3.22Å; G987-Q991 VanDerWaalsContact O-N 3.17Å; K988-Q991 PolarHBondContact O-N 3.08Å; S989-Q991 PolarHBondContact O-N 3.46Å
992	Y	91.5	Very high	88.8	Confident	78 Å²	78	38.7 Å²	38.7	31%	0.306	19%	0.193	S	C	.	.	H	α-helix	trans	-78.3	-37.7	174.9	-61.8	-59.7	0	0	0	113.1	L849 L851 S989 L990 L994 H995	L849-Y992 WeakPolarHBondContact O-CE2 3.46Å; L849-Y992 VanDerWaalsContact O-CZ 3.3Å; L849-Y992 PolarHBondContact O-OH 3.01Å; L851-Y992 HydrophobicContact CB-CD1 4.1Å; S989-Y992 PolarHBondContact O-N 3.04Å; L990-Y992 PolarHBondContact O-N 3.3Å; Y992-L994 VanDerWaalsContact C-N 3.27Å; Y992-L994 PolarHBondContact O-N 2.93Å; Y992-H995 WeakPolarHBondContact O-CB 3.48Å; Y992-H995 PolarHBondContact O-N 2.99Å; Y992-H995 VanDerWaalsContact O-N 3.1Å
993	A	90.3	Very high	88.9	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.3	-29.1	178.1	0	0	0	0	0	113.1	T854 I858 I985 S989 L990 H995 R999 F1002	T854-A993 HydrophobicContact CG2-CB 4.07Å; I858-A993 HydrophobicContact CD1-CB 3.99Å; I985-A993 HydrophobicContact CD1-CB 4.16Å; S989-A993 PolarHBondContact O-N 2.85Å; L990-A993 HydrophobicContact CD1-CB 4.41Å; L990-A993 PolarHBondContact O-N 3.08Å; L990-A993 VanDerWaalsContact O-N 3.12Å; A993-H995 VanDerWaalsContact C-N 3.26Å; A993-H995 PolarHBondContact O-N 3.38Å; A993-R999 WeakPolarHBondContact O-CA 3.37Å; A993-R999 PolarHBondContact O-N 2.75Å; A993-F1002 HydrophobicContact CB-CB 4.34Å; A993-F1002 HydrophobicContact CB-CD1 4.17Å; A993-F1002 HydrophobicContact CB-CD2 3.91Å; A993-F1002 HydrophobicContact CB-CE2 4.27Å; A993-F1002 HydrophobicContact CB-CG 3.86Å
994	L	88.8	Confident	88.5	Confident	41 Å²	41	42.2 Å²	42.2	22%	0.215	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-6.7	173.9	-75.3	171.9	0	0	0	114	L990 Y992 I1025 L1028	L990-L994 HydrophobicContact CD1-CD1 4.42Å; L990-L994 HydrophobicContact CD1-CG 4.18Å; L990-L994 HydrophobicContact CD2-CD1 4.32Å; L990-L994 HydrophobicContact CG-CD1 3.92Å; L990-L994 HydrophobicContact CG-CG 4.15Å; L990-L994 WeakPolarHBondContact O-CB 3.49Å; L990-L994 WeakPolarHBondContact O-CG 3.14Å; L990-L994 PolarHBondContact O-N 3.38Å; Y992-L994 VanDerWaalsContact C-N 3.27Å; Y992-L994 PolarHBondContact O-N 2.93Å; L994-I1025 HydrophobicContact CD2-CD1 4.2Å; L994-L1028 HydrophobicContact CD2-CB 4.33Å; L994-L1028 HydrophobicContact CD2-CD2 4.01Å
995	H	88.8	Confident	88.2	Confident	89 Å²	89	42.2 Å²	42.2	41%	0.412	21%	0.21	S	C	.	.	S	Bend	trans	-60.1	147.4	177.7	-168.6	-97	0	0	0	111.5	L851 Y992 A993 S997 L998 R999	L851-H995 HydrophobicContact CD1-CB 3.92Å; Y992-H995 WeakPolarHBondContact O-CB 3.48Å; Y992-H995 PolarHBondContact O-N 2.99Å; Y992-H995 VanDerWaalsContact O-N 3.1Å; A993-H995 VanDerWaalsContact C-N 3.26Å; A993-H995 PolarHBondContact O-N 3.38Å; H995-S997 PolarHBondContact ND1-OG 3.44Å; H995-S997 PolarHBondContact O-N 3.29Å; H995-L998 PolarHBondContact O-N 3.25Å; H995-R999 WeakPolarHBondContact O-CB 3.43Å; H995-R999 PolarHBondContact O-N 3.47Å
996	T	85.5	Confident	87.9	Confident	91 Å²	91	42.3 Å²	42.3	56%	0.558	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.3	-170.1	50.8	0	0	0	0	114.6
997	S	87.4	Confident	87.6	Confident	71 Å²	71	44 Å²	44	50%	0.497	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-30	177.3	52.2	0	0	0	0	114.9	H995	H995-S997 PolarHBondContact ND1-OG 3.44Å; H995-S997 PolarHBondContact O-N 3.29Å
998	L	88.9	Confident	87.4	Confident	6 Å²	6	44.6 Å²	44.6	3%	0.031	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-23.8	-174.5	-69.6	175.6	0	0	0	113.7	L851 A855 Y859 H995 D1000 S1001 F1002	L851-L998 HydrophobicContact CD2-CD1 4.02Å; L851-L998 HydrophobicContact CG-CD1 3.91Å; A855-L998 HydrophobicContact CB-CD1 3.96Å; A855-L998 HydrophobicContact CB-CD2 3.65Å; A855-L998 HydrophobicContact CB-CG 4.44Å; Y859-L998 HydrophobicContact CE2-CD2 4.04Å; H995-L998 PolarHBondContact O-N 3.25Å; L998-D1000 PolarHBondContact O-N 3.11Å; L998-D1000 VanDerWaalsContact O-N 3.07Å; L998-S1001 PolarHBondContact O-N 3.29Å; L998-S1001 VanDerWaalsContact O-N 3.11Å; L998-F1002 PolarHBondContact O-N 3.02Å
999	R	88.6	Confident	87.1	Confident	84 Å²	84	38.2 Å²	38.2	32%	0.317	20%	0.195	S	C	.	.	H	α-helix	trans	-51.5	-37	-172	74.3	-179	179	-157.2	-14.2	114.7	A993 H995 L1003 L1028	A993-R999 WeakPolarHBondContact O-CA 3.37Å; A993-R999 PolarHBondContact O-N 2.75Å; H995-R999 WeakPolarHBondContact O-CB 3.43Å; H995-R999 PolarHBondContact O-N 3.47Å; R999-L1003 WeakPolarHBondContact O-CB 3.37Å; R999-L1003 PolarHBondContact O-N 3.42Å; R999-L1028 HydrophobicContact CB-CD1 3.79Å; R999-L1028 HydrophobicContact CG-CD1 4.3Å
1000	D	86.9	Confident	86.6	Confident	57 Å²	57	39.6 Å²	39.6	31%	0.305	20%	0.203	S	C	.	.	H	α-helix	trans	-79.5	-36.3	-173.1	-64.7	-50.1	0	0	0	109.4	L998 E1004 K1035	L998-D1000 PolarHBondContact O-N 3.11Å; L998-D1000 VanDerWaalsContact O-N 3.07Å; D1000-E1004 PolarHBondContact O-N 3.39Å; D1000-E1004 VanDerWaalsContact O-N 3.08Å; D1000-K1035 IonicContact OD1-NZ 3.3Å; D1000-K1035 PolarHBondContact OD1-NZ 3.12Å; D1000-K1035 IonicContact OD2-NZ 2.79Å
1001	S	87.2	Confident	86.4	Confident	24 Å²	24	40 Å²	40	17%	0.168	21%	0.206	C	C	.	.	H	α-helix	trans	-70.8	-38.3	169.3	-58.4	0	0	0	0	112.8	L998 L1003 E1004 L1005	L998-S1001 PolarHBondContact O-N 3.29Å; L998-S1001 VanDerWaalsContact O-N 3.11Å; S1001-L1003 VanDerWaalsContact C-N 3.33Å; S1001-L1003 PolarHBondContact O-N 3.26Å; S1001-E1004 PolarHBondContact O-N 3.45Å; S1001-L1005 PolarHBondContact O-N 3.39Å
1002	F	90.8	Very high	86.6	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.1	-42.6	173	175	-117.8	0	0	0	111.3	I858 L983 I985 L990 A993 L998 L1005 C1006 I1025 L1028	I858-F1002 HydrophobicContact CD1-CB 4.17Å; I858-F1002 HydrophobicContact CD1-CD2 4.14Å; L983-F1002 HydrophobicContact CD2-CE2 4.41Å; I985-F1002 HydrophobicContact CD1-CD2 4.43Å; I985-F1002 HydrophobicContact CD1-CE2 3.59Å; I985-F1002 HydrophobicContact CD1-CZ 3.99Å; I985-F1002 HydrophobicContact CG2-CZ 4.47Å; L990-F1002 HydrophobicContact CD1-CE1 3.59Å; L990-F1002 HydrophobicContact CD1-CE2 4.44Å; L990-F1002 HydrophobicContact CD1-CZ 3.51Å; A993-F1002 HydrophobicContact CB-CB 4.34Å; A993-F1002 HydrophobicContact CB-CD1 4.17Å; A993-F1002 HydrophobicContact CB-CD2 3.91Å; A993-F1002 HydrophobicContact CB-CE2 4.27Å; A993-F1002 HydrophobicContact CB-CG 3.86Å; L998-F1002 PolarHBondContact O-N 3.02Å; F1002-L1005 WeakPolarHBondContact O-CB 3.5Å; F1002-L1005 PolarHBondContact O-N 3.15Å; F1002-C1006 VanDerWaalsContact CZ-SG 3.56Å; F1002-C1006 PolarHBondContact O-N 2.93Å; F1002-C1006 PolarHBondContact O-SG 3.21Å; F1002-C1006 VanDerWaalsContact O-SG 3.34Å; F1002-I1025 HydrophobicContact CE1-CD1 3.94Å; F1002-I1025 HydrophobicContact CZ-CD1 4.49Å; F1002-L1028 HydrophobicContact CD1-CD2 3.67Å; F1002-L1028 HydrophobicContact CE1-CD2 3.92Å
1003	L	88.2	Confident	86.7	Confident	4 Å²	4	30.1 Å²	30.1	2%	0.021	16%	0.162	C	C	.	.	H	α-helix	trans	-63.1	-40.8	173.8	-178.2	62.5	0	0	0	112	R999 S1001 L1005 C1006 M1007 V1029 L1033	R999-L1003 WeakPolarHBondContact O-CB 3.37Å; R999-L1003 PolarHBondContact O-N 3.42Å; S1001-L1003 VanDerWaalsContact C-N 3.33Å; S1001-L1003 PolarHBondContact O-N 3.26Å; L1003-L1005 VanDerWaalsContact C-N 3.3Å; L1003-L1005 PolarHBondContact O-N 2.89Å; L1003-C1006 PolarHBondContact O-N 3.09Å; L1003-M1007 HydrophobicContact CD1-CG 4.05Å; L1003-M1007 HydrophobicContact CG-CG 4.28Å; L1003-M1007 WeakPolarHBondContact O-CB 3.37Å; L1003-M1007 WeakPolarHBondContact O-CG 3.43Å; L1003-M1007 PolarHBondContact O-N 3.45Å; L1003-V1029 HydrophobicContact CD1-CG2 3.98Å; L1003-L1033 HydrophobicContact CD2-CD2 4.45Å; L1003-L1033 HydrophobicContact CD2-CG 4.49Å
1004	E	83.8	Confident	86.8	Confident	71 Å²	71	30.1 Å²	30.1	33%	0.332	16%	0.162	S	C	.	.	H	α-helix	trans	-58.7	-42	173.5	-173.6	176.5	177.2	0	0	111.8	L862 D1000 S1001 M1007 S1008	L862-E1004 HydrophobicContact CD2-CB 4.27Å; L862-E1004 HydrophobicContact CD2-CG 4.01Å; D1000-E1004 PolarHBondContact O-N 3.39Å; D1000-E1004 VanDerWaalsContact O-N 3.08Å; S1001-E1004 PolarHBondContact O-N 3.45Å; E1004-M1007 PolarHBondContact O-N 2.88Å; E1004-S1008 WeakPolarHBondContact O-CB 3.41Å; E1004-S1008 PolarHBondContact O-N 2.86Å; E1004-S1008 VanDerWaalsContact O-N 3.1Å; E1004-S1008 PolarHBondContact O-OG 2.76Å
1005	L	85.8	Confident	86.7	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.7	-54.2	176.3	-177.9	64.6	0	0	0	110.5	I845 I858 Q861 L862 L865 L983 S1001 F1002 L1003 M1007 S1008 V1009	I845-L1005 HydrophobicContact CD1-CD2 3.79Å; I858-L1005 HydrophobicContact CG1-CD2 4.35Å; I858-L1005 HydrophobicContact CG2-CD2 4.42Å; Q861-L1005 HydrophobicContact CB-CD1 3.98Å; L862-L1005 HydrophobicContact CD2-CB 3.93Å; L862-L1005 HydrophobicContact CD2-CD1 4.16Å; L862-L1005 HydrophobicContact CG-CB 4.2Å; L862-L1005 HydrophobicContact CG-CD1 4.26Å; L865-L1005 HydrophobicContact CD1-CD1 3.72Å; L983-L1005 HydrophobicContact CD1-CD2 4.35Å; L983-L1005 HydrophobicContact CD2-CD2 4.41Å; L983-L1005 HydrophobicContact CD2-CG 4.42Å; S1001-L1005 PolarHBondContact O-N 3.39Å; F1002-L1005 WeakPolarHBondContact O-CB 3.5Å; F1002-L1005 PolarHBondContact O-N 3.15Å; L1003-L1005 VanDerWaalsContact C-N 3.3Å; L1003-L1005 PolarHBondContact O-N 2.89Å; L1005-M1007 VanDerWaalsContact C-N 3.27Å; L1005-M1007 PolarHBondContact O-N 3.42Å; L1005-S1008 PolarHBondContact O-N 2.87Å; L1005-S1008 PolarHBondContact O-OG 3.27Å; L1005-V1009 WeakPolarHBondContact O-CG2 3.26Å
1006	C	87.4	Confident	86.3	Confident	2 Å²	2	29.1 Å²	29.1	1%	0.014	15%	0.152	C	C	.	.	H	α-helix	trans	-57	-38.3	177.7	-63.9	0	0	0	0	113.1	W816 F1002 L1003 S1008 V1012	W816-C1006 HydrophobicContact CH2-CB 3.35Å; W816-C1006 HydrophobicContact CZ2-CB 3.71Å; W816-C1006 HydrophobicContact CZ3-CB 4.12Å; F1002-C1006 VanDerWaalsContact CZ-SG 3.56Å; F1002-C1006 PolarHBondContact O-N 2.93Å; F1002-C1006 PolarHBondContact O-SG 3.21Å; F1002-C1006 VanDerWaalsContact O-SG 3.34Å; L1003-C1006 PolarHBondContact O-N 3.09Å; C1006-S1008 VanDerWaalsContact C-N 3.27Å; C1006-S1008 PolarHBondContact O-N 3.22Å; C1006-V1012 HydrophobicContact CB-CG2 4.17Å
1007	M	82.8	Confident	86.1	Confident	37 Å²	37	25.2 Å²	25.2	18%	0.182	13%	0.127	C	C	.	.	H	α-helix	trans	-74.6	-13.7	178.9	-71.9	-57.3	-54.4	0	0	114.1	F455 L1003 E1004 L1005 L1033	F455-M1007 HydrophobicContact CE1-SD 3.91Å; F455-M1007 HydrophobicContact CZ-CE 3.92Å; F455-M1007 HydrophobicContact CZ-SD 3.67Å; L1003-M1007 HydrophobicContact CD1-CG 4.05Å; L1003-M1007 HydrophobicContact CG-CG 4.28Å; L1003-M1007 WeakPolarHBondContact O-CB 3.37Å; L1003-M1007 WeakPolarHBondContact O-CG 3.43Å; L1003-M1007 PolarHBondContact O-N 3.45Å; E1004-M1007 PolarHBondContact O-N 2.88Å; L1005-M1007 VanDerWaalsContact C-N 3.27Å; L1005-M1007 PolarHBondContact O-N 3.42Å; M1007-L1033 HydrophobicContact CE-CD1 4.48Å; M1007-L1033 HydrophobicContact CE-CD2 4.28Å; M1007-L1033 HydrophobicContact CG-CD2 4.13Å; M1007-L1033 HydrophobicContact SD-CD1 4.07Å; M1007-L1033 HydrophobicContact SD-CD2 4.08Å
1008	S	76.8	Confident	85.7	Confident	17 Å²	17	25.2 Å²	25.2	12%	0.119	12%	0.124	C	C	.	.	H	α-helix	trans	-93.3	-8.2	178.4	74.4	0	0	0	0	114.5	L865 E1004 L1005 C1006	L865-S1008 WeakPolarHBondContact CD1-OG 3.39Å; E1004-S1008 WeakPolarHBondContact O-CB 3.41Å; E1004-S1008 PolarHBondContact O-N 2.86Å; E1004-S1008 VanDerWaalsContact O-N 3.1Å; E1004-S1008 PolarHBondContact O-OG 2.76Å; L1005-S1008 PolarHBondContact O-N 2.87Å; L1005-S1008 PolarHBondContact O-OG 3.27Å; C1006-S1008 VanDerWaalsContact C-N 3.27Å; C1006-S1008 PolarHBondContact O-N 3.22Å
1009	V	80.7	Confident	85	Confident	1 Å²	1	27 Å²	27	1%	0.006	14%	0.137	C	C	.	.	S	Bend	trans	-105.5	152.6	-174.7	171.1	0	0	0	0	109.2	I843 L865 P974 I981 L983 L1005 T1011	I843-V1009 HydrophobicContact CD1-CG2 4.45Å; L865-V1009 HydrophobicContact CD1-CG2 4.38Å; P974-V1009 CarbonylContact O-C 3.54Å; I981-V1009 HydrophobicContact CG2-CG1 4.37Å; I981-V1009 HydrophobicContact CG2-CG2 4.3Å; I981-V1009 WeakPolarHBondContact O-CG1 3.45Å; L983-V1009 HydrophobicContact CB-CG1 3.83Å; L983-V1009 HydrophobicContact CB-CG2 4.42Å; L1005-V1009 WeakPolarHBondContact O-CG2 3.26Å; V1009-T1011 WeakPolarHBondContact CG1-O 3.4Å
1010	T	79.7	Confident	84.7	Confident	29 Å²	29	29.1 Å²	29.1	18%	0.178	15%	0.154	C	C	.	.	S	Bend	trans	-73.8	-38.9	-179.3	51.5	0	0	0	0	113.8	M840 P974 I981	M840-T1010 WeakPolarHBondContact CE-OG1 3.47Å; P974-T1010 HydrophobicContact CG-CG2 4.45Å; P974-T1010 WeakPolarHBondContact O-CA 3.33Å; P974-T1010 WeakPolarHBondContact O-CG2 3.25Å; P974-T1010 PolarHBondContact O-N 3.34Å; I981-T1010 PolarHBondContact N-OG1 2.9Å; I981-T1010 VanDerWaalsContact N-OG1 3.17Å; I981-T1010 PolarHBondContact O-N 3.07Å; I981-T1010 PolarHBondContact O-OG1 3.11Å
1011	T	86.9	Confident	84.6	Confident	8 Å²	8	27.6 Å²	27.6	5%	0.049	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	152.4	-178.8	60.3	0	0	0	0	112	H835 F836 M840 I981 G982 L983 V1009	H835-T1011 VanDerWaalsContact NE2-CB 3.34Å; H835-T1011 WeakPolarHBondContact NE2-CB 3.27Å; F836-T1011 WeakPolarHBondContact CE1-OG1 3.29Å; M840-T1011 HydrophobicContact CE-CG2 4.38Å; M840-T1011 WeakPolarHBondContact CE-OG1 3.45Å; I981-T1011 PolarHBondContact O-N 2.95Å; G982-T1011 WeakPolarHBondContact CA-O 3.46Å; L983-T1011 PolarHBondContact N-O 3.05Å; V1009-T1011 WeakPolarHBondContact CG1-O 3.4Å
1012	V	91.6	Very high	84.6	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.5	-175.6	-176.1	0	0	0	0	109.7	W816 I817 L983 C1006	W816-V1012 CarbonylContact C-O 3.48Å; W816-V1012 WeakPolarHBondContact CA-O 3.4Å; W816-V1012 HydrophobicContact CB-CB 4.4Å; W816-V1012 HydrophobicContact CD2-CB 3.66Å; W816-V1012 HydrophobicContact CD2-CG1 4.2Å; W816-V1012 HydrophobicContact CD2-CG2 3.88Å; W816-V1012 HydrophobicContact CE3-CB 3.92Å; W816-V1012 HydrophobicContact CE3-CG1 3.92Å; W816-V1012 HydrophobicContact CE3-CG2 4.26Å; W816-V1012 HydrophobicContact CG-CB 3.83Å; W816-V1012 HydrophobicContact CG-CG2 4.32Å; W816-V1012 HydrophobicContact CZ2-CG2 4.1Å; W816-V1012 HydrophobicContact CZ3-CG1 4.4Å; I817-V1012 PolarHBondContact N-O 2.72Å; L983-V1012 HydrophobicContact CB-CG1 4.48Å; L983-V1012 HydrophobicContact CB-CG2 4.41Å; L983-V1012 HydrophobicContact CD2-CG1 4.24Å; C1006-V1012 HydrophobicContact CB-CG2 4.17Å
1013	L	93.5	Very high	84.4	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	125.5	172.7	173.5	63.1	0	0	0	109	I817 T819 A826 I827 F836 L983 V984 I985 C1015	I817-L1013 HydrophobicContact CB-CD1 3.81Å; I817-L1013 HydrophobicContact CG2-CD1 3.65Å; I817-L1013 WeakPolarHBondContact O-CA 3.49Å; T819-L1013 HydrophobicContact CG2-CD1 4.41Å; A826-L1013 HydrophobicContact CB-CD1 4.07Å; A826-L1013 HydrophobicContact CB-CD2 3.91Å; A826-L1013 HydrophobicContact CB-CG 4.44Å; I827-L1013 HydrophobicContact CG1-CD2 3.93Å; F836-L1013 HydrophobicContact CE2-CB 4.26Å; F836-L1013 HydrophobicContact CE2-CD2 3.76Å; F836-L1013 HydrophobicContact CZ-CB 3.65Å; F836-L1013 HydrophobicContact CZ-CD2 4.04Å; F836-L1013 HydrophobicContact CZ-CG 4.49Å; L983-L1013 PolarHBondContact O-N 2.71Å; V984-L1013 VanDerWaalsContact CA-O 3.31Å; V984-L1013 WeakPolarHBondContact CA-O 3.04Å; V984-L1013 HydrophobicContact CG1-CD2 4.21Å; V984-L1013 HydrophobicContact CG1-CG 4.48Å; V984-L1013 HydrophobicContact CG2-CB 4.45Å; V984-L1013 HydrophobicContact CG2-CD2 4.28Å; I985-L1013 PolarHBondContact N-O 3.35Å; L1013-C1015 VanDerWaalsContact CG-SG 3.58Å
1014	C	92	Very high	84.5	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127	172.3	-53.5	0	0	0	0	109.6	I817 L818 T819 I985 M1017	I817-C1014 PolarHBondContact O-N 3.23Å; L818-C1014 HydrophobicContact CD2-CB 3.72Å; T819-C1014 PolarHBondContact N-O 2.71Å; I985-C1014 HydrophobicContact CG2-CB 4.06Å; I985-C1014 VanDerWaalsContact CG2-SG 3.5Å; I985-C1014 CarbonylContact O-C 3.53Å; I985-C1014 WeakPolarHBondContact O-CA 3.11Å; C1014-M1017 HydrophobicContact CB-CE 3.93Å; C1014-M1017 HydrophobicContact CB-CG 3.86Å; C1014-M1017 HydrophobicContact CB-SD 3.3Å; C1014-M1017 WeakPolarHBondContact CB-SD 3.4Å
1015	C	87.1	Confident	84.9	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	157.3	-172.3	-52.4	0	0	0	0	111.5	T819 A823 I985 D986 G987 L1013 M1017	T819-C1015 CarbonylContact O-C 3.54Å; T819-C1015 WeakPolarHBondContact O-CA 3.43Å; A823-C1015 HydrophobicContact CB-CB 3.97Å; I985-C1015 PolarHBondContact O-N 3.34Å; D986-C1015 CarbonylContact C-O 3.43Å; D986-C1015 WeakPolarHBondContact CA-O 3.22Å; G987-C1015 PolarHBondContact N-O 3.28Å; L1013-C1015 VanDerWaalsContact CG-SG 3.58Å; C1015-M1017 PolarHBondContact O-N 3.2Å
1016	R	81.4	Confident	85.2	Confident	109 Å²	109	25.6 Å²	25.6	41%	0.411	14%	0.139	S	C	.	.	S	Bend	trans	50.1	39.1	-178.2	-60	-172.2	-177.9	144.4	8.1	113.6	T819 G820 D821 E824	T819-R1016 PolarHBondContact O-N 2.91Å; T819-R1016 VanDerWaalsContact O-N 3.08Å; G820-R1016 WeakPolarHBondContact O-CA 3.45Å; D821-R1016 WeakPolarHBondContact O-CG 3.3Å; D821-R1016 PolarHBondContact O-N 2.9Å; E824-R1016 IonicContact OE2-NH2 3.64Å
1017	M	80.3	Confident	85.3	Confident	9 Å²	9	30.4 Å²	30.4	4%	0.044	16%	0.159	C	C	.	.			trans	-86.8	142.5	179.5	-60.7	-142.9	-51.8	0	0	112.4	L818 T819 L990 C1014 C1015 Q1021 K1022 I1025	L818-M1017 HydrophobicContact CB-CE 3.62Å; L818-M1017 HydrophobicContact CD1-CE 3.96Å; L818-M1017 HydrophobicContact CD2-CE 3.73Å; L818-M1017 HydrophobicContact CG-CE 3.96Å; T819-M1017 PolarHBondContact O-N 3.25Å; L990-M1017 HydrophobicContact CD2-CG 4.27Å; L990-M1017 HydrophobicContact CD2-SD 3.17Å; L990-M1017 WeakPolarHBondContact CD2-SD 3.25Å; C1014-M1017 HydrophobicContact CB-CE 3.93Å; C1014-M1017 HydrophobicContact CB-CG 3.86Å; C1014-M1017 HydrophobicContact CB-SD 3.3Å; C1014-M1017 WeakPolarHBondContact CB-SD 3.4Å; C1015-M1017 PolarHBondContact O-N 3.2Å; M1017-Q1021 HydrophobicContact CB-CB 4.28Å; M1017-Q1021 HydrophobicContact SD-CB 4.39Å; M1017-K1022 HydrophobicContact CB-CG 4.3Å; M1017-K1022 HydrophobicContact CE-CB 4.06Å; M1017-K1022 HydrophobicContact CE-CG 3.57Å; M1017-I1025 HydrophobicContact CE-CG1 4.39Å; M1017-I1025 HydrophobicContact SD-CG1 4.28Å
1018	T	79	Confident	85.6	Confident	71 Å²	71	29.4 Å²	29.4	44%	0.436	16%	0.155	S	C	.	.			trans	-78.3	157.8	166.8	65.9	0	0	0	0	111.3	L1020 Q1021 K1022	T1018-L1020 PolarHBondContact O-N 3.32Å; T1018-Q1021 WeakPolarHBondContact O-CA 3.36Å; T1018-Q1021 WeakPolarHBondContact O-CB 3.34Å; T1018-Q1021 PolarHBondContact O-N 3.07Å; T1018-Q1021 VanDerWaalsContact OG1-CG 3.31Å; T1018-Q1021 WeakPolarHBondContact OG1-CG 3.4Å; T1018-Q1021 PolarHBondContact OG1-N 3.23Å; T1018-K1022 PolarHBondContact O-N 3.4Å
1019	P	75.8	Confident	86.2	Confident	45 Å²	45	28.6 Å²	28.6	29%	0.292	15%	0.149	S	C	.	.	H	α-helix	trans	-52.2	-40.2	176	-31.4	38	0	0	0	113.8	Q1021 K1022 A1023 N1053 A1056	P1019-Q1021 PolarHBondContact O-N 2.94Å; P1019-K1022 WeakPolarHBondContact O-CB 3.37Å; P1019-K1022 PolarHBondContact O-N 2.76Å; P1019-A1023 PolarHBondContact O-N 3.49Å; P1019-A1023 VanDerWaalsContact O-N 3.12Å; P1019-N1053 WeakPolarHBondContact CB-O 3.13Å; P1019-N1053 HydrophobicContact CG-CB 4.24Å; P1019-N1053 WeakPolarHBondContact CG-OD1 3.35Å; P1019-A1056 HydrophobicContact CB-CB 4.41Å
1020	L	81	Confident	86.3	Confident	128 Å²	128	30.1 Å²	30.1	67%	0.67	16%	0.156	S	C	*	.	H	α-helix	trans	-68.9	-31.7	177	-172.6	63.5	0	0	0	112.6	T1018 S1024	T1018-L1020 PolarHBondContact O-N 3.32Å; L1020-S1024 WeakPolarHBondContact O-CB 3.48Å; L1020-S1024 PolarHBondContact O-N 3.14Å; L1020-S1024 PolarHBondContact O-OG 3.03Å
1021	Q	85.8	Confident	86.5	Confident	25 Å²	25	32.6 Å²	32.6	12%	0.117	17%	0.167	C	C	.	.	H	α-helix	trans	-70	-39.3	172.3	-74.1	173.2	-25	0	0	111.7	G987 L990 M1017 T1018 P1019 A1023 S1024 I1025	G987-Q1021 PolarHBondContact O-NE2 3.2Å; L990-Q1021 HydrophobicContact CD2-CB 4.48Å; M1017-Q1021 HydrophobicContact CB-CB 4.28Å; M1017-Q1021 HydrophobicContact SD-CB 4.39Å; T1018-Q1021 WeakPolarHBondContact O-CA 3.36Å; T1018-Q1021 WeakPolarHBondContact O-CB 3.34Å; T1018-Q1021 PolarHBondContact O-N 3.07Å; T1018-Q1021 VanDerWaalsContact OG1-CG 3.31Å; T1018-Q1021 WeakPolarHBondContact OG1-CG 3.4Å; T1018-Q1021 PolarHBondContact OG1-N 3.23Å; P1019-Q1021 PolarHBondContact O-N 2.94Å; Q1021-A1023 PolarHBondContact O-N 2.85Å; Q1021-S1024 PolarHBondContact O-N 2.93Å; Q1021-S1024 VanDerWaalsContact O-N 3.15Å; Q1021-I1025 PolarHBondContact O-N 3.46Å
1022	K	86.5	Confident	86	Confident	6 Å²	6	32.3 Å²	32.3	3%	0.026	17%	0.166	C	C	.	.	H	α-helix	trans	-55	-52	171.6	-62.3	-175.1	-174.4	-168.3	0	110.8	D459 L818 M1017 T1018 P1019 S1024 I1025 V1026 D1054 M1057	D459-K1022 IonicContact OD1-NZ 3.48Å; D459-K1022 PolarHBondContact OD1-NZ 3.49Å; L818-K1022 HydrophobicContact CB-CG 4.4Å; L818-K1022 VanDerWaalsContact O-CE 3.22Å; L818-K1022 WeakPolarHBondContact O-CE 3.4Å; L818-K1022 PolarHBondContact O-NZ 3.29Å; M1017-K1022 HydrophobicContact CB-CG 4.3Å; M1017-K1022 HydrophobicContact CE-CB 4.06Å; M1017-K1022 HydrophobicContact CE-CG 3.57Å; T1018-K1022 PolarHBondContact O-N 3.4Å; P1019-K1022 WeakPolarHBondContact O-CB 3.37Å; P1019-K1022 PolarHBondContact O-N 2.76Å; K1022-S1024 VanDerWaalsContact C-N 3.32Å; K1022-S1024 PolarHBondContact O-N 3.15Å; K1022-I1025 PolarHBondContact O-N 2.94Å; K1022-V1026 PolarHBondContact O-N 3.43Å; K1022-D1054 VanDerWaalsContact CD-OD1 3.31Å; K1022-D1054 WeakPolarHBondContact CD-OD1 3.48Å; K1022-D1054 IonicContact NZ-OD1 3.91Å; K1022-D1054 PolarHBondContact NZ-OD1 3.02Å; K1022-D1054 IonicContact NZ-OD2 3.7Å; K1022-M1057 HydrophobicContact CB-CB 3.95Å; K1022-M1057 HydrophobicContact CB-CG 4.14Å; K1022-M1057 HydrophobicContact CB-SD 4.09Å; K1022-M1057 HydrophobicContact CD-SD 4.32Å
1023	A	87.2	Confident	85.3	Confident	8 Å²	8	33.6 Å²	33.6	7%	0.066	17%	0.173	C	C	.	.	H	α-helix	trans	-59.8	-39.1	175.6	0	0	0	0	0	113	P1019 Q1021 I1025 V1026 K1027 A1056 Q1060	P1019-A1023 PolarHBondContact O-N 3.49Å; P1019-A1023 VanDerWaalsContact O-N 3.12Å; Q1021-A1023 PolarHBondContact O-N 2.85Å; A1023-I1025 PolarHBondContact O-N 2.92Å; A1023-V1026 PolarHBondContact O-N 3.4Å; A1023-K1027 WeakPolarHBondContact O-CB 3.45Å; A1023-K1027 PolarHBondContact O-N 3.15Å; A1023-A1056 HydrophobicContact CB-CB 4.1Å; A1023-A1056 VanDerWaalsContact CB-O 3.3Å; A1023-A1056 WeakPolarHBondContact CB-O 3.46Å; A1023-Q1060 HydrophobicContact CB-CB 4.2Å; A1023-Q1060 HydrophobicContact CB-CG 4.35Å; A1023-Q1060 WeakPolarHBondContact O-CG 3.31Å
1024	S	90	Very high	84.2	Confident	43 Å²	43	34.7 Å²	34.7	30%	0.301	18%	0.182	S	C	.	.	H	α-helix	trans	-66	-34.4	179	-62.1	0	0	0	0	113.1	L1020 Q1021 K1022 L1028	L1020-S1024 WeakPolarHBondContact O-CB 3.48Å; L1020-S1024 PolarHBondContact O-N 3.14Å; L1020-S1024 PolarHBondContact O-OG 3.03Å; Q1021-S1024 PolarHBondContact O-N 2.93Å; Q1021-S1024 VanDerWaalsContact O-N 3.15Å; K1022-S1024 VanDerWaalsContact C-N 3.32Å; K1022-S1024 PolarHBondContact O-N 3.15Å; S1024-L1028 WeakPolarHBondContact O-CB 3.24Å; S1024-L1028 PolarHBondContact O-N 3.34Å
1025	I	92.4	Very high	83	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.6	-47.4	172.9	-72.3	-65.1	0	0	0	111.3	F457 W816 L818 L990 L994 F1002 M1017 Q1021 K1022 A1023 K1027 L1028 V1029	F457-I1025 HydrophobicContact CD1-CG2 4.24Å; F457-I1025 HydrophobicContact CE1-CG2 3.59Å; F457-I1025 HydrophobicContact CZ-CG2 4.25Å; W816-I1025 HydrophobicContact CE3-CG2 4.14Å; W816-I1025 HydrophobicContact CZ3-CG2 4.11Å; L818-I1025 HydrophobicContact CD1-CB 4.21Å; L818-I1025 HydrophobicContact CD1-CG2 3.88Å; L818-I1025 HydrophobicContact CD2-CG2 4.08Å; L990-I1025 HydrophobicContact CD1-CD1 3.59Å; L990-I1025 HydrophobicContact CD1-CG1 4.49Å; L990-I1025 HydrophobicContact CD2-CD1 3.91Å; L990-I1025 HydrophobicContact CD2-CG1 3.91Å; L990-I1025 HydrophobicContact CG-CD1 4.26Å; L994-I1025 HydrophobicContact CD2-CD1 4.2Å; F1002-I1025 HydrophobicContact CE1-CD1 3.94Å; F1002-I1025 HydrophobicContact CZ-CD1 4.49Å; M1017-I1025 HydrophobicContact CE-CG1 4.39Å; M1017-I1025 HydrophobicContact SD-CG1 4.28Å; Q1021-I1025 PolarHBondContact O-N 3.46Å; K1022-I1025 PolarHBondContact O-N 2.94Å; A1023-I1025 PolarHBondContact O-N 2.92Å; I1025-K1027 VanDerWaalsContact C-N 3.28Å; I1025-K1027 PolarHBondContact O-N 3.33Å; I1025-L1028 WeakPolarHBondContact O-CB 3.45Å; I1025-L1028 PolarHBondContact O-N 3.46Å; I1025-L1028 VanDerWaalsContact O-N 3.17Å; I1025-V1029 PolarHBondContact O-N 2.78Å
1026	V	91	Very high	81.5	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-54.9	-48.3	175	172.2	0	0	0	0	110.2	F457 K1022 A1023 L1028 V1029 Q1030 I1045 M1057 Q1060 A1061	F457-V1026 HydrophobicContact CB-CG2 4.44Å; F457-V1026 HydrophobicContact CD2-CG2 3.83Å; F457-V1026 HydrophobicContact CE2-CG2 4.2Å; F457-V1026 HydrophobicContact CG-CG2 4.01Å; K1022-V1026 PolarHBondContact O-N 3.43Å; A1023-V1026 PolarHBondContact O-N 3.4Å; V1026-L1028 PolarHBondContact O-N 3.03Å; V1026-V1029 PolarHBondContact O-N 3.07Å; V1026-Q1030 WeakPolarHBondContact O-CB 3.21Å; V1026-Q1030 PolarHBondContact O-N 2.85Å; V1026-I1045 HydrophobicContact CG1-CG2 4.08Å; V1026-M1057 HydrophobicContact CG2-CG 3.63Å; V1026-Q1060 HydrophobicContact CB-CG 4.25Å; V1026-Q1060 HydrophobicContact CG1-CB 4.31Å; V1026-Q1060 HydrophobicContact CG1-CG 4.02Å; V1026-A1061 HydrophobicContact CG1-CB 4.07Å
1027	K	89.9	Confident	80.3	Confident	102 Å²	102	38.8 Å²	38.8	44%	0.443	21%	0.208	S	C	.	.	H	α-helix	trans	-64.7	-37.3	178.2	-170.7	174.4	-174.1	171	0	113.3	A1023 I1025 I1031 Q1060	A1023-K1027 WeakPolarHBondContact O-CB 3.45Å; A1023-K1027 PolarHBondContact O-N 3.15Å; I1025-K1027 VanDerWaalsContact C-N 3.28Å; I1025-K1027 PolarHBondContact O-N 3.33Å; K1027-I1031 HydrophobicContact CD-CD1 4.44Å; K1027-I1031 HydrophobicContact CG-CD1 3.69Å; K1027-I1031 HydrophobicContact CG-CG1 4.36Å; K1027-I1031 WeakPolarHBondContact O-CB 3.46Å; K1027-I1031 WeakPolarHBondContact O-CG1 3.4Å; K1027-I1031 PolarHBondContact O-N 3.16Å; K1027-Q1060 HydrophobicContact CB-CG 4.07Å
1028	L	89.9	Confident	78.8	Confident	17 Å²	17	44.7 Å²	44.7	9%	0.089	23%	0.23	C	C	.	.	H	α-helix	trans	-59.7	-51.8	174.9	174.9	68.1	0	0	0	110.7	L994 R999 F1002 S1024 I1025 V1026 G1032	L994-L1028 HydrophobicContact CD2-CB 4.33Å; L994-L1028 HydrophobicContact CD2-CD2 4.01Å; R999-L1028 HydrophobicContact CB-CD1 3.79Å; R999-L1028 HydrophobicContact CG-CD1 4.3Å; F1002-L1028 HydrophobicContact CD1-CD2 3.67Å; F1002-L1028 HydrophobicContact CE1-CD2 3.92Å; S1024-L1028 WeakPolarHBondContact O-CB 3.24Å; S1024-L1028 PolarHBondContact O-N 3.34Å; I1025-L1028 WeakPolarHBondContact O-CB 3.45Å; I1025-L1028 PolarHBondContact O-N 3.46Å; I1025-L1028 VanDerWaalsContact O-N 3.17Å; V1026-L1028 PolarHBondContact O-N 3.03Å; L1028-G1032 WeakPolarHBondContact O-CA 3.36Å; L1028-G1032 PolarHBondContact O-N 3.22Å
1029	V	87.9	Confident	77.4	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65.9	-40.5	-178.7	176.8	0	0	0	0	110.7	F455 F457 W816 L1003 I1025 V1026 L1033 I1045	F455-V1029 HydrophobicContact CD1-CG1 4.19Å; F455-V1029 HydrophobicContact CD2-CG1 4.12Å; F455-V1029 HydrophobicContact CE1-CG1 4.2Å; F455-V1029 HydrophobicContact CE2-CG1 4.13Å; F455-V1029 HydrophobicContact CG-CG1 4.15Å; F455-V1029 HydrophobicContact CZ-CG1 4.18Å; F457-V1029 HydrophobicContact CZ-CB 4.07Å; F457-V1029 HydrophobicContact CZ-CG1 4.33Å; F457-V1029 HydrophobicContact CZ-CG2 3.9Å; W816-V1029 HydrophobicContact CH2-CG2 3.53Å; W816-V1029 HydrophobicContact CZ2-CG2 4.28Å; W816-V1029 HydrophobicContact CZ3-CG2 3.77Å; L1003-V1029 HydrophobicContact CD1-CG2 3.98Å; I1025-V1029 PolarHBondContact O-N 2.78Å; V1026-V1029 PolarHBondContact O-N 3.07Å; V1029-L1033 HydrophobicContact CG1-CD1 3.66Å; V1029-L1033 HydrophobicContact CG1-CG 4.39Å; V1029-L1033 WeakPolarHBondContact O-CB 3.33Å; V1029-L1033 WeakPolarHBondContact O-CG 3.48Å; V1029-L1033 PolarHBondContact O-N 3.07Å; V1029-I1045 HydrophobicContact CB-CD1 4.23Å; V1029-I1045 HydrophobicContact CG1-CD1 4.01Å
1030	Q	84	Confident	76.3	Confident	32 Å²	32	50.2 Å²	50.2	15%	0.15	26%	0.261	C	S	.	.	H	α-helix	trans	-62	-48.3	177.9	-158.5	-175.2	45.9	0	0	112.7	V1026 A1034 I1045 N1062	V1026-Q1030 WeakPolarHBondContact O-CB 3.21Å; V1026-Q1030 PolarHBondContact O-N 2.85Å; Q1030-A1034 VanDerWaalsContact O-CB 3.29Å; Q1030-A1034 WeakPolarHBondContact O-CB 3.33Å; Q1030-I1045 HydrophobicContact CB-CD1 3.66Å; Q1030-I1045 HydrophobicContact CG-CD1 4.09Å; Q1030-N1062 PolarHBondContact NE2-OD1 2.91Å
1031	I	83	Confident	75.3	Confident	81 Å²	81	48 Å²	48	42%	0.415	25%	0.248	S	C	.	.	H	α-helix	trans	-79.4	-43.6	-177.1	-65	176.4	0	0	0	111.3	K1027 A1034 K1035	K1027-I1031 HydrophobicContact CD-CD1 4.44Å; K1027-I1031 HydrophobicContact CG-CD1 3.69Å; K1027-I1031 HydrophobicContact CG-CG1 4.36Å; K1027-I1031 WeakPolarHBondContact O-CB 3.46Å; K1027-I1031 WeakPolarHBondContact O-CG1 3.4Å; K1027-I1031 PolarHBondContact O-N 3.16Å; I1031-A1034 WeakPolarHBondContact O-CB 3.42Å; I1031-A1034 PolarHBondContact O-N 3.41Å; I1031-K1035 PolarHBondContact O-N 3.01Å
1032	G	77.1	Confident	74.6	Confident	2 Å²	2	52.4 Å²	52.4	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-63.8	-47.7	-175.8	0	0	0	0	0	112	L1028 A1034 K1035 H1036	L1028-G1032 WeakPolarHBondContact O-CA 3.36Å; L1028-G1032 PolarHBondContact O-N 3.22Å; G1032-A1034 VanDerWaalsContact C-N 3.3Å; G1032-A1034 PolarHBondContact O-N 3.22Å; G1032-K1035 PolarHBondContact O-N 2.94Å; G1032-H1036 PolarHBondContact O-CD2 3.42Å; G1032-H1036 VanDerWaalsContact O-CD2 3.24Å
1033	L	75.9	Confident	74.3	Confident	27 Å²	27	53 Å²	53	14%	0.141	27%	0.272	C	S	.	.	H	α-helix	trans	-69.4	-27.9	177.7	-63.9	178.8	0	0	0	112.9	F455 L1003 M1007 V1029 K1035 H1036 S1037 P1043	F455-L1033 HydrophobicContact CD2-CD1 4.39Å; F455-L1033 HydrophobicContact CE1-CD1 4.49Å; F455-L1033 HydrophobicContact CE2-CD1 3.36Å; F455-L1033 HydrophobicContact CZ-CD1 3.42Å; F455-L1033 VanDerWaalsContact CZ-CD1 3.42Å; L1003-L1033 HydrophobicContact CD2-CD2 4.45Å; L1003-L1033 HydrophobicContact CD2-CG 4.49Å; M1007-L1033 HydrophobicContact CE-CD1 4.48Å; M1007-L1033 HydrophobicContact CE-CD2 4.28Å; M1007-L1033 HydrophobicContact CG-CD2 4.13Å; M1007-L1033 HydrophobicContact SD-CD1 4.07Å; M1007-L1033 HydrophobicContact SD-CD2 4.08Å; V1029-L1033 HydrophobicContact CG1-CD1 3.66Å; V1029-L1033 HydrophobicContact CG1-CG 4.39Å; V1029-L1033 WeakPolarHBondContact O-CB 3.33Å; V1029-L1033 WeakPolarHBondContact O-CG 3.48Å; V1029-L1033 PolarHBondContact O-N 3.07Å; L1033-K1035 VanDerWaalsContact C-N 3.33Å; L1033-K1035 PolarHBondContact O-N 3.26Å; L1033-H1036 PolarHBondContact O-N 2.68Å; L1033-S1037 PolarHBondContact O-N 2.93Å; L1033-P1043 HydrophobicContact CB-CG 3.82Å; L1033-P1043 HydrophobicContact CD1-CG 3.85Å; L1033-P1043 HydrophobicContact CG-CG 4.49Å
1034	A	71.1	Confident	74.3	Confident	24 Å²	24	52.9 Å²	52.9	20%	0.198	27%	0.27	C	S	.	.	H	α-helix	trans	-65.1	-32.1	172.9	0	0	0	0	0	113.3	Q1030 I1031 G1032 H1036 S1037 K1042	Q1030-A1034 VanDerWaalsContact O-CB 3.29Å; Q1030-A1034 WeakPolarHBondContact O-CB 3.33Å; I1031-A1034 WeakPolarHBondContact O-CB 3.42Å; I1031-A1034 PolarHBondContact O-N 3.41Å; G1032-A1034 VanDerWaalsContact C-N 3.3Å; G1032-A1034 PolarHBondContact O-N 3.22Å; A1034-H1036 VanDerWaalsContact C-N 3.3Å; A1034-H1036 PolarHBondContact O-N 3.42Å; A1034-S1037 PolarHBondContact O-OG 3.32Å; A1034-K1042 HydrophobicContact CB-CB 4.43Å; A1034-K1042 HydrophobicContact CB-CD 4.3Å; A1034-K1042 HydrophobicContact CB-CG 3.79Å
1035	K	66.3	Low	74.4	Confident	109 Å²	109	50.9 Å²	50.9	47%	0.474	26%	0.256	S	S	.	.	H	α-helix	trans	-67.8	-29	175	-67.4	175.3	-177.1	173	0	113	D1000 I1031 G1032 L1033	D1000-K1035 IonicContact OD1-NZ 3.3Å; D1000-K1035 PolarHBondContact OD1-NZ 3.12Å; D1000-K1035 IonicContact OD2-NZ 2.79Å; I1031-K1035 PolarHBondContact O-N 3.01Å; G1032-K1035 PolarHBondContact O-N 2.94Å; L1033-K1035 VanDerWaalsContact C-N 3.33Å; L1033-K1035 PolarHBondContact O-N 3.26Å
1036	H	56.4	Low	74.5	Confident	46 Å²	46	50.9 Å²	50.9	21%	0.213	26%	0.256	C	S	.	.	H	α-helix	trans	-93.4	-13.3	-174.2	-69.9	-71.6	0	0	0	113.8	N963 G1032 L1033 A1034 R1038	N963-H1036 PolarHBondContact OD1-O 3.12Å; G1032-H1036 PolarHBondContact O-CD2 3.42Å; G1032-H1036 VanDerWaalsContact O-CD2 3.24Å; L1033-H1036 PolarHBondContact O-N 2.68Å; A1034-H1036 VanDerWaalsContact C-N 3.3Å; A1034-H1036 PolarHBondContact O-N 3.42Å; H1036-R1038 PolarHBondContact O-N 2.95Å
1037	S	55.3	Low	74.7	Confident	39 Å²	39	50.9 Å²	50.9	27%	0.273	26%	0.256	S	S	.	.			trans	-80.3	109	173.5	55.4	0	0	0	0	110.8	L1033 A1034 L1039 S1040 M1041	L1033-S1037 PolarHBondContact O-N 2.93Å; A1034-S1037 PolarHBondContact O-OG 3.32Å; S1037-L1039 PolarHBondContact O-N 3.25Å; S1037-S1040 PolarHBondContact O-N 3.1Å; S1037-M1041 WeakPolarHBondContact CB-O 3.47Å; S1037-M1041 PolarHBondContact OG-O 3.03Å
1038	R	48.7	Very low	74.9	Confident	133 Å²	133	46 Å²	46	50%	0.502	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-1.2	174.9	-73.6	-158.7	-159.1	162.3	-0.8	115.1	C960 R967 H1036	C960-R1038 PolarHBondContact O-NH2 2.89Å; C960-R1038 PolarHBondContact SG-NH2 2.97Å; R967-R1038 VanDerWaalsContact NH2-CD 3.31Å; H1036-R1038 PolarHBondContact O-N 2.95Å
1039	L	51	Low	74.9	Confident	139 Å²	139	45.2 Å²	45.2	73%	0.728	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-134.6	31.1	-175.3	-138.5	82.7	0	0	0	111.9	S1037 M1041	S1037-L1039 PolarHBondContact O-N 3.25Å; L1039-M1041 PolarHBondContact O-N 2.67Å
1040	S	51.3	Low	74.6	Confident	93 Å²	93	45.3 Å²	45.3	65%	0.65	23%	0.231	S	C	*	.			trans	55.5	0.6	172.3	-61.8	0	0	0	0	118.4	S1037 K1042	S1037-S1040 PolarHBondContact O-N 3.1Å; S1040-K1042 PolarHBondContact O-N 3.44Å
1041	M	59.9	Low	73.9	Confident	81 Å²	81	44.1 Å²	44.1	40%	0.399	23%	0.227	S	C	.	.			trans	-73.1	113.2	178.3	-71.9	-174.6	174.4	0	0	110.2	L343 S1037 L1039	L343-M1041 HydrophobicContact CD1-CE 3.37Å; S1037-M1041 WeakPolarHBondContact CB-O 3.47Å; S1037-M1041 PolarHBondContact OG-O 3.03Å; L1039-M1041 PolarHBondContact O-N 2.67Å
1042	K	70.8	Confident	72.9	Confident	119 Å²	119	40.9 Å²	40.9	52%	0.517	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-76	138.4	169.2	-49.9	-171.7	179.7	169.4	0	107.9	A1034 S1040	A1034-K1042 HydrophobicContact CB-CB 4.43Å; A1034-K1042 HydrophobicContact CB-CD 4.3Å; A1034-K1042 HydrophobicContact CB-CG 3.79Å; S1040-K1042 PolarHBondContact O-N 3.44Å
1043	P	80.6	Confident	72.6	Confident	19 Å²	19	43.8 Å²	43.8	12%	0.123	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-66.1	139.6	172.4	29.3	-33.5	0	0	0	109.7	K454 F455 L1033 I1045	K454-P1043 HydrophobicContact CB-CB 4.38Å; K454-P1043 HydrophobicContact CD-CB 4.24Å; F455-P1043 HydrophobicContact CD2-CB 4.13Å; F455-P1043 HydrophobicContact CD2-CG 4.45Å; F455-P1043 HydrophobicContact CE2-CB 4.05Å; F455-P1043 HydrophobicContact CE2-CG 4.26Å; L1033-P1043 HydrophobicContact CB-CG 3.82Å; L1033-P1043 HydrophobicContact CD1-CG 3.85Å; L1033-P1043 HydrophobicContact CG-CG 4.49Å; P1043-I1045 PolarHBondContact O-N 3.06Å
1044	V	88.2	Confident	72.8	Confident	5 Å²	5	42.7 Å²	42.7	3%	0.03	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	128.6	172.6	-176.6	0	0	0	0	108.8	T339 E449 Q452 I453 K454 F455 N1062 I1063	T339-V1044 HydrophobicContact CG2-CG2 3.87Å; E449-V1044 HydrophobicContact CB-CG1 4.4Å; E449-V1044 WeakPolarHBondContact OE2-CG1 3.48Å; E449-V1044 WeakPolarHBondContact OE2-CG2 3.27Å; Q452-V1044 HydrophobicContact CB-CB 4.32Å; Q452-V1044 HydrophobicContact CB-CG2 3.73Å; Q452-V1044 WeakPolarHBondContact O-CB 3.42Å; I453-V1044 HydrophobicContact CG1-CG1 4.3Å; K454-V1044 PolarHBondContact N-O 3.13Å; F455-V1044 PolarHBondContact N-O 2.73Å; V1044-N1062 HydrophobicContact CG1-CB 4.11Å; V1044-I1063 HydrophobicContact CG1-CD1 4.09Å; V1044-I1063 HydrophobicContact CG1-CG1 4.3Å
1045	I	92.2	Very high	73.1	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124.1	-177.1	-64.6	175.4	0	0	0	109	F455 F457 V1026 V1029 Q1030 P1043 A1061 N1062 I1063	F455-I1045 HydrophobicContact CB-CG1 4.23Å; F455-I1045 HydrophobicContact CD2-CG1 4.48Å; F457-I1045 HydrophobicContact CD2-CG2 3.43Å; F457-I1045 VanDerWaalsContact CD2-CG2 3.43Å; F457-I1045 HydrophobicContact CE2-CD1 4.41Å; F457-I1045 HydrophobicContact CE2-CG2 3.37Å; V1026-I1045 HydrophobicContact CG1-CG2 4.08Å; V1029-I1045 HydrophobicContact CB-CD1 4.23Å; V1029-I1045 HydrophobicContact CG1-CD1 4.01Å; Q1030-I1045 HydrophobicContact CB-CD1 3.66Å; Q1030-I1045 HydrophobicContact CG-CD1 4.09Å; P1043-I1045 PolarHBondContact O-N 3.06Å; I1045-A1061 HydrophobicContact CG2-CB 4.27Å; I1045-N1062 WeakPolarHBondContact O-CB 3.43Å; I1045-N1062 PolarHBondContact O-N 3.27Å; I1045-I1063 PolarHBondContact O-N 3.36Å
1046	A	94.5	Very high	73.7	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	146	168.5	0	0	0	0	0	110.8	I453 F455 L456 F457 I1063 F1093	I453-A1046 HydrophobicContact CD1-CB 3.91Å; I453-A1046 HydrophobicContact CG1-CB 4.21Å; I453-A1046 HydrophobicContact CG2-CB 3.79Å; F455-A1046 PolarHBondContact O-N 3.19Å; L456-A1046 WeakPolarHBondContact CA-O 3.46Å; L456-A1046 HydrophobicContact CD1-CB 3.72Å; F457-A1046 PolarHBondContact N-O 2.88Å; A1046-I1063 CarbonylContact C-O 3.56Å; A1046-I1063 VanDerWaalsContact CA-O 3.29Å; A1046-I1063 WeakPolarHBondContact CA-O 3.47Å; A1046-I1063 HydrophobicContact CB-CB 4.3Å; A1046-F1093 HydrophobicContact CB-CE2 4.45Å; A1046-F1093 HydrophobicContact CB-CZ 4.03Å
1047	A	94.6	Very high	75.1	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	139.6	171.8	0	0	0	0	0	110.8	F457 M1057 A1061 I1063 V1065	F457-A1047 HydrophobicContact CB-CB 4.4Å; F457-A1047 CarbonylContact O-C 3.54Å; F457-A1047 VanDerWaalsContact O-CA 3.29Å; F457-A1047 WeakPolarHBondContact O-CA 3.19Å; A1047-M1057 HydrophobicContact CB-CE 4.32Å; A1047-M1057 HydrophobicContact CB-CG 3.88Å; A1047-M1057 HydrophobicContact CB-SD 4.45Å; A1047-A1061 HydrophobicContact CB-CB 3.53Å; A1047-I1063 PolarHBondContact N-O 3.43Å; A1047-V1065 PolarHBondContact O-N 2.95Å
1048	V	94.6	Very high	76.6	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	130.8	-177.2	-170.2	0	0	0	0	109.6	L456 F457 D459 T463 M1057 V1065 V1067 F1086 I1089	L456-V1048 HydrophobicContact CD1-CG2 3.53Å; L456-V1048 HydrophobicContact CG-CG2 4.36Å; F457-V1048 PolarHBondContact O-N 3.37Å; D459-V1048 PolarHBondContact N-O 3.05Å; T463-V1048 HydrophobicContact CG2-CB 4.42Å; T463-V1048 HydrophobicContact CG2-CG1 3.73Å; V1048-M1057 VanDerWaalsContact O-CE 3.28Å; V1048-M1057 WeakPolarHBondContact O-CE 3.3Å; V1048-V1065 WeakPolarHBondContact CA-O 3.27Å; V1048-V1065 HydrophobicContact CG2-CB 4.23Å; V1048-V1067 HydrophobicContact CG1-CG2 3.62Å; V1048-F1086 HydrophobicContact CG1-CD2 4.29Å; V1048-F1086 HydrophobicContact CG1-CE2 4.21Å; V1048-I1089 HydrophobicContact CB-CD1 4.47Å; V1048-I1089 HydrophobicContact CG1-CD1 3.68Å; V1048-I1089 HydrophobicContact CG2-CD1 3.93Å
1049	G	88.4	Confident	78.4	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	171.6	173.6	0	0	0	0	0	111.2	T463 V1065 G1066 V1067 A1075	T463-G1049 VanDerWaalsContact OG1-CA 3.28Å; T463-G1049 WeakPolarHBondContact OG1-CA 3.44Å; G1049-V1065 PolarHBondContact N-O 2.94Å; G1049-G1066 CarbonylContact O-C 3.46Å; G1049-G1066 WeakPolarHBondContact O-CA 3.32Å; G1049-V1067 PolarHBondContact O-N 3.07Å; G1049-A1075 WeakPolarHBondContact O-CB 3.22Å
1050	D	82.9	Confident	80.1	Confident	3 Å²	3	27.5 Å²	27.5	2%	0.016	16%	0.157	C	C	.	.	S	Bend	trans	-125.1	-36.6	-179.6	64.5	-57.4	0	0	0	113.2	G462 T463 V1067 A1075	G462-D1050 VanDerWaalsContact CA-OD2 3.28Å; G462-D1050 WeakPolarHBondContact CA-OD2 3.48Å; T463-D1050 PolarHBondContact N-OD1 3.34Å; T463-D1050 PolarHBondContact OG1-N 3.38Å; T463-D1050 PolarHBondContact OG1-OD1 2.93Å; D1050-V1067 WeakPolarHBondContact CA-O 3.19Å; D1050-V1067 HydrophobicContact CB-CB 4.16Å; D1050-V1067 WeakPolarHBondContact CB-O 3.28Å; D1050-A1075 WeakPolarHBondContact O-CB 3.49Å
1051	G	68.4	Low	82	Confident	6 Å²	6	23.2 Å²	23.2	6%	0.062	13%	0.127	C	C	.	.	S	Bend	trans	-88.2	170.1	179	0	0	0	0	0	115.5	N1053 D1054	G1051-N1053 PolarHBondContact O-N 3.44Å; G1051-D1054 PolarHBondContact O-N 3.39Å; G1051-D1054 VanDerWaalsContact O-N 3.12Å
1052	G	63.2	Low	83.4	Confident	14 Å²	14	20.5 Å²	20.5	14%	0.144	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-62.5	-28.9	175.7	0	0	0	0	0	113.1	D186 D1054 V1055 E1074	D186-G1052 VanDerWaalsContact C-CA 3.5Å; D186-G1052 WeakPolarHBondContact O-CA 3.5Å; D186-G1052 PolarHBondContact O-N 3.05Å; G1052-D1054 PolarHBondContact O-N 3.12Å; G1052-V1055 WeakPolarHBondContact O-CB 3.16Å; G1052-V1055 PolarHBondContact O-N 3.14Å; G1052-V1055 VanDerWaalsContact O-N 3.1Å; G1052-E1074 WeakPolarHBondContact CA-OE2 3.42Å
1053	N	71.3	Confident	84.4	Confident	63 Å²	63	14.9 Å²	14.9	34%	0.337	9%	0.089	S	C	.	.	G	3₁₀ helix	trans	-55.3	-21.2	172.4	-75.7	-52.8	0	0	0	114.3	P1019 G1051	P1019-N1053 WeakPolarHBondContact CB-O 3.13Å; P1019-N1053 HydrophobicContact CG-CB 4.24Å; P1019-N1053 WeakPolarHBondContact CG-OD1 3.35Å; G1051-N1053 PolarHBondContact O-N 3.44Å
1054	D	79.1	Confident	85	Confident	3 Å²	3	14 Å²	14	2%	0.016	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-101.9	-10.9	179.9	-66.4	-47.8	0	0	0	114.6	D459 K1022 G1051 G1052 A1056 M1057 I1058	D459-D1054 VanDerWaalsContact CB-OD2 3.29Å; D459-D1054 WeakPolarHBondContact CB-OD2 3.43Å; K1022-D1054 VanDerWaalsContact CD-OD1 3.31Å; K1022-D1054 WeakPolarHBondContact CD-OD1 3.48Å; K1022-D1054 IonicContact NZ-OD1 3.91Å; K1022-D1054 PolarHBondContact NZ-OD1 3.02Å; K1022-D1054 IonicContact NZ-OD2 3.7Å; G1051-D1054 PolarHBondContact O-N 3.39Å; G1051-D1054 VanDerWaalsContact O-N 3.12Å; G1052-D1054 PolarHBondContact O-N 3.12Å; D1054-A1056 PolarHBondContact O-N 3.24Å; D1054-M1057 HydrophobicContact CB-CE 4.1Å; D1054-M1057 WeakPolarHBondContact O-CA 3.47Å; D1054-M1057 VanDerWaalsContact O-CB 3.28Å; D1054-M1057 WeakPolarHBondContact O-CB 3.45Å; D1054-M1057 PolarHBondContact O-N 3.49Å; D1054-I1058 HydrophobicContact CB-CD1 4.02Å; D1054-I1058 HydrophobicContact CB-CG1 4.46Å; D1054-I1058 WeakPolarHBondContact O-CG1 3.49Å; D1054-I1058 PolarHBondContact O-N 3.09Å
1055	V	77.2	Confident	85.2	Confident	31 Å²	31	13.7 Å²	13.7	19%	0.188	8%	0.082	C	C	.	.	H	α-helix	trans	-54.9	-40.7	-179	169.9	0	0	0	0	111.5	G1052 M1057 I1058 L1059 E1074 A1078	G1052-V1055 WeakPolarHBondContact O-CB 3.16Å; G1052-V1055 PolarHBondContact O-N 3.14Å; G1052-V1055 VanDerWaalsContact O-N 3.1Å; V1055-M1057 VanDerWaalsContact C-N 3.31Å; V1055-M1057 PolarHBondContact O-N 2.94Å; V1055-I1058 PolarHBondContact O-N 3.16Å; V1055-L1059 HydrophobicContact CG1-CD1 3.52Å; V1055-L1059 HydrophobicContact CG1-CG 4.19Å; V1055-L1059 WeakPolarHBondContact O-CB 3.4Å; V1055-L1059 VanDerWaalsContact O-CG 3.23Å; V1055-L1059 WeakPolarHBondContact O-CG 3.19Å; V1055-L1059 PolarHBondContact O-N 2.67Å; V1055-E1074 HydrophobicContact CG2-CB 4.05Å; V1055-A1078 HydrophobicContact CB-CB 4.41Å; V1055-A1078 HydrophobicContact CG1-CB 3.75Å; V1055-A1078 HydrophobicContact CG2-CB 4.07Å
1056	A	79	Confident	85.1	Confident	32 Å²	32	13.7 Å²	13.7	26%	0.264	8%	0.082	S	C	.	.	H	α-helix	trans	-63.4	-33.6	175.8	0	0	0	0	0	113.3	P1019 A1023 D1054 Q1060	P1019-A1056 HydrophobicContact CB-CB 4.41Å; A1023-A1056 HydrophobicContact CB-CB 4.1Å; A1023-A1056 VanDerWaalsContact CB-O 3.3Å; A1023-A1056 WeakPolarHBondContact CB-O 3.46Å; D1054-A1056 PolarHBondContact O-N 3.24Å; A1056-Q1060 VanDerWaalsContact O-CB 3.25Å; A1056-Q1060 WeakPolarHBondContact O-CB 3.34Å; A1056-Q1060 PolarHBondContact O-N 3.24Å
1057	M	86.3	Confident	84.9	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-74.4	-46.2	177.2	-172.2	-178.1	57.2	0	0	111.1	F457 L818 K1022 V1026 A1047 V1048 D1054 V1055 Q1060 A1061	F457-M1057 HydrophobicContact CB-SD 4.01Å; L818-M1057 HydrophobicContact CB-SD 4.23Å; L818-M1057 HydrophobicContact CD1-SD 3.78Å; L818-M1057 HydrophobicContact CG-SD 4.5Å; K1022-M1057 HydrophobicContact CB-CB 3.95Å; K1022-M1057 HydrophobicContact CB-CG 4.14Å; K1022-M1057 HydrophobicContact CB-SD 4.09Å; K1022-M1057 HydrophobicContact CD-SD 4.32Å; V1026-M1057 HydrophobicContact CG2-CG 3.63Å; A1047-M1057 HydrophobicContact CB-CE 4.32Å; A1047-M1057 HydrophobicContact CB-CG 3.88Å; A1047-M1057 HydrophobicContact CB-SD 4.45Å; V1048-M1057 VanDerWaalsContact O-CE 3.28Å; V1048-M1057 WeakPolarHBondContact O-CE 3.3Å; D1054-M1057 HydrophobicContact CB-CE 4.1Å; D1054-M1057 WeakPolarHBondContact O-CA 3.47Å; D1054-M1057 VanDerWaalsContact O-CB 3.28Å; D1054-M1057 WeakPolarHBondContact O-CB 3.45Å; D1054-M1057 PolarHBondContact O-N 3.49Å; V1055-M1057 VanDerWaalsContact C-N 3.31Å; V1055-M1057 PolarHBondContact O-N 2.94Å; M1057-Q1060 PolarHBondContact O-N 3.12Å; M1057-A1061 PolarHBondContact O-N 3.34Å; M1057-A1061 VanDerWaalsContact O-N 3.11Å
1058	I	87.6	Confident	84.3	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62.4	-44.4	-180	-71	171.6	0	0	0	111.6	K336 D1054 V1055 Q1060 A1075 A1079	K336-I1058 PolarHBondContact NZ-O 2.67Å; K336-I1058 VanDerWaalsContact NZ-O 3.14Å; D1054-I1058 HydrophobicContact CB-CD1 4.02Å; D1054-I1058 HydrophobicContact CB-CG1 4.46Å; D1054-I1058 WeakPolarHBondContact O-CG1 3.49Å; D1054-I1058 PolarHBondContact O-N 3.09Å; V1055-I1058 PolarHBondContact O-N 3.16Å; I1058-Q1060 VanDerWaalsContact C-N 3.35Å; I1058-A1075 HydrophobicContact CD1-CB 3.56Å; I1058-A1079 HydrophobicContact CG2-CB 3.85Å
1059	L	85.3	Confident	83.1	Confident	53 Å²	53	16 Å²	16	28%	0.277	10%	0.096	S	C	.	.	H	α-helix	trans	-71	-29.4	178.1	-68.3	171.1	0	0	0	112.7	N332 V1055 A1078	N332-L1059 HydrophobicContact CB-CD1 3.82Å; V1055-L1059 HydrophobicContact CG1-CD1 3.52Å; V1055-L1059 HydrophobicContact CG1-CG 4.19Å; V1055-L1059 WeakPolarHBondContact O-CB 3.4Å; V1055-L1059 VanDerWaalsContact O-CG 3.23Å; V1055-L1059 WeakPolarHBondContact O-CG 3.19Å; V1055-L1059 PolarHBondContact O-N 2.67Å; L1059-A1078 HydrophobicContact CD2-CB 4.27Å; L1059-A1078 WeakPolarHBondContact CD2-O 3.49Å; L1059-A1078 HydrophobicContact CG-CB 4.35Å
1060	Q	87.3	Confident	81.8	Confident	56 Å²	56	22.2 Å²	22.2	26%	0.262	12%	0.122	S	C	.	.	H	α-helix	trans	-82	-19.9	179.3	-175.4	55.1	93.7	0	0	113.3	A1023 V1026 K1027 A1056 M1057 I1058	A1023-Q1060 HydrophobicContact CB-CB 4.2Å; A1023-Q1060 HydrophobicContact CB-CG 4.35Å; A1023-Q1060 WeakPolarHBondContact O-CG 3.31Å; V1026-Q1060 HydrophobicContact CB-CG 4.25Å; V1026-Q1060 HydrophobicContact CG1-CB 4.31Å; V1026-Q1060 HydrophobicContact CG1-CG 4.02Å; K1027-Q1060 HydrophobicContact CB-CG 4.07Å; A1056-Q1060 VanDerWaalsContact O-CB 3.25Å; A1056-Q1060 WeakPolarHBondContact O-CB 3.34Å; A1056-Q1060 PolarHBondContact O-N 3.24Å; M1057-Q1060 PolarHBondContact O-N 3.12Å; I1058-Q1060 VanDerWaalsContact C-N 3.35Å
1061	A	90	Very high	80.3	Confident	3 Å²	3	23.5 Å²	23.5	3%	0.025	13%	0.128	C	C	.	.	S	Bend	trans	-78	157.1	176.6	0	0	0	0	0	112.9	K336 V1026 I1045 A1047 M1057 I1063	K336-A1061 WeakPolarHBondContact CE-O 3.38Å; K336-A1061 PolarHBondContact NZ-O 2.65Å; V1026-A1061 HydrophobicContact CG1-CB 4.07Å; I1045-A1061 HydrophobicContact CG2-CB 4.27Å; A1047-A1061 HydrophobicContact CB-CB 3.53Å; M1057-A1061 PolarHBondContact O-N 3.34Å; M1057-A1061 VanDerWaalsContact O-N 3.11Å; A1061-I1063 VanDerWaalsContact C-N 3.28Å; A1061-I1063 WeakPolarHBondContact CB-O 3.24Å; A1061-I1063 PolarHBondContact O-N 3.02Å
1062	N	89.8	Confident	79.6	Confident	24 Å²	24	23.3 Å²	23.3	13%	0.128	13%	0.126	C	C	.	.	S	Bend	trans	-62.8	-37.8	173.2	-75.3	87.4	0	0	0	111.3	K336 Q1030 V1044 I1045	K336-N1062 WeakPolarHBondContact CD-O 3.29Å; Q1030-N1062 PolarHBondContact NE2-OD1 2.91Å; V1044-N1062 HydrophobicContact CG1-CB 4.11Å; I1045-N1062 WeakPolarHBondContact O-CB 3.43Å; I1045-N1062 PolarHBondContact O-N 3.27Å
1063	I	92.6	Very high	79.8	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	124.2	173.9	-48.8	177.3	0	0	0	108.4	E449 L450 I453 V1044 I1045 A1046 A1047 A1061 V1065 Y1081	E449-I1063 VanDerWaalsContact C-CD1 3.47Å; E449-I1063 HydrophobicContact CB-CD1 3.68Å; E449-I1063 HydrophobicContact CB-CG1 4.05Å; L450-I1063 HydrophobicContact CD2-CD1 3.96Å; L450-I1063 HydrophobicContact CD2-CG2 4.05Å; L450-I1063 HydrophobicContact CG-CD1 4.38Å; I453-I1063 HydrophobicContact CD1-CD1 3.93Å; I453-I1063 HydrophobicContact CG1-CD1 3.78Å; V1044-I1063 HydrophobicContact CG1-CD1 4.09Å; V1044-I1063 HydrophobicContact CG1-CG1 4.3Å; I1045-I1063 PolarHBondContact O-N 3.36Å; A1046-I1063 CarbonylContact C-O 3.56Å; A1046-I1063 VanDerWaalsContact CA-O 3.29Å; A1046-I1063 WeakPolarHBondContact CA-O 3.47Å; A1046-I1063 HydrophobicContact CB-CB 4.3Å; A1047-I1063 PolarHBondContact N-O 3.43Å; A1061-I1063 VanDerWaalsContact C-N 3.28Å; A1061-I1063 WeakPolarHBondContact CB-O 3.24Å; A1061-I1063 PolarHBondContact O-N 3.02Å; I1063-V1065 HydrophobicContact CG2-CG2 4.31Å; I1063-Y1081 HydrophobicContact CG2-CD2 3.85Å; I1063-Y1081 HydrophobicContact CG2-CE2 4.03Å
1064	G	92.1	Very high	79.5	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.7	168.7	0	0	0	0	0	110.9	D1080 Y1081	G1064-D1080 PolarHBondContact N-OD2 3.42Å; G1064-D1080 WeakPolarHBondContact O-CB 3.42Å; G1064-D1080 PolarHBondContact O-N 3.01Å; G1064-Y1081 PolarHBondContact O-N 3.08Å; G1064-Y1081 VanDerWaalsContact O-N 3.11Å
1065	V	93.8	Very high	79.2	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	119.6	172.9	-177.5	0	0	0	0	108.8	A1047 V1048 G1049 I1063 Y1081 V1083 I1089 L1092 F1093	A1047-V1065 PolarHBondContact O-N 2.95Å; V1048-V1065 WeakPolarHBondContact CA-O 3.27Å; V1048-V1065 HydrophobicContact CG2-CB 4.23Å; G1049-V1065 PolarHBondContact N-O 2.94Å; I1063-V1065 HydrophobicContact CG2-CG2 4.31Å; V1065-Y1081 CarbonylContact C-O 3.54Å; V1065-Y1081 VanDerWaalsContact CA-O 3.3Å; V1065-Y1081 WeakPolarHBondContact CA-O 3.38Å; V1065-V1083 HydrophobicContact CG1-CB 4.47Å; V1065-V1083 HydrophobicContact CG1-CG1 4.01Å; V1065-V1083 HydrophobicContact CG1-CG2 3.66Å; V1065-I1089 HydrophobicContact CG1-CG1 4.46Å; V1065-L1092 HydrophobicContact CG2-CD2 4.43Å; V1065-F1093 HydrophobicContact CG2-CE1 4.15Å; V1065-F1093 HydrophobicContact CG2-CZ 4.21Å
1066	G	90.1	Very high	79.3	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	121.5	176.8	0	0	0	0	0	109.9	G1049 Y1081 S1082 V1083	G1049-G1066 CarbonylContact O-C 3.46Å; G1049-G1066 WeakPolarHBondContact O-CA 3.32Å; G1066-Y1081 PolarHBondContact N-O 3.15Å; G1066-S1082 CarbonylContact O-C 3.56Å; G1066-S1082 VanDerWaalsContact O-CA 3.3Å; G1066-S1082 WeakPolarHBondContact O-CA 3.35Å; G1066-V1083 PolarHBondContact O-N 3.05Å
1067	V	89.6	Confident	79	Confident	0 Å²	0	34 Å²	34	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	139.3	168.8	-173.7	0	0	0	0	108.3	T463 V1048 G1049 D1050 G1069 V1076 V1083	T463-V1067 HydrophobicContact CG2-CG2 4.29Å; V1048-V1067 HydrophobicContact CG1-CG2 3.62Å; G1049-V1067 PolarHBondContact O-N 3.07Å; D1050-V1067 WeakPolarHBondContact CA-O 3.19Å; D1050-V1067 HydrophobicContact CB-CB 4.16Å; D1050-V1067 WeakPolarHBondContact CB-O 3.28Å; V1067-G1069 VanDerWaalsContact C-N 3.32Å; V1067-G1069 PolarHBondContact O-N 3.18Å; V1067-V1076 WeakPolarHBondContact O-CG2 3.45Å; V1067-V1083 CarbonylContact C-O 3.55Å; V1067-V1083 VanDerWaalsContact CA-O 3.28Å; V1067-V1083 WeakPolarHBondContact CA-O 3.36Å; V1067-V1083 HydrophobicContact CG2-CG2 3.96Å
1068	Y	82.7	Confident	78.3	Confident	34 Å²	34	35.3 Å²	35.3	13%	0.133	16%	0.16	C	C	.	.			trans	-68.6	93.7	170.6	-73.7	-96.3	0	0	0	109	I437 V1076 S1082 V1083 T1084	I437-Y1068 HydrophobicContact CD1-CD1 4.09Å; I437-Y1068 HydrophobicContact CG2-CD1 3.9Å; I437-Y1068 HydrophobicContact CG2-CD2 4.08Å; I437-Y1068 HydrophobicContact CG2-CE1 3.67Å; I437-Y1068 HydrophobicContact CG2-CE2 3.86Å; I437-Y1068 HydrophobicContact CG2-CG 4.11Å; Y1068-V1076 HydrophobicContact CD1-CG1 4.27Å; Y1068-V1076 HydrophobicContact CD1-CG2 4.03Å; Y1068-V1076 HydrophobicContact CD2-CG2 4.08Å; Y1068-V1076 HydrophobicContact CE1-CG1 3.7Å; Y1068-V1076 HydrophobicContact CE1-CG2 4.28Å; Y1068-V1076 HydrophobicContact CE2-CG1 4.31Å; Y1068-V1076 HydrophobicContact CE2-CG2 4.33Å; Y1068-V1076 HydrophobicContact CG-CG2 3.93Å; Y1068-S1082 VanDerWaalsContact CE2-CB 3.48Å; Y1068-S1082 WeakPolarHBondContact CE2-OG 3.44Å; Y1068-S1082 PolarHBondContact OH-OG 3.18Å; Y1068-V1083 WeakPolarHBondContact CD2-O 3.5Å; Y1068-V1083 PolarHBondContact N-O 3.2Å; Y1068-T1084 HydrophobicContact CD2-CG2 4.18Å; Y1068-T1084 HydrophobicContact CE2-CG2 4.47Å
1069	G	68.2	Low	78.2	Confident	15 Å²	15	35.6 Å²	35.6	16%	0.155	16%	0.162	C	C	.	.			trans	-76.8	155.4	173	0	0	0	0	0	111.2	V1067	V1067-G1069 VanDerWaalsContact C-N 3.32Å; V1067-G1069 PolarHBondContact O-N 3.18Å
1070	K	60.6	Low	78.4	Confident	129 Å²	129	33.6 Å²	33.6	56%	0.561	15%	0.152	S	C	*	.	S	Bend	trans	-63	-37.2	164.4	-71.7	178.8	179.4	172.6	0	110.4	N189 G1072	N189-K1070 VanDerWaalsContact CG-O 3.22Å; N189-K1070 PolarHBondContact ND2-O 2.92Å; N189-K1070 PolarHBondContact OD1-O 2.74Å; K1070-G1072 VanDerWaalsContact C-N 3.29Å; K1070-G1072 PolarHBondContact O-N 3.3Å
1071	E	51.6	Low	78.6	Confident	30 Å²	30	31 Å²	31	14%	0.14	14%	0.14	C	C	.	.	S	Bend	trans	-70.6	-17.2	-169	-52.3	-172.8	-162.9	0	0	115.3	M183 G187 E188 N189 N467	M183-E1071 WeakPolarHBondContact CG-O 3.49Å; G187-E1071 CarbonylContact C-O 3.54Å; G187-E1071 CarbonylContact O-C 3.56Å; G187-E1071 VanDerWaalsContact O-C 3.22Å; G187-E1071 WeakPolarHBondContact O-CB 3.44Å; E188-E1071 CarbonylContact C-O 3.57Å; N189-E1071 HydrophobicContact CB-CB 4.4Å; N189-E1071 PolarHBondContact N-O 3.49Å; N189-E1071 PolarHBondContact OD1-O 3.08Å; N467-E1071 PolarHBondContact ND2-OE1 3.48Å
1072	G	55.1	Low	78.6	Confident	2 Å²	2	31 Å²	31	2%	0.021	14%	0.139	C	C	.	.			trans	166.1	-176.2	174.4	0	0	0	0	0	113.3	M183 K1070	M183-G1072 VanDerWaalsContact CG-CA 3.45Å; K1070-G1072 VanDerWaalsContact C-N 3.29Å; K1070-G1072 PolarHBondContact O-N 3.3Å
1073	R	67.1	Low	78.7	Confident	142 Å²	142	29.9 Å²	29.9	54%	0.536	13%	0.133	S	C	.	.	S	Bend	trans	-120.8	19.2	179.2	-64.5	-173.9	179.2	-173.9	-1.7	113.1	V1076 R1077	R1073-V1076 HydrophobicContact CB-CB 4.42Å; R1073-R1077 WeakPolarHBondContact O-CB 3.47Å; R1073-R1077 VanDerWaalsContact O-CG 3.23Å; R1073-R1077 WeakPolarHBondContact O-CG 3.4Å; R1073-R1077 PolarHBondContact O-N 2.98Å
1074	E	65.5	Low	78.5	Confident	24 Å²	24	30 Å²	30	11%	0.112	13%	0.134	C	C	.	.	H	α-helix	trans	-70.6	-48.7	-176.3	-77.5	171.1	-132.2	0	0	113.3	N184 L185 D186 G187 G1052 V1055 V1076 R1077 A1078	N184-E1074 VanDerWaalsContact C-CD 3.5Å; N184-E1074 WeakPolarHBondContact CA-OE1 3.21Å; N184-E1074 PolarHBondContact N-OE1 3.45Å; L185-E1074 VanDerWaalsContact C-OE1 3.26Å; L185-E1074 WeakPolarHBondContact CA-OE1 3.33Å; L185-E1074 PolarHBondContact N-OE1 3.06Å; D186-E1074 PolarHBondContact N-OE1 2.83Å; D186-E1074 PolarHBondContact N-OE2 3.44Å; G187-E1074 WeakPolarHBondContact CA-OE1 3.35Å; G187-E1074 VanDerWaalsContact N-CD 3.25Å; G187-E1074 PolarHBondContact N-OE1 3.38Å; G187-E1074 PolarHBondContact N-OE2 2.98Å; G1052-E1074 WeakPolarHBondContact CA-OE2 3.42Å; V1055-E1074 HydrophobicContact CG2-CB 4.05Å; E1074-V1076 VanDerWaalsContact C-N 3.28Å; E1074-V1076 PolarHBondContact O-N 3.25Å; E1074-R1077 PolarHBondContact O-N 3.19Å; E1074-R1077 VanDerWaalsContact O-N 3.12Å; E1074-A1078 WeakPolarHBondContact O-CB 3.28Å; E1074-A1078 PolarHBondContact O-N 2.86Å
1075	A	71.8	Confident	78.4	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-57.9	-45.2	173.7	0	0	0	0	0	110.6	G1049 D1050 I1058 R1077 A1078 A1079	G1049-A1075 WeakPolarHBondContact O-CB 3.22Å; D1050-A1075 WeakPolarHBondContact O-CB 3.49Å; I1058-A1075 HydrophobicContact CD1-CB 3.56Å; A1075-R1077 VanDerWaalsContact C-N 3.32Å; A1075-R1077 PolarHBondContact O-N 2.99Å; A1075-A1078 PolarHBondContact O-N 3.33Å; A1075-A1079 WeakPolarHBondContact O-CB 3.25Å; A1075-A1079 PolarHBondContact O-N 3.07Å
1076	V	79.5	Confident	78.3	Confident	8 Å²	8	31.1 Å²	31.1	5%	0.048	14%	0.14	C	C	.	.	H	α-helix	trans	-55.3	-41.1	174.2	163.9	0	0	0	0	112.8	N442 V1067 Y1068 R1073 E1074	N442-V1076 PolarHBondContact ND2-O 3.03Å; V1067-V1076 WeakPolarHBondContact O-CG2 3.45Å; Y1068-V1076 HydrophobicContact CD1-CG1 4.27Å; Y1068-V1076 HydrophobicContact CD1-CG2 4.03Å; Y1068-V1076 HydrophobicContact CD2-CG2 4.08Å; Y1068-V1076 HydrophobicContact CE1-CG1 3.7Å; Y1068-V1076 HydrophobicContact CE1-CG2 4.28Å; Y1068-V1076 HydrophobicContact CE2-CG1 4.31Å; Y1068-V1076 HydrophobicContact CE2-CG2 4.33Å; Y1068-V1076 HydrophobicContact CG-CG2 3.93Å; R1073-V1076 HydrophobicContact CB-CB 4.42Å; E1074-V1076 VanDerWaalsContact C-N 3.28Å; E1074-V1076 PolarHBondContact O-N 3.25Å
1077	R	72.4	Confident	78.4	Confident	194 Å²	194	35.6 Å²	35.6	73%	0.732	16%	0.156	S	C	*	.	H	α-helix	trans	-77.8	-26.6	179.1	-74.3	175.5	70	-165.2	1.3	113.8	R1073 E1074 A1075	R1073-R1077 WeakPolarHBondContact O-CB 3.47Å; R1073-R1077 VanDerWaalsContact O-CG 3.23Å; R1073-R1077 WeakPolarHBondContact O-CG 3.4Å; R1073-R1077 PolarHBondContact O-N 2.98Å; E1074-R1077 PolarHBondContact O-N 3.19Å; E1074-R1077 VanDerWaalsContact O-N 3.12Å; A1075-R1077 VanDerWaalsContact C-N 3.32Å; A1075-R1077 PolarHBondContact O-N 2.99Å
1078	A	72.2	Confident	78.6	Confident	28 Å²	28	36.3 Å²	36.3	23%	0.231	16%	0.16	C	C	.	.	H	α-helix	trans	-92.7	-16.2	179.7	0	0	0	0	0	113.8	V1055 L1059 E1074 A1075	V1055-A1078 HydrophobicContact CB-CB 4.41Å; V1055-A1078 HydrophobicContact CG1-CB 3.75Å; V1055-A1078 HydrophobicContact CG2-CB 4.07Å; L1059-A1078 HydrophobicContact CD2-CB 4.27Å; L1059-A1078 WeakPolarHBondContact CD2-O 3.49Å; L1059-A1078 HydrophobicContact CG-CB 4.35Å; E1074-A1078 WeakPolarHBondContact O-CB 3.28Å; E1074-A1078 PolarHBondContact O-N 2.86Å; A1075-A1078 PolarHBondContact O-N 3.33Å
1079	A	85.3	Confident	79.1	Confident	5 Å²	5	34.7 Å²	34.7	4%	0.041	15%	0.153	C	C	.	.	S	Bend	trans	-78.6	157.9	-179.3	0	0	0	0	0	113.3	N442 I1058 A1075 Y1081	N442-A1079 WeakPolarHBondContact CB-O 3.43Å; N442-A1079 PolarHBondContact ND2-O 3.32Å; I1058-A1079 HydrophobicContact CG2-CB 3.85Å; A1075-A1079 WeakPolarHBondContact O-CB 3.25Å; A1075-A1079 PolarHBondContact O-N 3.07Å; A1079-Y1081 WeakPolarHBondContact CB-O 3.28Å
1080	D	88.6	Confident	80.4	Confident	12 Å²	12	36.6 Å²	36.6	6%	0.064	16%	0.157	C	C	.	.	S	Bend	trans	-76.7	-31	173	-60.7	-73.6	0	0	0	111.5	K336 N442 N443 L446 G1064	K336-D1080 IonicContact NZ-OD1 2.72Å; K336-D1080 IonicContact NZ-OD2 2.71Å; K336-D1080 PolarHBondContact NZ-OD2 3.17Å; N442-D1080 PolarHBondContact N-O 2.92Å; N443-D1080 HydrophobicContact CB-CB 3.9Å; N443-D1080 PolarHBondContact N-O 3.07Å; N443-D1080 PolarHBondContact ND2-OD1 2.92Å; L446-D1080 HydrophobicContact CD1-CB 3.94Å; L446-D1080 VanDerWaalsContact CD1-CG 3.46Å; L446-D1080 WeakPolarHBondContact CD1-OD1 3.28Å; G1064-D1080 PolarHBondContact N-OD2 3.42Å; G1064-D1080 WeakPolarHBondContact O-CB 3.42Å; G1064-D1080 PolarHBondContact O-N 3.01Å
1081	Y	92.2	Very high	82	Confident	1 Å²	1	31.7 Å²	31.7	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139.7	174.5	-62.3	-83.1	0	0	0	110.3	I424 A441 L446 A447 L450 I1063 G1064 V1065 G1066 A1079 L1092	I424-Y1081 HydrophobicContact CD1-CE1 4.03Å; I424-Y1081 HydrophobicContact CG2-CD1 4.3Å; I424-Y1081 HydrophobicContact CG2-CE1 4.45Å; A441-Y1081 HydrophobicContact CB-CD1 3.73Å; A441-Y1081 HydrophobicContact CB-CE1 3.63Å; L446-Y1081 HydrophobicContact CB-CE2 4.28Å; A447-Y1081 WeakPolarHBondContact CA-OH 3.49Å; A447-Y1081 PolarHBondContact N-OH 2.83Å; A447-Y1081 VanDerWaalsContact N-OH 3.14Å; L450-Y1081 HydrophobicContact CD1-CE1 4.07Å; L450-Y1081 HydrophobicContact CD1-CE2 3.93Å; L450-Y1081 HydrophobicContact CD2-CD2 4.06Å; L450-Y1081 HydrophobicContact CD2-CE2 3.86Å; L450-Y1081 HydrophobicContact CG-CE2 3.96Å; I1063-Y1081 HydrophobicContact CG2-CD2 3.85Å; I1063-Y1081 HydrophobicContact CG2-CE2 4.03Å; G1064-Y1081 PolarHBondContact O-N 3.08Å; G1064-Y1081 VanDerWaalsContact O-N 3.11Å; V1065-Y1081 CarbonylContact C-O 3.54Å; V1065-Y1081 VanDerWaalsContact CA-O 3.3Å; V1065-Y1081 WeakPolarHBondContact CA-O 3.38Å; G1066-Y1081 PolarHBondContact N-O 3.15Å; A1079-Y1081 WeakPolarHBondContact CB-O 3.28Å; Y1081-L1092 HydrophobicContact CD1-CD1 4.31Å; Y1081-L1092 HydrophobicContact CG-CD2 4.3Å
1082	S	90.5	Very high	84.1	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.014	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	135.2	168.9	70	0	0	0	0	110.5	S439 H440 G1066 Y1068	S439-S1082 CarbonylContact C-O 3.56Å; S439-S1082 VanDerWaalsContact CA-O 3.26Å; S439-S1082 WeakPolarHBondContact CA-O 3.43Å; S439-S1082 WeakPolarHBondContact CB-O 3.31Å; H440-S1082 WeakPolarHBondContact CB-OG 3.38Å; H440-S1082 PolarHBondContact N-O 2.92Å; H440-S1082 PolarHBondContact N-OG 2.92Å; H440-S1082 VanDerWaalsContact N-OG 3.07Å; H440-S1082 PolarHBondContact O-N 3.35Å; H440-S1082 PolarHBondContact O-OG 2.93Å; G1066-S1082 CarbonylContact O-C 3.56Å; G1066-S1082 VanDerWaalsContact O-CA 3.3Å; G1066-S1082 WeakPolarHBondContact O-CA 3.35Å; Y1068-S1082 VanDerWaalsContact CE2-CB 3.48Å; Y1068-S1082 WeakPolarHBondContact CE2-OG 3.44Å; Y1068-S1082 PolarHBondContact OH-OG 3.18Å
1083	V	91.8	Very high	86	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	133.9	178.9	-62.5	0	0	0	0	110.5	M430 S439 V1065 G1066 V1067 Y1068 E1085 H1088 I1089 L1092	M430-V1083 HydrophobicContact CE-CG1 4.14Å; S439-V1083 WeakPolarHBondContact OG-CA 3.48Å; V1065-V1083 HydrophobicContact CG1-CB 4.47Å; V1065-V1083 HydrophobicContact CG1-CG1 4.01Å; V1065-V1083 HydrophobicContact CG1-CG2 3.66Å; G1066-V1083 PolarHBondContact O-N 3.05Å; V1067-V1083 CarbonylContact C-O 3.55Å; V1067-V1083 VanDerWaalsContact CA-O 3.28Å; V1067-V1083 WeakPolarHBondContact CA-O 3.36Å; V1067-V1083 HydrophobicContact CG2-CG2 3.96Å; Y1068-V1083 WeakPolarHBondContact CD2-O 3.5Å; Y1068-V1083 PolarHBondContact N-O 3.2Å; V1083-E1085 VanDerWaalsContact C-N 3.32Å; V1083-E1085 PolarHBondContact O-N 3.02Å; V1083-H1088 HydrophobicContact CB-CB 4.44Å; V1083-I1089 HydrophobicContact CG2-CD1 4.49Å; V1083-I1089 HydrophobicContact CG2-CG1 4.06Å; V1083-L1092 HydrophobicContact CG1-CD2 3.9Å
1084	T	88.5	Confident	87.3	Confident	4 Å²	4	23.6 Å²	23.6	3%	0.025	10%	0.103	C	C	.	.	S	Bend	trans	-65.3	-33.2	-175.6	45.6	0	0	0	0	113.9	M430 N432 I437 S439 Y1068 H1088	M430-T1084 PolarHBondContact O-OG1 2.71Å; N432-T1084 HydrophobicContact CB-CG2 4.07Å; I437-T1084 HydrophobicContact CB-CG2 3.92Å; I437-T1084 HydrophobicContact CG2-CG2 3.73Å; I437-T1084 WeakPolarHBondContact O-CG2 3.47Å; S439-T1084 PolarHBondContact OG-N 2.86Å; Y1068-T1084 HydrophobicContact CD2-CG2 4.18Å; Y1068-T1084 HydrophobicContact CE2-CG2 4.47Å; T1084-H1088 PolarHBondContact OG1-CE1 3.07Å; T1084-H1088 PolarHBondContact OG1-ND1 2.95Å
1085	E	88.9	Confident	88.6	Confident	23 Å²	23	22.5 Å²	22.5	11%	0.107	10%	0.098	C	C	.	.	S	Bend	trans	-148.2	152.6	-178.9	-62	174.4	126	0	0	109.4	P799 V1083 R1087 H1088	P799-E1085 WeakPolarHBondContact CG-OE1 3.43Å; V1083-E1085 VanDerWaalsContact C-N 3.32Å; V1083-E1085 PolarHBondContact O-N 3.02Å; E1085-R1087 HydrophobicContact CB-CG 4.07Å; E1085-R1087 PolarHBondContact O-N 3.47Å; E1085-R1087 VanDerWaalsContact O-N 3.15Å; E1085-R1087 IonicContact OE1-NH2 3.43Å; E1085-R1087 IonicContact OE2-CZ 3.46Å; E1085-R1087 IonicContact OE2-NE 3.93Å; E1085-R1087 PolarHBondContact OE2-NE 3.15Å; E1085-R1087 IonicContact OE2-NH2 3.66Å; E1085-R1087 PolarHBondContact OE2-NH2 2.95Å; E1085-H1088 WeakPolarHBondContact O-CB 3.23Å; E1085-H1088 PolarHBondContact O-N 3.41Å; E1085-H1088 IonicContact OE2-CE1 3.76Å; E1085-H1088 PolarHBondContact OE2-CE1 3.01Å; E1085-H1088 IonicContact OE2-NE2 3.61Å
1086	F	91.7	Very high	89.7	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-32.1	-179.3	-169.3	-85.5	0	0	0	113	C458 T463 L464 V801 C804 I805 V1048 H1088 I1089	C458-F1086 HydrophobicContact CB-CE2 4.48Å; T463-F1086 HydrophobicContact CG2-CD2 3.88Å; T463-F1086 HydrophobicContact CG2-CE2 4.14Å; T463-F1086 WeakPolarHBondContact O-CB 3.22Å; L464-F1086 HydrophobicContact CD2-CD1 4.21Å; L464-F1086 HydrophobicContact CD2-CD2 3.86Å; L464-F1086 HydrophobicContact CD2-CE1 3.91Å; L464-F1086 HydrophobicContact CD2-CE2 3.54Å; L464-F1086 HydrophobicContact CD2-CG 4.2Å; L464-F1086 HydrophobicContact CD2-CZ 3.58Å; V801-F1086 HydrophobicContact CB-CD1 4.35Å; V801-F1086 HydrophobicContact CG1-CD1 4.28Å; V801-F1086 HydrophobicContact CG1-CE1 4.46Å; V801-F1086 HydrophobicContact CG2-CB 3.94Å; V801-F1086 HydrophobicContact CG2-CD1 3.84Å; V801-F1086 HydrophobicContact CG2-CG 4.08Å; C804-F1086 HydrophobicContact CB-CD1 4.21Å; C804-F1086 HydrophobicContact CB-CE1 4.16Å; I805-F1086 HydrophobicContact CD1-CE1 3.76Å; I805-F1086 HydrophobicContact CD1-CZ 3.74Å; I805-F1086 HydrophobicContact CG1-CE1 4.09Å; V1048-F1086 HydrophobicContact CG1-CD2 4.29Å; V1048-F1086 HydrophobicContact CG1-CE2 4.21Å; F1086-H1088 PolarHBondContact O-N 3.47Å; F1086-I1089 HydrophobicContact CD2-CD1 3.61Å; F1086-I1089 HydrophobicContact CE2-CD1 3.7Å; F1086-I1089 HydrophobicContact CG-CD1 4.03Å; F1086-I1089 HydrophobicContact CZ-CD1 4.21Å; F1086-I1089 VanDerWaalsContact O-CB 3.28Å; F1086-I1089 WeakPolarHBondContact O-CB 3.34Å; F1086-I1089 WeakPolarHBondContact O-CG1 3.43Å; F1086-I1089 PolarHBondContact O-N 2.93Å; F1086-I1089 VanDerWaalsContact O-N 3.14Å
1087	R	91.9	Very high	90.4	Very high	94 Å²	94	22.9 Å²	22.9	36%	0.355	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-30.8	177.8	60.4	171	176.9	178.2	-7.4	113.4	P799 E1085 I1089 K1090	P799-R1087 WeakPolarHBondContact O-CB 3.44Å; E1085-R1087 HydrophobicContact CB-CG 4.07Å; E1085-R1087 PolarHBondContact O-N 3.47Å; E1085-R1087 VanDerWaalsContact O-N 3.15Å; E1085-R1087 IonicContact OE1-NH2 3.43Å; E1085-R1087 IonicContact OE2-CZ 3.46Å; E1085-R1087 IonicContact OE2-NE 3.93Å; E1085-R1087 PolarHBondContact OE2-NE 3.15Å; E1085-R1087 IonicContact OE2-NH2 3.66Å; E1085-R1087 PolarHBondContact OE2-NH2 2.95Å; R1087-I1089 PolarHBondContact O-N 3.4Å; R1087-K1090 WeakPolarHBondContact O-CB 3.25Å; R1087-K1090 PolarHBondContact O-N 3.27Å; R1087-K1090 VanDerWaalsContact O-N 3.09Å
1088	H	93.6	Very high	91.4	Very high	14 Å²	14	13.9 Å²	13.9	7%	0.065	7%	0.065	C	C	.	.	H	α-helix	trans	-68.3	-17.9	-179	-58.2	135.9	0	0	0	112.7	H429 M430 V1083 T1084 E1085 F1086 K1090 R1091 L1092	H429-H1088 PolarHBondContact O-CD2 3.25Å; H429-H1088 VanDerWaalsContact O-CD2 3.31Å; M430-H1088 HydrophobicContact CE-CB 4.35Å; M430-H1088 HydrophobicContact CG-CB 4.2Å; V1083-H1088 HydrophobicContact CB-CB 4.44Å; T1084-H1088 PolarHBondContact OG1-CE1 3.07Å; T1084-H1088 PolarHBondContact OG1-ND1 2.95Å; E1085-H1088 WeakPolarHBondContact O-CB 3.23Å; E1085-H1088 PolarHBondContact O-N 3.41Å; E1085-H1088 IonicContact OE2-CE1 3.76Å; E1085-H1088 PolarHBondContact OE2-CE1 3.01Å; E1085-H1088 IonicContact OE2-NE2 3.61Å; F1086-H1088 PolarHBondContact O-N 3.47Å; H1088-K1090 PolarHBondContact O-N 2.9Å; H1088-R1091 WeakPolarHBondContact O-CB 3.48Å; H1088-R1091 PolarHBondContact O-N 3.05Å; H1088-L1092 PolarHBondContact O-N 3Å
1089	I	94.3	Very high	92.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-60.1	-33.1	171.4	-58.9	173.2	0	0	0	111.4	L808 V1048 V1065 V1083 F1086 R1087 R1091 L1092 F1093	L808-I1089 HydrophobicContact CD1-CG2 4.27Å; V1048-I1089 HydrophobicContact CB-CD1 4.47Å; V1048-I1089 HydrophobicContact CG1-CD1 3.68Å; V1048-I1089 HydrophobicContact CG2-CD1 3.93Å; V1065-I1089 HydrophobicContact CG1-CG1 4.46Å; V1083-I1089 HydrophobicContact CG2-CD1 4.49Å; V1083-I1089 HydrophobicContact CG2-CG1 4.06Å; F1086-I1089 HydrophobicContact CD2-CD1 3.61Å; F1086-I1089 HydrophobicContact CE2-CD1 3.7Å; F1086-I1089 HydrophobicContact CG-CD1 4.03Å; F1086-I1089 HydrophobicContact CZ-CD1 4.21Å; F1086-I1089 VanDerWaalsContact O-CB 3.28Å; F1086-I1089 WeakPolarHBondContact O-CB 3.34Å; F1086-I1089 WeakPolarHBondContact O-CG1 3.43Å; F1086-I1089 PolarHBondContact O-N 2.93Å; F1086-I1089 VanDerWaalsContact O-N 3.14Å; R1087-I1089 PolarHBondContact O-N 3.4Å; I1089-R1091 VanDerWaalsContact C-N 3.26Å; I1089-R1091 PolarHBondContact O-N 3.31Å; I1089-L1092 PolarHBondContact O-N 3.37Å; I1089-F1093 HydrophobicContact CG2-CD1 4.29Å; I1089-F1093 HydrophobicContact CG2-CD2 3.68Å; I1089-F1093 HydrophobicContact CG2-CE1 4.08Å; I1089-F1093 HydrophobicContact CG2-CE2 3.43Å; I1089-F1093 VanDerWaalsContact CG2-CE2 3.43Å; I1089-F1093 HydrophobicContact CG2-CG 4.1Å; I1089-F1093 HydrophobicContact CG2-CZ 3.65Å; I1089-F1093 PolarHBondContact O-N 3.49Å
1090	K	94.7	Very high	92.8	Very high	55 Å²	55	13.5 Å²	13.5	24%	0.239	6%	0.057	C	C	.	.	H	α-helix	trans	-56.5	-44.9	173.5	-175.5	-171.5	171.6	-172.9	0	110.4	C804 A807 R1087 H1088 L1094 L1170	C804-K1090 HydrophobicContact CB-CB 4.48Å; A807-K1090 HydrophobicContact CB-CD 4.18Å; A807-K1090 HydrophobicContact CB-CG 4.22Å; R1087-K1090 WeakPolarHBondContact O-CB 3.25Å; R1087-K1090 PolarHBondContact O-N 3.27Å; R1087-K1090 VanDerWaalsContact O-N 3.09Å; H1088-K1090 PolarHBondContact O-N 2.9Å; K1090-L1094 HydrophobicContact CG-CD1 3.8Å; K1090-L1094 WeakPolarHBondContact O-CB 3.37Å; K1090-L1094 VanDerWaalsContact O-CG 3.29Å; K1090-L1094 WeakPolarHBondContact O-CG 3.09Å; K1090-L1094 PolarHBondContact O-N 3.48Å; K1090-L1094 VanDerWaalsContact O-N 3.12Å; K1090-L1170 WeakPolarHBondContact CE-O 3.47Å; K1090-L1170 HydrophobicContact CG-CD2 4.4Å; K1090-L1170 PolarHBondContact NZ-O 3.21Å
1091	R	94.9	Very high	93	Very high	26 Å²	26	13 Å²	13	10%	0.098	5%	0.054	C	C	.	.	H	α-helix	trans	-74.7	-47.1	-178.7	-168.6	171.3	178.2	90.7	8.8	111.2	D427 M430 H1088 I1089 F1093 L1095 H1096 E1166	D427-R1091 VanDerWaalsContact CG-NE 3.34Å; D427-R1091 IonicContact OD1-CZ 3.19Å; D427-R1091 IonicContact OD1-NE 3.89Å; D427-R1091 PolarHBondContact OD1-NE 2.98Å; D427-R1091 IonicContact OD1-NH2 2.67Å; D427-R1091 PolarHBondContact OD1-NH2 3.28Å; D427-R1091 IonicContact OD2-CZ 3.74Å; D427-R1091 IonicContact OD2-NE 3.7Å; D427-R1091 PolarHBondContact OD2-NE 3.06Å; D427-R1091 IonicContact OD2-NH2 2.88Å; D427-R1091 PolarHBondContact OD2-NH2 3.19Å; M430-R1091 HydrophobicContact CG-CG 4.46Å; M430-R1091 HydrophobicContact SD-CB 4.35Å; M430-R1091 HydrophobicContact SD-CG 4.26Å; H1088-R1091 WeakPolarHBondContact O-CB 3.48Å; H1088-R1091 PolarHBondContact O-N 3.05Å; I1089-R1091 VanDerWaalsContact C-N 3.26Å; I1089-R1091 PolarHBondContact O-N 3.31Å; R1091-F1093 PolarHBondContact O-N 3.48Å; R1091-L1095 HydrophobicContact CG-CB 4.35Å; R1091-L1095 HydrophobicContact CG-CD2 3.99Å; R1091-L1095 VanDerWaalsContact O-CB 3.24Å; R1091-L1095 WeakPolarHBondContact O-CB 3.2Å; R1091-L1095 PolarHBondContact O-N 2.8Å; R1091-H1096 PolarHBondContact O-N 3.26Å; R1091-E1166 IonicContact CZ-OE1 3.18Å; R1091-E1166 IonicContact CZ-OE2 3.21Å; R1091-E1166 VanDerWaalsContact NH1-CD 3.28Å; R1091-E1166 IonicContact NH1-OE1 2.68Å; R1091-E1166 PolarHBondContact NH1-OE1 3.4Å; R1091-E1166 IonicContact NH1-OE2 3.21Å; R1091-E1166 IonicContact NH2-OE1 3.55Å; R1091-E1166 PolarHBondContact NH2-OE1 3.26Å; R1091-E1166 IonicContact NH2-OE2 2.69Å; R1091-E1166 PolarHBondContact NH2-OE2 3.31Å
1092	L	95.5	Very high	93	Very high	1 Å²	1	14 Å²	14	1%	0.005	6%	0.058	C	C	.	.	I	π-helix	trans	-55.1	-46.3	178.5	-176.2	62.4	0	0	0	112.5	I424 M430 L450 V1065 Y1081 V1083 H1088 I1089 H1096 G1097	I424-L1092 HydrophobicContact CD1-CD1 4.46Å; I424-L1092 HydrophobicContact CG2-CD1 3.78Å; M430-L1092 HydrophobicContact CE-CB 4.19Å; M430-L1092 HydrophobicContact CE-CD1 4.33Å; L450-L1092 HydrophobicContact CD1-CD1 3.72Å; L450-L1092 HydrophobicContact CD1-CG 4.16Å; L450-L1092 HydrophobicContact CD2-CD2 4.37Å; L450-L1092 HydrophobicContact CD2-CG 4.17Å; V1065-L1092 HydrophobicContact CG2-CD2 4.43Å; Y1081-L1092 HydrophobicContact CD1-CD1 4.31Å; Y1081-L1092 HydrophobicContact CG-CD2 4.3Å; V1083-L1092 HydrophobicContact CG1-CD2 3.9Å; H1088-L1092 PolarHBondContact O-N 3Å; I1089-L1092 PolarHBondContact O-N 3.37Å; L1092-H1096 WeakPolarHBondContact O-CB 3.25Å; L1092-G1097 PolarHBondContact O-N 3.42Å
1093	F	94.9	Very high	93.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	6%	0.061	C	C	.	.	I	π-helix	trans	-82.5	-51.3	-177.7	-64.2	-3.4	0	0	0	112.4	L450 I453 L456 L808 I813 A1046 V1065 I1089 R1091 G1097 H1098 Y1176	L450-F1093 HydrophobicContact CD2-CD1 3.88Å; L450-F1093 HydrophobicContact CD2-CE1 3.81Å; I453-F1093 HydrophobicContact CD1-CD1 3.54Å; I453-F1093 HydrophobicContact CD1-CD2 3.71Å; I453-F1093 HydrophobicContact CD1-CE1 3.44Å; I453-F1093 VanDerWaalsContact CD1-CE1 3.44Å; I453-F1093 HydrophobicContact CD1-CE2 3.62Å; I453-F1093 HydrophobicContact CD1-CG 3.7Å; I453-F1093 HydrophobicContact CD1-CZ 3.49Å; I453-F1093 VanDerWaalsContact CD1-CZ 3.49Å; L456-F1093 HydrophobicContact CD1-CE2 3.76Å; L456-F1093 HydrophobicContact CD1-CZ 4.08Å; L456-F1093 HydrophobicContact CD2-CE2 4.24Å; L808-F1093 HydrophobicContact CD2-CB 4.4Å; L808-F1093 HydrophobicContact CD2-CD2 3.86Å; I813-F1093 HydrophobicContact CD1-CD2 4.3Å; A1046-F1093 HydrophobicContact CB-CE2 4.45Å; A1046-F1093 HydrophobicContact CB-CZ 4.03Å; V1065-F1093 HydrophobicContact CG2-CE1 4.15Å; V1065-F1093 HydrophobicContact CG2-CZ 4.21Å; I1089-F1093 HydrophobicContact CG2-CD1 4.29Å; I1089-F1093 HydrophobicContact CG2-CD2 3.68Å; I1089-F1093 HydrophobicContact CG2-CE1 4.08Å; I1089-F1093 HydrophobicContact CG2-CE2 3.43Å; I1089-F1093 VanDerWaalsContact CG2-CE2 3.43Å; I1089-F1093 HydrophobicContact CG2-CG 4.1Å; I1089-F1093 HydrophobicContact CG2-CZ 3.65Å; I1089-F1093 PolarHBondContact O-N 3.49Å; R1091-F1093 PolarHBondContact O-N 3.48Å; F1093-G1097 WeakPolarHBondContact O-CA 3.36Å; F1093-G1097 PolarHBondContact O-N 2.97Å; F1093-H1098 PolarHBondContact O-N 3.04Å; F1093-Y1176 VanDerWaalsContact O-CE2 3.31Å; F1093-Y1176 WeakPolarHBondContact O-CE2 3.33Å
1094	L	93.9	Very high	93.2	Very high	3 Å²	3	14.6 Å²	14.6	2%	0.016	6%	0.06	C	C	.	.	I	π-helix	trans	-79	-26.2	-170.1	-54.4	179.9	0	0	0	114	A807 A811 K1090 H1098 P1173 Y1176	A807-L1094 HydrophobicContact CB-CD1 4.15Å; A811-L1094 HydrophobicContact CB-CD2 3.62Å; K1090-L1094 HydrophobicContact CG-CD1 3.8Å; K1090-L1094 WeakPolarHBondContact O-CB 3.37Å; K1090-L1094 VanDerWaalsContact O-CG 3.29Å; K1090-L1094 WeakPolarHBondContact O-CG 3.09Å; K1090-L1094 PolarHBondContact O-N 3.48Å; K1090-L1094 VanDerWaalsContact O-N 3.12Å; L1094-H1098 WeakPolarHBondContact O-CB 3.16Å; L1094-P1173 HydrophobicContact CD1-CB 3.83Å; L1094-P1173 HydrophobicContact CD1-CG 4.16Å; L1094-Y1176 HydrophobicContact CD2-CD2 3.97Å; L1094-Y1176 HydrophobicContact CD2-CG 4.03Å
1095	L	94.6	Very high	93.3	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	6%	0.059	C	C	.	.	I	π-helix	trans	-99.8	-69.8	177.5	-176.2	68.2	0	0	0	110.5	R1091 G1097 H1098 W1099 E1166 L1169 L1170	R1091-L1095 HydrophobicContact CG-CB 4.35Å; R1091-L1095 HydrophobicContact CG-CD2 3.99Å; R1091-L1095 VanDerWaalsContact O-CB 3.24Å; R1091-L1095 WeakPolarHBondContact O-CB 3.2Å; R1091-L1095 PolarHBondContact O-N 2.8Å; L1095-G1097 PolarHBondContact O-N 3.43Å; L1095-H1098 PolarHBondContact O-N 3.24Å; L1095-W1099 HydrophobicContact CD1-CD2 4Å; L1095-W1099 HydrophobicContact CD1-CE3 4.11Å; L1095-W1099 HydrophobicContact CD1-CH2 3.73Å; L1095-W1099 HydrophobicContact CD1-CZ2 3.6Å; L1095-W1099 HydrophobicContact CD1-CZ3 3.98Å; L1095-W1099 HydrophobicContact CD2-CZ3 4.43Å; L1095-W1099 HydrophobicContact CG-CD2 4.44Å; L1095-W1099 HydrophobicContact CG-CE3 4.2Å; L1095-W1099 HydrophobicContact CG-CH2 4.38Å; L1095-W1099 HydrophobicContact CG-CZ3 4.16Å; L1095-W1099 PolarHBondContact O-N 3.38Å; L1095-E1166 HydrophobicContact CD1-CB 3.83Å; L1095-E1166 HydrophobicContact CD1-CG 3.76Å; L1095-E1166 HydrophobicContact CD2-CG 3.74Å; L1095-E1166 HydrophobicContact CG-CG 4.39Å; L1095-L1169 HydrophobicContact CD1-CB 4.49Å; L1095-L1169 HydrophobicContact CD1-CD1 3.88Å; L1095-L1170 HydrophobicContact CB-CD2 4.46Å
1096	H	94.8	Very high	93.5	Very high	17 Å²	17	13.4 Å²	13.4	8%	0.079	5%	0.054	C	C	.	.	I	π-helix	trans	-64.7	-44.5	-173.2	-73.8	-63.9	0	0	0	112.5	I424 D427 R1091 L1092 H1098 S1100	I424-H1096 HydrophobicContact CD1-CB 4.2Å; I424-H1096 HydrophobicContact CG1-CB 3.86Å; D427-H1096 IonicContact OD2-CD2 2.66Å; D427-H1096 IonicContact OD2-CE1 3.24Å; D427-H1096 IonicContact OD2-NE2 2.6Å; D427-H1096 PolarHBondContact OD2-NE2 3.01Å; R1091-H1096 PolarHBondContact O-N 3.26Å; L1092-H1096 WeakPolarHBondContact O-CB 3.25Å; H1096-H1098 VanDerWaalsContact C-N 3.33Å; H1096-H1098 PolarHBondContact O-N 3.07Å; H1096-S1100 WeakPolarHBondContact O-CB 3.36Å; H1096-S1100 PolarHBondContact O-N 2.85Å; H1096-S1100 PolarHBondContact O-OG 2.88Å
1097	G	93	Very high	93.5	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	5%	0.054	C	C	.	.	I	π-helix	trans	-61.4	-40.1	174.1	0	0	0	0	0	113.1	L450 G451 L1092 F1093 L1095 Y1101	L450-G1097 VanDerWaalsContact CB-CA 3.48Å; G451-G1097 VanDerWaalsContact CA-O 3.23Å; G451-G1097 WeakPolarHBondContact CA-O 3.41Å; G451-G1097 PolarHBondContact N-O 3.4Å; L1092-G1097 PolarHBondContact O-N 3.42Å; F1093-G1097 WeakPolarHBondContact O-CA 3.36Å; F1093-G1097 PolarHBondContact O-N 2.97Å; L1095-G1097 PolarHBondContact O-N 3.43Å; G1097-Y1101 WeakPolarHBondContact O-CB 3.48Å; G1097-Y1101 PolarHBondContact O-N 3.19Å
1098	H	93.7	Very high	93.4	Very high	4 Å²	4	8.9 Å²	8.9	2%	0.019	4%	0.037	C	C	.	.	H	α-helix	trans	-66.6	-48.8	179.4	-164.2	-86	0	0	0	112.5	F1093 L1094 L1095 H1096 Y1102 H1163 L1169 I1179	F1093-H1098 PolarHBondContact O-N 3.04Å; L1094-H1098 WeakPolarHBondContact O-CB 3.16Å; L1095-H1098 PolarHBondContact O-N 3.24Å; H1096-H1098 VanDerWaalsContact C-N 3.33Å; H1096-H1098 PolarHBondContact O-N 3.07Å; H1098-Y1102 VanDerWaalsContact O-CB 3.31Å; H1098-Y1102 WeakPolarHBondContact O-CB 3.24Å; H1098-Y1102 PolarHBondContact O-N 2.96Å; H1098-Y1102 VanDerWaalsContact O-N 3.14Å; H1098-H1163 AromaticContact CE1-CE1 3.76Å; H1098-H1163 AromaticContact CE1-NE2 3.16Å; H1098-H1163 PolarHBondContact CE1-NE2 3.01Å; H1098-H1163 AromaticContact ND1-CE1 3.46Å; H1098-H1163 PolarHBondContact ND1-CE1 3.28Å; H1098-H1163 AromaticContact ND1-NE2 3.34Å; H1098-H1163 PolarHBondContact ND1-NE2 3.01Å; H1098-L1169 HydrophobicContact CB-CD1 4.49Å; H1098-I1179 HydrophobicContact CB-CD1 4.13Å; H1098-I1179 WeakPolarHBondContact CD2-CD1 3.37Å
1099	W	93.7	Very high	93.4	Very high	24 Å²	24	8.2 Å²	8.2	9%	0.091	3%	0.034	C	C	.	.	H	α-helix	trans	-65.4	-45.9	176.2	-74.1	-10.1	0	0	0	112	L1095 Y1102 R1103 R1162 H1163 I1164 E1166 L1169	L1095-W1099 HydrophobicContact CD1-CD2 4Å; L1095-W1099 HydrophobicContact CD1-CE3 4.11Å; L1095-W1099 HydrophobicContact CD1-CH2 3.73Å; L1095-W1099 HydrophobicContact CD1-CZ2 3.6Å; L1095-W1099 HydrophobicContact CD1-CZ3 3.98Å; L1095-W1099 HydrophobicContact CD2-CZ3 4.43Å; L1095-W1099 HydrophobicContact CG-CD2 4.44Å; L1095-W1099 HydrophobicContact CG-CE3 4.2Å; L1095-W1099 HydrophobicContact CG-CH2 4.38Å; L1095-W1099 HydrophobicContact CG-CZ3 4.16Å; L1095-W1099 PolarHBondContact O-N 3.38Å; W1099-Y1102 PolarHBondContact O-N 3.49Å; W1099-R1103 VanDerWaalsContact O-CB 3.24Å; W1099-R1103 WeakPolarHBondContact O-CB 3.38Å; W1099-R1103 WeakPolarHBondContact O-CD 3.35Å; W1099-R1103 WeakPolarHBondContact O-CG 3.19Å; W1099-R1103 PolarHBondContact O-N 3.09Å; W1099-R1162 HydrophobicContact CH2-CG 4.21Å; W1099-R1162 HydrophobicContact CZ2-CB 4.29Å; W1099-R1162 HydrophobicContact CZ2-CG 4.06Å; W1099-H1163 AromaticContact CD1-CE1 3.9Å; W1099-I1164 PolarHBondContact NE1-O 3.17Å; W1099-E1166 HydrophobicContact CH2-CB 4.15Å; W1099-E1166 HydrophobicContact CZ2-CB 4.22Å; W1099-L1169 VanDerWaalsContact NE1-CD1 3.34Å
1100	S	93.3	Very high	93.2	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.007	4%	0.036	C	C	.	.	H	α-helix	trans	-61.7	-47.8	-177.9	-62	0	0	0	0	112.3	A447 H1096 I1104	A447-S1100 WeakPolarHBondContact O-CB 3.4Å; H1096-S1100 WeakPolarHBondContact O-CB 3.36Å; H1096-S1100 PolarHBondContact O-N 2.85Å; H1096-S1100 PolarHBondContact O-OG 2.88Å; S1100-I1104 WeakPolarHBondContact O-CB 3.34Å; S1100-I1104 WeakPolarHBondContact O-CG1 3.24Å; S1100-I1104 PolarHBondContact O-N 2.81Å
1101	Y	93	Very high	93.1	Very high	1 Å²	1	6 Å²	6	0%	0.004	2%	0.024	C	C	.	.	H	α-helix	trans	-61.8	-46.9	175.7	174.6	-91.3	0	0	0	111.7	Q452 G1097 T1105 I1179 Q1182 A1183 N1184	Q452-Y1101 HydrophobicContact CG-CD2 3.69Å; Q452-Y1101 HydrophobicContact CG-CE2 3.83Å; Q452-Y1101 HydrophobicContact CG-CG 4.46Å; Q452-Y1101 VanDerWaalsContact NE2-CD2 3.27Å; G1097-Y1101 WeakPolarHBondContact O-CB 3.48Å; G1097-Y1101 PolarHBondContact O-N 3.19Å; Y1101-T1105 HydrophobicContact CD1-CG2 4.46Å; Y1101-T1105 HydrophobicContact CD2-CG2 3.92Å; Y1101-T1105 HydrophobicContact CE1-CG2 3.99Å; Y1101-T1105 HydrophobicContact CE2-CG2 3.39Å; Y1101-T1105 HydrophobicContact CG-CG2 4.41Å; Y1101-T1105 VanDerWaalsContact CZ-CG2 3.4Å; Y1101-T1105 WeakPolarHBondContact O-CB 3.47Å; Y1101-T1105 VanDerWaalsContact O-CG2 3.3Å; Y1101-T1105 WeakPolarHBondContact O-CG2 3.39Å; Y1101-T1105 PolarHBondContact O-N 2.67Å; Y1101-T1105 PolarHBondContact O-OG1 3.34Å; Y1101-I1179 HydrophobicContact CD1-CB 3.82Å; Y1101-I1179 HydrophobicContact CD1-CD1 3.95Å; Y1101-I1179 HydrophobicContact CD1-CG1 4.42Å; Y1101-I1179 HydrophobicContact CD1-CG2 4.34Å; Y1101-I1179 HydrophobicContact CE1-CB 3.99Å; Y1101-I1179 HydrophobicContact CG-CD1 4.39Å; Y1101-Q1182 WeakPolarHBondContact OH-CA 3.26Å; Y1101-A1183 PolarHBondContact OH-N 3.27Å; Y1101-N1184 HydrophobicContact CE1-CB 4.33Å
1102	Y	92.6	Very high	92.9	Very high	22 Å²	22	4.9 Å²	4.9	9%	0.086	2%	0.02	C	C	.	.	H	α-helix	trans	-61.1	-50.6	-179.7	-174.2	-90.7	0	0	0	111.5	H1098 W1099 I1104 T1105 I1106 Y1157 E1161 H1163	H1098-Y1102 VanDerWaalsContact O-CB 3.31Å; H1098-Y1102 WeakPolarHBondContact O-CB 3.24Å; H1098-Y1102 PolarHBondContact O-N 2.96Å; H1098-Y1102 VanDerWaalsContact O-N 3.14Å; W1099-Y1102 PolarHBondContact O-N 3.49Å; Y1102-I1104 PolarHBondContact O-N 3.35Å; Y1102-T1105 PolarHBondContact O-N 3.12Å; Y1102-T1105 PolarHBondContact O-OG1 3.03Å; Y1102-I1106 HydrophobicContact CD1-CG1 4.15Å; Y1102-I1106 HydrophobicContact CD2-CG1 4.38Å; Y1102-I1106 HydrophobicContact CE1-CG1 3.86Å; Y1102-I1106 HydrophobicContact CE2-CD1 4.35Å; Y1102-I1106 HydrophobicContact CE2-CG1 4.07Å; Y1102-I1106 HydrophobicContact CG-CG1 4.41Å; Y1102-I1106 WeakPolarHBondContact O-CG1 3.35Å; Y1102-I1106 PolarHBondContact O-N 3.27Å; Y1102-Y1157 WeakPolarHBondContact CE1-OH 3.4Å; Y1102-E1161 HydrophobicContact CE1-CG 4.24Å; Y1102-H1163 VanDerWaalsContact CB-CE1 3.46Å; Y1102-H1163 WeakPolarHBondContact CB-CE1 3.4Å; Y1102-H1163 HydrophobicContact CD1-CB 4.08Å; Y1102-H1163 AromaticContact CD1-CE1 3.66Å; Y1102-H1163 AromaticContact CD1-CG 3.58Å; Y1102-H1163 AromaticContact CD1-ND1 3.23Å; Y1102-H1163 WeakPolarHBondContact CD1-ND1 3.22Å; Y1102-H1163 AromaticContact CD2-CD2 3.9Å; Y1102-H1163 AromaticContact CD2-CE1 3.83Å; Y1102-H1163 AromaticContact CD2-NE2 3.73Å; Y1102-H1163 HydrophobicContact CE1-CB 3.55Å; Y1102-H1163 AromaticContact CE1-CG 3.51Å; Y1102-H1163 AromaticContact CE1-ND1 3.68Å; Y1102-H1163 AromaticContact CE2-CD2 3.9Å; Y1102-H1163 AromaticContact CG-CE1 3.36Å; Y1102-H1163 AromaticContact CG-CG 3.89Å; Y1102-H1163 AromaticContact CG-ND1 3.47Å; Y1102-H1163 AromaticContact CG-NE2 3.76Å; Y1102-H1163 AromaticContact CZ-CG 3.79Å
1103	R	93.1	Very high	92.8	Very high	17 Å²	17	4.9 Å²	4.9	6%	0.064	2%	0.02	C	C	.	.	H	α-helix	trans	-55.5	-53.4	178.9	-76.2	168.8	-178.3	177.6	-0.3	112	Q416 W1099 T1105 T1107 G1158 M1159 E1161	Q416-R1103 VanDerWaalsContact NE2-C 3.33Å; Q416-R1103 PolarHBondContact NE2-O 3.29Å; W1099-R1103 VanDerWaalsContact O-CB 3.24Å; W1099-R1103 WeakPolarHBondContact O-CB 3.38Å; W1099-R1103 WeakPolarHBondContact O-CD 3.35Å; W1099-R1103 WeakPolarHBondContact O-CG 3.19Å; W1099-R1103 PolarHBondContact O-N 3.09Å; R1103-T1105 PolarHBondContact O-N 3.36Å; R1103-T1107 WeakPolarHBondContact O-CB 3.41Å; R1103-T1107 PolarHBondContact O-N 3.26Å; R1103-T1107 PolarHBondContact O-OG1 3.15Å; R1103-G1158 WeakPolarHBondContact CB-O 3.28Å; R1103-G1158 WeakPolarHBondContact CD-O 3.38Å; R1103-M1159 PolarHBondContact NH1-O 3.46Å; R1103-E1161 HydrophobicContact CG-CB 4.47Å; R1103-E1161 VanDerWaalsContact CZ-O 3.28Å; R1103-E1161 PolarHBondContact NE-O 3Å; R1103-E1161 PolarHBondContact NH2-O 3.33Å
1104	I	92	Very high	92.6	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-64.6	-43.7	-177.6	-70	164.6	0	0	0	110.9	I413 Q416 Q417 L420 D448 S1100 Y1102 T1107 M1108	I413-I1104 HydrophobicContact CG2-CG2 4.03Å; Q416-I1104 VanDerWaalsContact CD-CG1 3.49Å; Q416-I1104 HydrophobicContact CG-CG1 4.1Å; Q417-I1104 HydrophobicContact CG-CD1 3.77Å; L420-I1104 HydrophobicContact CD1-CD1 3.72Å; L420-I1104 HydrophobicContact CD1-CG1 4.05Å; D448-I1104 HydrophobicContact CB-CD1 3.81Å; S1100-I1104 WeakPolarHBondContact O-CB 3.34Å; S1100-I1104 WeakPolarHBondContact O-CG1 3.24Å; S1100-I1104 PolarHBondContact O-N 2.81Å; Y1102-I1104 PolarHBondContact O-N 3.35Å; I1104-T1107 PolarHBondContact O-N 3.18Å; I1104-M1108 HydrophobicContact CG2-SD 4.29Å; I1104-M1108 WeakPolarHBondContact O-CG 3.46Å; I1104-M1108 PolarHBondContact O-N 2.93Å
1105	T	91.9	Very high	92.5	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-70.9	-36.1	-176.1	56	0	0	0	0	114	Y1101 Y1102 R1103 L1109 N1184 L1185	Y1101-T1105 HydrophobicContact CD1-CG2 4.46Å; Y1101-T1105 HydrophobicContact CD2-CG2 3.92Å; Y1101-T1105 HydrophobicContact CE1-CG2 3.99Å; Y1101-T1105 HydrophobicContact CE2-CG2 3.39Å; Y1101-T1105 HydrophobicContact CG-CG2 4.41Å; Y1101-T1105 VanDerWaalsContact CZ-CG2 3.4Å; Y1101-T1105 WeakPolarHBondContact O-CB 3.47Å; Y1101-T1105 VanDerWaalsContact O-CG2 3.3Å; Y1101-T1105 WeakPolarHBondContact O-CG2 3.39Å; Y1101-T1105 PolarHBondContact O-N 2.67Å; Y1101-T1105 PolarHBondContact O-OG1 3.34Å; Y1102-T1105 PolarHBondContact O-N 3.12Å; Y1102-T1105 PolarHBondContact O-OG1 3.03Å; R1103-T1105 PolarHBondContact O-N 3.36Å; T1105-L1109 WeakPolarHBondContact O-CG 3.23Å; T1105-L1109 PolarHBondContact O-N 3.13Å; T1105-N1184 WeakPolarHBondContact OG1-CB 3.43Å; T1105-N1184 PolarHBondContact OG1-ND2 3.18Å; T1105-L1185 HydrophobicContact CG2-CD1 3.51Å; T1105-L1185 HydrophobicContact CG2-CD2 4.46Å; T1105-L1185 HydrophobicContact CG2-CG 3.79Å
1106	I	92.2	Very high	92.4	Very high	1 Å²	1	5.1 Å²	5.1	1%	0.005	2%	0.022	C	C	.	.	H	α-helix	trans	-72	-39.2	173.7	-59.6	-61.5	0	0	0	110.9	Y1102 M1108 L1109 F1110 Y1157	Y1102-I1106 HydrophobicContact CD1-CG1 4.15Å; Y1102-I1106 HydrophobicContact CD2-CG1 4.38Å; Y1102-I1106 HydrophobicContact CE1-CG1 3.86Å; Y1102-I1106 HydrophobicContact CE2-CD1 4.35Å; Y1102-I1106 HydrophobicContact CE2-CG1 4.07Å; Y1102-I1106 HydrophobicContact CG-CG1 4.41Å; Y1102-I1106 WeakPolarHBondContact O-CG1 3.35Å; Y1102-I1106 PolarHBondContact O-N 3.27Å; I1106-M1108 VanDerWaalsContact C-N 3.32Å; I1106-M1108 PolarHBondContact O-N 3.09Å; I1106-L1109 HydrophobicContact CD1-CD1 4.1Å; I1106-L1109 PolarHBondContact O-N 3.22Å; I1106-L1109 VanDerWaalsContact O-N 3.07Å; I1106-F1110 HydrophobicContact CG2-CD2 3.95Å; I1106-F1110 HydrophobicContact CG2-CE2 3.51Å; I1106-F1110 HydrophobicContact CG2-CZ 4.1Å; I1106-F1110 WeakPolarHBondContact O-CD2 3.38Å; I1106-F1110 PolarHBondContact O-N 3.39Å; I1106-Y1157 HydrophobicContact CB-CE1 3.73Å; I1106-Y1157 HydrophobicContact CG2-CD1 4.23Å; I1106-Y1157 HydrophobicContact CG2-CE1 3.39Å
1107	T	91.9	Very high	92.4	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-55.7	-46.1	172.3	-64.5	0	0	0	0	111.2	T412 R1103 I1104 L1109 F1110 F1111 S1154 G1158	T412-T1107 HydrophobicContact CG2-CG2 4.46Å; R1103-T1107 WeakPolarHBondContact O-CB 3.41Å; R1103-T1107 PolarHBondContact O-N 3.26Å; R1103-T1107 PolarHBondContact O-OG1 3.15Å; I1104-T1107 PolarHBondContact O-N 3.18Å; T1107-L1109 VanDerWaalsContact C-N 3.31Å; T1107-L1109 PolarHBondContact O-N 3.27Å; T1107-F1110 PolarHBondContact O-N 3.4Å; T1107-F1111 HydrophobicContact CG2-CD2 3.92Å; T1107-F1111 HydrophobicContact CG2-CE2 3.8Å; T1107-F1111 WeakPolarHBondContact O-CD2 3.39Å; T1107-F1111 PolarHBondContact O-N 2.69Å; T1107-F1111 VanDerWaalsContact O-N 3.09Å; T1107-S1154 PolarHBondContact OG1-O 2.96Å; T1107-G1158 WeakPolarHBondContact OG1-CA 3.46Å
1108	M	90.8	Very high	92.3	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-55.7	-42.5	174.4	-72.6	176.7	76.1	0	0	113.1	R340 S344 I409 I413 I1104 I1106 F1111 Y1112 L1185	R340-M1108 HydrophobicContact CG-SD 4.11Å; S344-M1108 WeakPolarHBondContact OG-CE 3.46Å; I409-M1108 HydrophobicContact CD1-CG 4.44Å; I413-M1108 HydrophobicContact CD1-CE 4.48Å; I413-M1108 HydrophobicContact CD1-CG 3.52Å; I413-M1108 HydrophobicContact CD1-SD 3.99Å; I413-M1108 HydrophobicContact CG1-CG 4.38Å; I1104-M1108 HydrophobicContact CG2-SD 4.29Å; I1104-M1108 WeakPolarHBondContact O-CG 3.46Å; I1104-M1108 PolarHBondContact O-N 2.93Å; I1106-M1108 VanDerWaalsContact C-N 3.32Å; I1106-M1108 PolarHBondContact O-N 3.09Å; M1108-F1111 PolarHBondContact O-N 3.11Å; M1108-Y1112 HydrophobicContact CB-CE2 4.22Å; M1108-Y1112 HydrophobicContact CE-CE2 4.48Å; M1108-Y1112 WeakPolarHBondContact CE-OH 3.42Å; M1108-Y1112 WeakPolarHBondContact O-CD2 3.18Å; M1108-Y1112 PolarHBondContact O-N 3.21Å; M1108-L1185 HydrophobicContact SD-CD1 4.43Å
1109	L	92.1	Very high	92.1	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-67.3	-37.7	179.4	-67.9	164.3	0	0	0	112.5	T1105 I1106 T1107 F1111 Y1112 H1113 Y1189 I1190 W1193	T1105-L1109 WeakPolarHBondContact O-CG 3.23Å; T1105-L1109 PolarHBondContact O-N 3.13Å; I1106-L1109 HydrophobicContact CD1-CD1 4.1Å; I1106-L1109 PolarHBondContact O-N 3.22Å; I1106-L1109 VanDerWaalsContact O-N 3.07Å; T1107-L1109 VanDerWaalsContact C-N 3.31Å; T1107-L1109 PolarHBondContact O-N 3.27Å; L1109-F1111 VanDerWaalsContact C-N 3.34Å; L1109-F1111 PolarHBondContact O-N 3.01Å; L1109-Y1112 PolarHBondContact O-N 3.34Å; L1109-H1113 WeakPolarHBondContact O-CB 3.28Å; L1109-H1113 PolarHBondContact O-N 3.31Å; L1109-Y1189 HydrophobicContact CD1-CD1 3.92Å; L1109-Y1189 HydrophobicContact CD1-CE1 3.56Å; L1109-I1190 HydrophobicContact CD2-CG1 3.95Å; L1109-W1193 HydrophobicContact CB-CD2 3.95Å; L1109-W1193 HydrophobicContact CB-CE3 4.32Å; L1109-W1193 HydrophobicContact CB-CG 4.26Å; L1109-W1193 HydrophobicContact CB-CH2 4.46Å; L1109-W1193 HydrophobicContact CB-CZ2 4.2Å; L1109-W1193 HydrophobicContact CD1-CZ2 4.34Å; L1109-W1193 HydrophobicContact CD2-CB 4.4Å; L1109-W1193 HydrophobicContact CD2-CG 4.09Å
1110	F	91.9	Very high	92.1	Very high	8 Å²	8	4 Å²	4	4%	0.035	2%	0.019	C	C	.	.	H	α-helix	trans	-61.5	-40.9	171	-72.7	-54.4	0	0	0	112.4	I1106 T1107 H1113 K1114 Y1157 W1193 W1259	I1106-F1110 HydrophobicContact CG2-CD2 3.95Å; I1106-F1110 HydrophobicContact CG2-CE2 3.51Å; I1106-F1110 HydrophobicContact CG2-CZ 4.1Å; I1106-F1110 WeakPolarHBondContact O-CD2 3.38Å; I1106-F1110 PolarHBondContact O-N 3.39Å; T1107-F1110 PolarHBondContact O-N 3.4Å; F1110-H1113 PolarHBondContact O-N 3.37Å; F1110-K1114 WeakPolarHBondContact O-CB 3.5Å; F1110-K1114 WeakPolarHBondContact O-CG 3.1Å; F1110-K1114 PolarHBondContact O-N 2.94Å; F1110-Y1157 HydrophobicContact CD2-CD1 4.44Å; F1110-Y1157 AromaticContact CE2-CD1 3.86Å; F1110-Y1157 HydrophobicContact CE2-CD1 3.86Å; F1110-Y1157 AromaticContact CE2-CD2 3.92Å; F1110-Y1157 HydrophobicContact CE2-CD2 3.92Å; F1110-Y1157 HydrophobicContact CE2-CE1 4.03Å; F1110-Y1157 HydrophobicContact CE2-CE2 4.04Å; F1110-Y1157 AromaticContact CE2-CG 3.83Å; F1110-Y1157 HydrophobicContact CE2-CG 3.83Å; F1110-Y1157 HydrophobicContact CZ-CD2 4.43Å; F1110-Y1157 HydrophobicContact CZ-CE2 4.35Å; F1110-W1193 HydrophobicContact CD1-CH2 4.02Å; F1110-W1193 AromaticContact CD1-CZ3 3.77Å; F1110-W1193 HydrophobicContact CD1-CZ3 3.77Å; F1110-W1193 AromaticContact CE1-CH2 3.77Å; F1110-W1193 HydrophobicContact CE1-CH2 3.77Å; F1110-W1193 AromaticContact CE1-CZ3 3.85Å; F1110-W1193 HydrophobicContact CE1-CZ3 3.85Å; F1110-W1193 HydrophobicContact CZ-CH2 4.3Å; F1110-W1259 HydrophobicContact CE1-CB 4.29Å; F1110-W1259 AromaticContact CE1-CD1 3.75Å; F1110-W1259 HydrophobicContact CE1-CG 4.28Å; F1110-W1259 HydrophobicContact CZ-CB 3.67Å; F1110-W1259 AromaticContact CZ-CD1 3.96Å; F1110-W1259 HydrophobicContact CZ-CG 4.02Å
1111	F	91	Very high	92	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-63	-40.1	175.3	-87.9	-86.5	0	0	0	112.5	P406 I409 T412 T1107 M1108 L1109 K1114 A1115	P406-F1111 HydrophobicContact CB-CD1 4Å; P406-F1111 HydrophobicContact CG-CB 4.21Å; P406-F1111 HydrophobicContact CG-CD1 4.14Å; I409-F1111 HydrophobicContact CB-CB 4.4Å; I409-F1111 HydrophobicContact CB-CD1 4.08Å; I409-F1111 HydrophobicContact CB-CG 4.18Å; I409-F1111 HydrophobicContact CD1-CB 3.72Å; I409-F1111 HydrophobicContact CD1-CG 4.3Å; I409-F1111 HydrophobicContact CG1-CB 3.9Å; I409-F1111 HydrophobicContact CG1-CD1 4.32Å; I409-F1111 HydrophobicContact CG1-CD2 4.22Å; I409-F1111 HydrophobicContact CG1-CG 3.9Å; T412-F1111 HydrophobicContact CG2-CE2 3.85Å; T412-F1111 HydrophobicContact CG2-CZ 3.96Å; T412-F1111 VanDerWaalsContact OG1-CZ 3.26Å; T412-F1111 WeakPolarHBondContact OG1-CZ 3.1Å; T1107-F1111 HydrophobicContact CG2-CD2 3.92Å; T1107-F1111 HydrophobicContact CG2-CE2 3.8Å; T1107-F1111 WeakPolarHBondContact O-CD2 3.39Å; T1107-F1111 PolarHBondContact O-N 2.69Å; T1107-F1111 VanDerWaalsContact O-N 3.09Å; M1108-F1111 PolarHBondContact O-N 3.11Å; L1109-F1111 VanDerWaalsContact C-N 3.34Å; L1109-F1111 PolarHBondContact O-N 3.01Å; F1111-K1114 VanDerWaalsContact CD1-CE 3.41Å; F1111-K1114 VanDerWaalsContact CE1-NZ 3.25Å; F1111-K1114 WeakPolarHBondContact O-CG 3.35Å; F1111-A1115 VanDerWaalsContact O-CB 3.3Å; F1111-A1115 WeakPolarHBondContact O-CB 3.03Å; F1111-A1115 PolarHBondContact O-N 3.42Å
1112	Y	91	Very high	91.8	Very high	2 Å²	2	4 Å²	4	1%	0.008	2%	0.019	C	C	.	.	H	α-helix	trans	-69	-45.7	175.1	-60.1	-41.6	0	0	0	112.3	I347 F351 I409 M1108 L1109 K1114 A1115 V1116	I347-Y1112 HydrophobicContact CG2-CE1 4.04Å; I347-Y1112 HydrophobicContact CG2-CE2 3.83Å; I347-Y1112 WeakPolarHBondContact CG2-OH 3.34Å; F351-Y1112 HydrophobicContact CD2-CD1 4.17Å; F351-Y1112 HydrophobicContact CD2-CE1 4.21Å; F351-Y1112 AromaticContact CE2-CD1 3.51Å; F351-Y1112 HydrophobicContact CE2-CD1 3.51Å; F351-Y1112 HydrophobicContact CE2-CD2 4.36Å; F351-Y1112 AromaticContact CE2-CE1 3.85Å; F351-Y1112 HydrophobicContact CE2-CE1 3.85Å; F351-Y1112 AromaticContact CE2-CG 3.81Å; F351-Y1112 HydrophobicContact CE2-CG 3.81Å; F351-Y1112 HydrophobicContact CZ-CD1 4.02Å; F351-Y1112 HydrophobicContact CZ-CG 4.05Å; I409-Y1112 HydrophobicContact CD1-CD1 4.44Å; I409-Y1112 HydrophobicContact CD1-CE1 3.82Å; M1108-Y1112 HydrophobicContact CB-CE2 4.22Å; M1108-Y1112 HydrophobicContact CE-CE2 4.48Å; M1108-Y1112 WeakPolarHBondContact CE-OH 3.42Å; M1108-Y1112 WeakPolarHBondContact O-CD2 3.18Å; M1108-Y1112 PolarHBondContact O-N 3.21Å; L1109-Y1112 PolarHBondContact O-N 3.34Å; Y1112-K1114 PolarHBondContact O-N 3.28Å; Y1112-A1115 PolarHBondContact O-N 3.48Å; Y1112-V1116 WeakPolarHBondContact O-CB 2.99Å; Y1112-V1116 VanDerWaalsContact O-CG2 3.26Å; Y1112-V1116 WeakPolarHBondContact O-CG2 3.26Å; Y1112-V1116 PolarHBondContact O-N 3.12Å
1113	H	92.9	Very high	91.7	Very high	1 Å²	1	5.3 Å²	5.3	1%	0.005	3%	0.028	C	C	.	.	H	α-helix	trans	-57.6	-49.6	178.5	168.9	86.3	0	0	0	112.1	L1109 F1110 A1115 V1116 A1117 W1193 D1196 G1197 H1200	L1109-H1113 WeakPolarHBondContact O-CB 3.28Å; L1109-H1113 PolarHBondContact O-N 3.31Å; F1110-H1113 PolarHBondContact O-N 3.37Å; H1113-A1115 PolarHBondContact O-N 3.31Å; H1113-V1116 PolarHBondContact O-N 2.89Å; H1113-A1117 WeakPolarHBondContact O-CB 3.21Å; H1113-A1117 PolarHBondContact O-N 3Å; H1113-W1193 HydrophobicContact CB-CE3 3.89Å; H1113-W1193 HydrophobicContact CB-CZ3 4.44Å; H1113-D1196 IonicContact CE1-OD2 3.39Å; H1113-D1196 PolarHBondContact CE1-OD2 2.68Å; H1113-D1196 IonicContact ND1-OD2 3.85Å; H1113-G1197 WeakPolarHBondContact ND1-CA 3.04Å; H1113-G1197 PolarHBondContact ND1-N 3.21Å; H1113-H1200 AromaticContact CE1-CD2 3.81Å; H1113-H1200 AromaticContact CE1-CG 3.75Å; H1113-H1200 AromaticContact NE2-CG 3.97Å; H1113-H1200 AromaticContact NE2-ND1 3.84Å
1114	K	91.6	Very high	91.6	Very high	1 Å²	1	5 Å²	5	0%	0.004	3%	0.028	C	C	.	.	H	α-helix	trans	-67.3	-37	-178.8	78.6	-174.5	-172.3	179.2	0	112.8	F1110 F1111 Y1112 A1117 F1118 Y1145 N1146 T1150 V1252	F1110-K1114 WeakPolarHBondContact O-CB 3.5Å; F1110-K1114 WeakPolarHBondContact O-CG 3.1Å; F1110-K1114 PolarHBondContact O-N 2.94Å; F1111-K1114 VanDerWaalsContact CD1-CE 3.41Å; F1111-K1114 VanDerWaalsContact CE1-NZ 3.25Å; F1111-K1114 WeakPolarHBondContact O-CG 3.35Å; Y1112-K1114 PolarHBondContact O-N 3.28Å; K1114-A1117 PolarHBondContact O-N 3.46Å; K1114-F1118 VanDerWaalsContact O-CB 3.3Å; K1114-F1118 WeakPolarHBondContact O-CB 3.43Å; K1114-F1118 PolarHBondContact O-N 2.84Å; K1114-Y1145 HydrophobicContact CB-CE1 4.31Å; K1114-Y1145 HydrophobicContact CG-CE1 4.36Å; K1114-Y1145 PolarHBondContact O-OH 2.94Å; K1114-N1146 WeakPolarHBondContact CE-OD1 3.35Å; K1114-T1150 WeakPolarHBondContact CD-OG1 3.2Å; K1114-T1150 WeakPolarHBondContact CE-OG1 3.31Å; K1114-T1150 PolarHBondContact NZ-OG1 3.42Å; K1114-V1252 HydrophobicContact CB-CG1 3.67Å; K1114-V1252 HydrophobicContact CB-CG2 4.14Å
1115	A	90.8	Very high	91.4	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-66.6	-43.3	176.7	0	0	0	0	0	111.5	P406 F1111 Y1112 H1113 F1118 V1119	P406-A1115 HydrophobicContact CG-CB 4.24Å; F1111-A1115 VanDerWaalsContact O-CB 3.3Å; F1111-A1115 WeakPolarHBondContact O-CB 3.03Å; F1111-A1115 PolarHBondContact O-N 3.42Å; Y1112-A1115 PolarHBondContact O-N 3.48Å; H1113-A1115 PolarHBondContact O-N 3.31Å; A1115-F1118 PolarHBondContact O-N 3.1Å; A1115-V1119 WeakPolarHBondContact O-CG2 3.22Å; A1115-V1119 PolarHBondContact O-N 3.07Å
1116	V	93.7	Very high	91.2	Very high	9 Å²	9	5.3 Å²	5.3	6%	0.055	3%	0.03	C	C	.	.	H	α-helix	trans	-64	-42.6	174.4	172.6	0	0	0	0	111.4	F351 L404 Y1112 H1113 V1119 C1120 V1194 I1198	F351-V1116 HydrophobicContact CE1-CG2 3.86Å; F351-V1116 HydrophobicContact CZ-CG2 4.46Å; L404-V1116 HydrophobicContact CD1-CG2 3.86Å; Y1112-V1116 WeakPolarHBondContact O-CB 2.99Å; Y1112-V1116 VanDerWaalsContact O-CG2 3.26Å; Y1112-V1116 WeakPolarHBondContact O-CG2 3.26Å; Y1112-V1116 PolarHBondContact O-N 3.12Å; H1113-V1116 PolarHBondContact O-N 2.89Å; V1116-V1119 PolarHBondContact O-N 2.89Å; V1116-C1120 WeakPolarHBondContact O-CB 3.42Å; V1116-C1120 PolarHBondContact O-N 3.41Å; V1116-V1194 HydrophobicContact CG1-CG1 4.19Å; V1116-V1194 WeakPolarHBondContact CG1-O 3.35Å; V1116-V1194 HydrophobicContact CG2-CG1 4.36Å; V1116-V1194 HydrophobicContact CG2-CG2 4.41Å; V1116-I1198 HydrophobicContact CG1-CG1 3.69Å
1117	A	93.7	Very high	91.1	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-64	-42.4	177.6	0	0	0	0	0	112.4	H1113 K1114 C1120 N1121 G1197 H1200 G1201 L1248	H1113-A1117 WeakPolarHBondContact O-CB 3.21Å; H1113-A1117 PolarHBondContact O-N 3Å; K1114-A1117 PolarHBondContact O-N 3.46Å; A1117-C1120 PolarHBondContact O-N 3.46Å; A1117-N1121 WeakPolarHBondContact O-CB 3.5Å; A1117-N1121 PolarHBondContact O-N 3.1Å; A1117-G1197 WeakPolarHBondContact CA-O 3.05Å; A1117-G1197 VanDerWaalsContact CB-O 3.28Å; A1117-G1197 WeakPolarHBondContact CB-O 3.44Å; A1117-H1200 HydrophobicContact CB-CB 4.1Å; A1117-G1201 WeakPolarHBondContact O-CA 3.29Å; A1117-L1248 HydrophobicContact CB-CD1 3.72Å
1118	F	91.1	Very high	90.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-62.3	-47.1	175.8	-174	-91.9	0	0	0	112.5	Y403 K1114 A1115 N1121 Q1122 F1137 F1142 Y1145 F1245 L1248	Y403-F1118 HydrophobicContact CD1-CE1 4.38Å; Y403-F1118 HydrophobicContact CD2-CE1 4.37Å; Y403-F1118 HydrophobicContact CG-CD1 4.41Å; Y403-F1118 AromaticContact CG-CE1 3.95Å; Y403-F1118 HydrophobicContact CG-CE1 3.95Å; K1114-F1118 VanDerWaalsContact O-CB 3.3Å; K1114-F1118 WeakPolarHBondContact O-CB 3.43Å; K1114-F1118 PolarHBondContact O-N 2.84Å; A1115-F1118 PolarHBondContact O-N 3.1Å; F1118-N1121 PolarHBondContact O-N 2.87Å; F1118-Q1122 PolarHBondContact O-N 3.35Å; F1118-F1137 HydrophobicContact CD2-CE2 4.18Å; F1118-F1137 AromaticContact CE2-CD2 3.78Å; F1118-F1137 HydrophobicContact CE2-CD2 3.78Å; F1118-F1137 AromaticContact CE2-CE2 3.5Å; F1118-F1137 HydrophobicContact CE2-CE2 3.5Å; F1118-F1137 AromaticContact CZ-CD2 3.8Å; F1118-F1137 HydrophobicContact CZ-CD2 3.8Å; F1118-F1137 AromaticContact CZ-CE2 3.84Å; F1118-F1137 HydrophobicContact CZ-CE2 3.84Å; F1118-F1142 AromaticContact CE1-CD1 3.5Å; F1118-F1142 HydrophobicContact CE1-CD1 3.5Å; F1118-F1142 AromaticContact CE1-CE1 3.59Å; F1118-F1142 HydrophobicContact CE1-CE1 3.59Å; F1118-F1142 HydrophobicContact CE1-CG 4.47Å; F1118-F1142 AromaticContact CZ-CD1 3.38Å; F1118-F1142 HydrophobicContact CZ-CD1 3.38Å; F1118-F1142 AromaticContact CZ-CE1 3.63Å; F1118-F1142 HydrophobicContact CZ-CE1 3.63Å; F1118-F1142 AromaticContact CZ-CG 3.95Å; F1118-F1142 HydrophobicContact CZ-CG 3.95Å; F1118-F1142 HydrophobicContact CZ-CZ 4.36Å; F1118-Y1145 HydrophobicContact CB-CD1 4.28Å; F1118-Y1145 HydrophobicContact CB-CE1 3.78Å; F1118-Y1145 AromaticContact CD2-CD1 3.59Å; F1118-Y1145 HydrophobicContact CD2-CD1 3.59Å; F1118-Y1145 AromaticContact CD2-CD2 3.98Å; F1118-Y1145 HydrophobicContact CD2-CD2 3.98Å; F1118-Y1145 AromaticContact CD2-CE1 3.79Å; F1118-Y1145 HydrophobicContact CD2-CE1 3.79Å; F1118-Y1145 HydrophobicContact CD2-CE2 4.15Å; F1118-Y1145 AromaticContact CD2-CG 3.7Å; F1118-Y1145 HydrophobicContact CD2-CG 3.7Å; F1118-Y1145 HydrophobicContact CE2-CD1 4.17Å; F1118-Y1145 HydrophobicContact CE2-CD2 4.31Å; F1118-Y1145 AromaticContact CE2-CG 3.93Å; F1118-Y1145 HydrophobicContact CE2-CG 3.93Å; F1118-Y1145 HydrophobicContact CG-CD1 4.02Å; F1118-Y1145 HydrophobicContact CG-CE1 4.02Å; F1118-F1245 HydrophobicContact CE2-CD2 4.38Å; F1118-F1245 HydrophobicContact CE2-CE2 4.16Å; F1118-L1248 HydrophobicContact CB-CD2 4.09Å; F1118-L1248 HydrophobicContact CD2-CD2 3.7Å; F1118-L1248 HydrophobicContact CG-CD2 4.33Å
1119	V	90.9	Very high	90.2	Very high	5 Å²	5	16.8 Å²	16.8	3%	0.03	8%	0.081	C	C	.	.	H	α-helix	trans	-66.7	-43.4	176.9	170.3	0	0	0	0	111.4	I401 L404 A1115 V1116 N1121 Q1122 L1123	I401-V1119 HydrophobicContact CG1-CG1 4.47Å; I401-V1119 HydrophobicContact CG2-CG1 4Å; L404-V1119 HydrophobicContact CB-CG2 3.97Å; L404-V1119 HydrophobicContact CD1-CB 4.37Å; L404-V1119 HydrophobicContact CD1-CG2 4.32Å; A1115-V1119 WeakPolarHBondContact O-CG2 3.22Å; A1115-V1119 PolarHBondContact O-N 3.07Å; V1116-V1119 PolarHBondContact O-N 2.89Å; V1119-N1121 VanDerWaalsContact C-N 3.3Å; V1119-N1121 PolarHBondContact O-N 3.47Å; V1119-Q1122 CarbonylContact O-C 3.58Å; V1119-Q1122 PolarHBondContact O-N 3.37Å; V1119-Q1122 VanDerWaalsContact O-N 3.07Å; V1119-L1123 HydrophobicContact CG1-CD1 4.39Å; V1119-L1123 HydrophobicContact CG1-CG 4.26Å; V1119-L1123 WeakPolarHBondContact O-CG 3.3Å; V1119-L1123 PolarHBondContact O-N 3.25Å
1120	C	92.9	Very high	89.7	Confident	15 Å²	15	17.3 Å²	17.3	10%	0.101	9%	0.087	C	C	.	.	H	α-helix	trans	-58.5	-41.6	177.9	-176.3	0	0	0	0	112	V1116 A1117 Q1122 L1123 C1124 I1198	V1116-C1120 WeakPolarHBondContact O-CB 3.42Å; V1116-C1120 PolarHBondContact O-N 3.41Å; A1117-C1120 PolarHBondContact O-N 3.46Å; C1120-Q1122 PolarHBondContact O-N 2.82Å; C1120-L1123 WeakPolarHBondContact O-CB 3.44Å; C1120-L1123 PolarHBondContact O-N 3.4Å; C1120-L1123 VanDerWaalsContact O-N 3.14Å; C1120-C1124 PolarHBondContact O-N 3Å; C1120-C1124 PolarHBondContact O-SG 3.46Å; C1120-C1124 VanDerWaalsContact O-SG 3.34Å; C1120-I1198 PolarHBondContact SG-O 3.09Å
1121	N	92	Very high	89.4	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-57.7	-46.2	173.5	-174.8	-67.2	0	0	0	111.4	A1117 F1118 V1119 L1123 C1124 V1125 F1137 T1204 Y1205	A1117-N1121 WeakPolarHBondContact O-CB 3.5Å; A1117-N1121 PolarHBondContact O-N 3.1Å; F1118-N1121 PolarHBondContact O-N 2.87Å; V1119-N1121 VanDerWaalsContact C-N 3.3Å; V1119-N1121 PolarHBondContact O-N 3.47Å; N1121-L1123 PolarHBondContact O-N 2.97Å; N1121-C1124 PolarHBondContact O-N 2.87Å; N1121-V1125 WeakPolarHBondContact O-CG2 3.46Å; N1121-V1125 PolarHBondContact O-N 3.23Å; N1121-V1125 VanDerWaalsContact O-N 3.16Å; N1121-F1137 VanDerWaalsContact OD1-CZ 3.31Å; N1121-F1137 WeakPolarHBondContact OD1-CZ 3.26Å; N1121-T1204 PolarHBondContact ND2-OG1 3.46Å; N1121-Y1205 PolarHBondContact ND2-N 3.05Å
1122	Q	88.5	Confident	88.8	Confident	2 Å²	2	20 Å²	20	1%	0.009	10%	0.102	C	C	.	.	H	α-helix	trans	-65.4	-32.5	174.5	-67.9	-58.7	-73.8	0	0	113.7	I400 F1118 V1119 C1120 C1124 V1125 I1126 S1136 F1137 F1142	I400-Q1122 HydrophobicContact CG2-CB 4.04Å; I400-Q1122 HydrophobicContact CG2-CG 4.4Å; F1118-Q1122 PolarHBondContact O-N 3.35Å; V1119-Q1122 CarbonylContact O-C 3.58Å; V1119-Q1122 PolarHBondContact O-N 3.37Å; V1119-Q1122 VanDerWaalsContact O-N 3.07Å; C1120-Q1122 PolarHBondContact O-N 2.82Å; Q1122-C1124 VanDerWaalsContact C-N 3.34Å; Q1122-V1125 WeakPolarHBondContact O-CB 3.39Å; Q1122-V1125 PolarHBondContact O-N 2.8Å; Q1122-I1126 WeakPolarHBondContact O-CG1 3.31Å; Q1122-I1126 PolarHBondContact O-N 3.38Å; Q1122-S1136 PolarHBondContact NE2-OG 2.89Å; Q1122-F1137 HydrophobicContact CG-CE2 4.36Å; Q1122-F1142 HydrophobicContact CG-CE1 4.32Å; Q1122-F1142 HydrophobicContact CG-CZ 4.33Å
1123	L	90.8	Very high	88.1	Confident	50 Å²	50	21.1 Å²	21.1	26%	0.262	11%	0.108	S	C	.	.	H	α-helix	trans	-65.2	-37.4	173.6	-65.3	-174.2	0	0	0	112	I358 I362 I401 V1119 C1120 N1121 I1126 Y1127	I358-L1123 HydrophobicContact CG2-CD1 4.13Å; I358-L1123 HydrophobicContact CG2-CD2 4.42Å; I362-L1123 HydrophobicContact CD1-CD2 3.32Å; I401-L1123 HydrophobicContact CD1-CD2 4.02Å; I401-L1123 HydrophobicContact CG1-CD2 4.23Å; V1119-L1123 HydrophobicContact CG1-CD1 4.39Å; V1119-L1123 HydrophobicContact CG1-CG 4.26Å; V1119-L1123 WeakPolarHBondContact O-CG 3.3Å; V1119-L1123 PolarHBondContact O-N 3.25Å; C1120-L1123 WeakPolarHBondContact O-CB 3.44Å; C1120-L1123 PolarHBondContact O-N 3.4Å; C1120-L1123 VanDerWaalsContact O-N 3.14Å; N1121-L1123 PolarHBondContact O-N 2.97Å; L1123-I1126 HydrophobicContact CD2-CD1 4.34Å; L1123-I1126 PolarHBondContact O-N 3.5Å; L1123-Y1127 WeakPolarHBondContact O-CB 3.35Å; L1123-Y1127 PolarHBondContact O-N 3.09Å
1124	C	90.7	Very high	87.4	Confident	12 Å²	12	25.8 Å²	25.8	8%	0.081	13%	0.131	C	C	.	.	H	α-helix	trans	-66.1	-38.7	174	-60.7	0	0	0	0	112.2	C1120 N1121 Q1122 Y1127 N1128 Y1205 F1206	C1120-C1124 PolarHBondContact O-N 3Å; C1120-C1124 PolarHBondContact O-SG 3.46Å; C1120-C1124 VanDerWaalsContact O-SG 3.34Å; N1121-C1124 PolarHBondContact O-N 2.87Å; Q1122-C1124 VanDerWaalsContact C-N 3.34Å; C1124-Y1127 PolarHBondContact O-N 2.98Å; C1124-N1128 PolarHBondContact O-N 3.47Å; C1124-N1128 VanDerWaalsContact O-N 3.08Å; C1124-Y1205 HydrophobicContact CB-CD1 3.27Å; C1124-Y1205 HydrophobicContact CB-CD2 4.35Å; C1124-Y1205 HydrophobicContact CB-CE1 3.75Å; C1124-Y1205 HydrophobicContact CB-CG 3.61Å; C1124-F1206 HydrophobicContact CB-CE2 4.17Å
1125	V	87.3	Confident	86.6	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-59.7	-52.2	172.3	175.2	0	0	0	0	111.1	N1121 Q1122 Y1127 N1128 N1129 S1136 Y1205 F1237	N1121-V1125 WeakPolarHBondContact O-CG2 3.46Å; N1121-V1125 PolarHBondContact O-N 3.23Å; N1121-V1125 VanDerWaalsContact O-N 3.16Å; Q1122-V1125 WeakPolarHBondContact O-CB 3.39Å; Q1122-V1125 PolarHBondContact O-N 2.8Å; V1125-Y1127 VanDerWaalsContact C-N 3.27Å; V1125-Y1127 PolarHBondContact O-N 3.46Å; V1125-N1128 PolarHBondContact O-N 3.49Å; V1125-N1129 WeakPolarHBondContact O-CB 3.44Å; V1125-N1129 PolarHBondContact O-N 3.22Å; V1125-S1136 WeakPolarHBondContact CG2-OG 3.45Å; V1125-Y1205 HydrophobicContact CB-CE2 4.3Å; V1125-Y1205 HydrophobicContact CG2-CD2 3.63Å; V1125-Y1205 HydrophobicContact CG2-CE2 3.46Å; V1125-Y1205 VanDerWaalsContact CG2-CE2 3.46Å; V1125-F1237 HydrophobicContact CG1-CE2 4.04Å; V1125-F1237 HydrophobicContact CG1-CZ 3.74Å
1126	I	88.2	Confident	85.6	Confident	4 Å²	4	27.3 Å²	27.3	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-56.2	-43.1	179.4	-71.8	164.8	0	0	0	110.8	I362 F397 I400 Q1122 L1123 Y1131	I362-I1126 HydrophobicContact CG2-CG2 4.12Å; F397-I1126 HydrophobicContact CD1-CD1 4.04Å; F397-I1126 HydrophobicContact CE1-CD1 4.05Å; F397-I1126 HydrophobicContact CE1-CG1 4.32Å; F397-I1126 HydrophobicContact CE1-CG2 3.71Å; F397-I1126 HydrophobicContact CZ-CG2 4.33Å; I400-I1126 HydrophobicContact CD1-CD1 4.2Å; I400-I1126 HydrophobicContact CG2-CD1 4.11Å; Q1122-I1126 WeakPolarHBondContact O-CG1 3.31Å; Q1122-I1126 PolarHBondContact O-N 3.38Å; L1123-I1126 HydrophobicContact CD2-CD1 4.34Å; L1123-I1126 PolarHBondContact O-N 3.5Å; I1126-Y1131 HydrophobicContact CG2-CD1 3.75Å; I1126-Y1131 HydrophobicContact CG2-CE1 4.42Å; I1126-Y1131 HydrophobicContact CG2-CG 4.46Å; I1126-Y1131 VanDerWaalsContact O-CA 3.24Å; I1126-Y1131 WeakPolarHBondContact O-CA 3.48Å; I1126-Y1131 PolarHBondContact O-N 2.84Å
1127	Y	88.8	Confident	84.7	Confident	149 Å²	149	27.1 Å²	27.1	58%	0.584	14%	0.14	S	C	*	.	H	α-helix	trans	-63.7	-48.7	178.8	176.6	-97.5	0	0	0	112.6	L1123 C1124 V1125 G1130	L1123-Y1127 WeakPolarHBondContact O-CB 3.35Å; L1123-Y1127 PolarHBondContact O-N 3.09Å; C1124-Y1127 PolarHBondContact O-N 2.98Å; V1125-Y1127 VanDerWaalsContact C-N 3.27Å; V1125-Y1127 PolarHBondContact O-N 3.46Å; Y1127-G1130 PolarHBondContact O-N 3.33Å
1128	N	83.4	Confident	83.5	Confident	44 Å²	44	29.2 Å²	29.2	24%	0.235	16%	0.162	C	C	.	.	H	α-helix	trans	-72.7	-30.5	-176.5	-86.2	3	0	0	0	113.5	C1124 V1125 G1130 Y1205	C1124-N1128 PolarHBondContact O-N 3.47Å; C1124-N1128 VanDerWaalsContact O-N 3.08Å; V1125-N1128 PolarHBondContact O-N 3.49Å; N1128-G1130 PolarHBondContact O-N 3.24Å; N1128-Y1205 VanDerWaalsContact CB-OH 3.28Å; N1128-Y1205 WeakPolarHBondContact CB-OH 3.38Å; N1128-Y1205 WeakPolarHBondContact ND2-CE1 3.48Å; N1128-Y1205 PolarHBondContact ND2-OH 3.3Å
1129	N	80.5	Confident	82.5	Confident	50 Å²	50	32 Å²	32	27%	0.267	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	18.1	175.9	-67.9	12.8	0	0	0	113.5	V1125 Y1131 S1132 F1237	V1125-N1129 WeakPolarHBondContact O-CB 3.44Å; V1125-N1129 PolarHBondContact O-N 3.22Å; N1129-Y1131 PolarHBondContact O-N 3.36Å; N1129-S1132 VanDerWaalsContact CB-OG 3.22Å; N1129-S1132 WeakPolarHBondContact CB-OG 3.41Å; N1129-S1132 WeakPolarHBondContact O-CB 3.21Å; N1129-S1132 PolarHBondContact O-N 3.02Å; N1129-S1132 PolarHBondContact O-OG 3.41Å; N1129-F1237 WeakPolarHBondContact ND2-CE2 3.3Å; N1129-F1237 WeakPolarHBondContact ND2-CZ 3.5Å
1130	G	81.7	Confident	81.7	Confident	11 Å²	11	35.3 Å²	35.3	11%	0.113	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	35.3	178.2	0	0	0	0	0	113.9	W369 Y1127 N1128 S1132	W369-G1130 WeakPolarHBondContact CH2-O 3.38Å; W369-G1130 VanDerWaalsContact CZ2-CA 3.41Å; W369-G1130 WeakPolarHBondContact CZ3-O 3.34Å; Y1127-G1130 PolarHBondContact O-N 3.33Å; N1128-G1130 PolarHBondContact O-N 3.24Å; G1130-S1132 PolarHBondContact O-N 3.11Å
1131	Y	85.6	Confident	81	Confident	28 Å²	28	34.8 Å²	34.8	11%	0.11	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	19.2	-174.9	-53.4	-89.5	0	0	0	114.9	I362 L365 W369 I1126 N1129 E1133	I362-Y1131 HydrophobicContact CG2-CD1 4.12Å; I362-Y1131 HydrophobicContact CG2-CE1 4.43Å; L365-Y1131 HydrophobicContact CB-CE1 3.79Å; W369-Y1131 HydrophobicContact CB-CD2 3.68Å; W369-Y1131 HydrophobicContact CB-CE2 3.82Å; W369-Y1131 AromaticContact CD1-CD2 3.99Å; W369-Y1131 AromaticContact CD1-CE2 3.85Å; W369-Y1131 HydrophobicContact CD2-CD2 4.12Å; W369-Y1131 AromaticContact CG-CD2 3.66Å; W369-Y1131 HydrophobicContact CG-CD2 3.66Å; W369-Y1131 AromaticContact CG-CE2 3.87Å; W369-Y1131 HydrophobicContact CG-CE2 3.87Å; I1126-Y1131 HydrophobicContact CG2-CD1 3.75Å; I1126-Y1131 HydrophobicContact CG2-CE1 4.42Å; I1126-Y1131 HydrophobicContact CG2-CG 4.46Å; I1126-Y1131 VanDerWaalsContact O-CA 3.24Å; I1126-Y1131 WeakPolarHBondContact O-CA 3.48Å; I1126-Y1131 PolarHBondContact O-N 2.84Å; N1129-Y1131 PolarHBondContact O-N 3.36Å; Y1131-E1133 PolarHBondContact O-N 3Å
1132	S	78	Confident	80.1	Confident	37 Å²	37	35.3 Å²	35.3	26%	0.259	19%	0.194	S	C	.	.			trans	-56.4	129.4	165.9	80.1	0	0	0	0	109.1	N1129 G1130 I1134	N1129-S1132 VanDerWaalsContact CB-OG 3.22Å; N1129-S1132 WeakPolarHBondContact CB-OG 3.41Å; N1129-S1132 WeakPolarHBondContact O-CB 3.21Å; N1129-S1132 PolarHBondContact O-N 3.02Å; N1129-S1132 PolarHBondContact O-OG 3.41Å; G1130-S1132 PolarHBondContact O-N 3.11Å; S1132-I1134 PolarHBondContact O-N 3.48Å
1133	E	77.2	Confident	79.4	Confident	25 Å²	25	37.6 Å²	37.6	12%	0.117	21%	0.206	C	C	.	.			trans	-79.1	32.2	-173.6	-58.7	173.5	-154.2	0	0	112.2	V86 T393 R396 F397 Y1131	V86-E1133 WeakPolarHBondContact CG1-O 3.2Å; T393-E1133 WeakPolarHBondContact CG2-OE1 3.26Å; T393-E1133 PolarHBondContact OG1-OE1 2.88Å; R396-E1133 WeakPolarHBondContact CB-OE2 3.49Å; R396-E1133 WeakPolarHBondContact CD-OE2 3.18Å; R396-E1133 IonicContact CZ-OE2 2.73Å; R396-E1133 IonicContact NE-OE2 3.2Å; R396-E1133 PolarHBondContact NE-OE2 3.16Å; R396-E1133 VanDerWaalsContact NH1-CD 3.31Å; R396-E1133 IonicContact NH1-OE1 3.09Å; R396-E1133 IonicContact NH1-OE2 2.8Å; R396-E1133 PolarHBondContact NH1-OE2 3.48Å; F397-E1133 HydrophobicContact CE1-CG 4.05Å; F397-E1133 HydrophobicContact CE2-CG 4.17Å; F397-E1133 HydrophobicContact CZ-CG 3.76Å; Y1131-E1133 PolarHBondContact O-N 3Å
1134	I	77.4	Confident	78.8	Confident	98 Å²	98	36.3 Å²	36.3	50%	0.503	20%	0.2	S	C	.	.			trans	-103	120.6	-172.7	-54.4	174.7	0	0	0	108.9	S1132 F1237	S1132-I1134 PolarHBondContact O-N 3.48Å; I1134-F1237 HydrophobicContact CG2-CE1 4.16Å
1135	P	75	Confident	78.5	Confident	29 Å²	29	35.7 Å²	35.7	19%	0.188	20%	0.197	C	C	.	.			trans	-73.6	146.9	176.5	30.4	-34.3	0	0	0	111.5	V86 F1142	V86-P1135 HydrophobicContact CG1-CG 4.2Å; P1135-F1142 HydrophobicContact CB-CE2 3.66Å; P1135-F1142 HydrophobicContact CB-CZ 3.57Å; P1135-F1142 HydrophobicContact CG-CE2 4.39Å
1136	S	70.9	Confident	78	Confident	5 Å²	5	36.3 Å²	36.3	4%	0.035	20%	0.2	C	C	.	.	S	Bend	trans	-75.4	-24.5	177	58.9	0	0	0	0	114.1	Q1122 V1125 G1241	Q1122-S1136 PolarHBondContact NE2-OG 2.89Å; V1125-S1136 WeakPolarHBondContact CG2-OG 3.45Å; S1136-G1241 WeakPolarHBondContact O-CA 3.4Å
1137	F	73.8	Confident	77.3	Confident	5 Å²	5	39.9 Å²	39.9	2%	0.022	22%	0.219	C	C	.	.	S	Bend	trans	-99.6	144.6	-177.2	-42.9	-44.5	0	0	0	111	F1118 N1121 Q1122 L1141 F1142 G1241 F1245	F1118-F1137 HydrophobicContact CD2-CE2 4.18Å; F1118-F1137 AromaticContact CE2-CD2 3.78Å; F1118-F1137 HydrophobicContact CE2-CD2 3.78Å; F1118-F1137 AromaticContact CE2-CE2 3.5Å; F1118-F1137 HydrophobicContact CE2-CE2 3.5Å; F1118-F1137 AromaticContact CZ-CD2 3.8Å; F1118-F1137 HydrophobicContact CZ-CD2 3.8Å; F1118-F1137 AromaticContact CZ-CE2 3.84Å; F1118-F1137 HydrophobicContact CZ-CE2 3.84Å; N1121-F1137 VanDerWaalsContact OD1-CZ 3.31Å; N1121-F1137 WeakPolarHBondContact OD1-CZ 3.26Å; Q1122-F1137 HydrophobicContact CG-CE2 4.36Å; F1137-L1141 HydrophobicContact CB-CB 4Å; F1137-L1141 HydrophobicContact CB-CD1 3.99Å; F1137-F1142 HydrophobicContact CB-CD2 3.98Å; F1137-F1142 HydrophobicContact CB-CE2 3.66Å; F1137-F1142 HydrophobicContact CD2-CD2 4.46Å; F1137-F1142 HydrophobicContact CD2-CE2 4.01Å; F1137-F1142 HydrophobicContact CD2-CZ 4.09Å; F1137-F1142 HydrophobicContact CG-CE2 4.28Å; F1137-F1142 WeakPolarHBondContact O-CE2 3.38Å; F1137-G1241 VanDerWaalsContact CD1-O 3.29Å; F1137-G1241 WeakPolarHBondContact CD1-O 3.46Å; F1137-G1241 WeakPolarHBondContact CE1-O 3.37Å; F1137-F1245 HydrophobicContact CD1-CB 3.8Å; F1137-F1245 HydrophobicContact CD1-CD2 4.21Å; F1137-F1245 HydrophobicContact CD1-CG 4.46Å; F1137-F1245 AromaticContact CD2-CD2 4Å; F1137-F1245 HydrophobicContact CD2-CD2 4Å; F1137-F1245 HydrophobicContact CE1-CB 3.64Å; F1137-F1245 HydrophobicContact CE1-CD2 4.29Å; F1137-F1245 HydrophobicContact CE1-CG 4.49Å; F1137-F1245 HydrophobicContact CE2-CD2 4.05Å; F1137-F1245 HydrophobicContact CG-CB 4.48Å; F1137-F1245 HydrophobicContact CG-CD2 4.07Å; F1137-F1245 HydrophobicContact CZ-CB 4.17Å; F1137-F1245 HydrophobicContact CZ-CD2 4.19Å
1138	G	68.7	Low	76.9	Confident	44 Å²	44	35 Å²	35	45%	0.454	20%	0.204	S	C	.	.			trans	-60.3	145.4	167.7	0	0	0	0	0	111.7	I1140 L1141	G1138-I1140 PolarHBondContact O-N 3.47Å; G1138-L1141 VanDerWaalsContact O-CB 3.31Å; G1138-L1141 WeakPolarHBondContact O-CB 3.34Å; G1138-L1141 PolarHBondContact O-N 3.24Å
1139	T	71.4	Confident	76.8	Confident	57 Å²	57	33 Å²	33	35%	0.35	19%	0.194	S	C	.	.	H	α-helix	trans	-54.3	-29.3	-172.2	-36.8	0	0	0	0	114.3	V91	V91-T1139 HydrophobicContact CG1-CG2 4.4Å; V91-T1139 HydrophobicContact CG2-CG2 3.93Å
1140	I	73.1	Confident	77.1	Confident	75 Å²	75	30.8 Å²	30.8	39%	0.385	18%	0.181	S	C	.	.	H	α-helix	trans	-64.8	-39.1	176.1	-62	173.7	0	0	0	111.3	G1138 F1142 I1143 C1144 L1281 F1284	G1138-I1140 PolarHBondContact O-N 3.47Å; I1140-F1142 VanDerWaalsContact C-N 3.32Å; I1140-F1142 PolarHBondContact O-N 2.87Å; I1140-I1143 PolarHBondContact O-N 3.38Å; I1140-I1143 VanDerWaalsContact O-N 3.16Å; I1140-C1144 PolarHBondContact O-N 2.92Å; I1140-C1144 PolarHBondContact O-SG 3.19Å; I1140-C1144 VanDerWaalsContact O-SG 3.37Å; I1140-L1281 HydrophobicContact CG2-CD1 4.1Å; I1140-F1284 HydrophobicContact CD1-CE1 4.33Å
1141	L	77.3	Confident	77.2	Confident	4 Å²	4	32.5 Å²	32.5	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-63.6	-38.2	-178.5	-59.6	-176.9	0	0	0	111.9	F1137 G1138 I1143 C1144 Y1145 N1242 F1245 L1281	F1137-L1141 HydrophobicContact CB-CB 4Å; F1137-L1141 HydrophobicContact CB-CD1 3.99Å; G1138-L1141 VanDerWaalsContact O-CB 3.31Å; G1138-L1141 WeakPolarHBondContact O-CB 3.34Å; G1138-L1141 PolarHBondContact O-N 3.24Å; L1141-I1143 VanDerWaalsContact C-N 3.29Å; L1141-I1143 PolarHBondContact O-N 2.88Å; L1141-C1144 PolarHBondContact O-N 2.92Å; L1141-Y1145 WeakPolarHBondContact O-CB 3.43Å; L1141-Y1145 PolarHBondContact O-N 3.48Å; L1141-N1242 WeakPolarHBondContact CD1-OD1 3.47Å; L1141-F1245 HydrophobicContact CB-CD2 4.08Å; L1141-F1245 HydrophobicContact CB-CE1 4.47Å; L1141-F1245 HydrophobicContact CB-CE2 3.75Å; L1141-F1245 HydrophobicContact CB-CZ 3.97Å; L1141-F1245 HydrophobicContact CD1-CD1 4.48Å; L1141-F1245 HydrophobicContact CD1-CG 4.3Å; L1141-F1245 HydrophobicContact CD2-CD1 4.43Å; L1141-F1245 HydrophobicContact CD2-CE1 4.14Å; L1141-F1245 HydrophobicContact CD2-CZ 4.36Å; L1141-F1245 WeakPolarHBondContact O-CE2 3.37Å; L1141-L1281 HydrophobicContact CD2-CD1 4.02Å; L1141-L1281 HydrophobicContact CD2-CD2 3.31Å; L1141-L1281 HydrophobicContact CD2-CG 4.08Å
1142	F	74.6	Confident	77.3	Confident	12 Å²	12	33.7 Å²	33.7	5%	0.053	19%	0.194	C	C	.	.	H	α-helix	trans	-57.4	-38.3	174.3	-81.5	-95	0	0	0	113.1	Y403 F1118 Q1122 P1135 F1137 I1140	Y403-F1142 HydrophobicContact CD1-CD1 4.35Å; Y403-F1142 AromaticContact CD2-CD1 3.71Å; Y403-F1142 HydrophobicContact CD2-CD1 3.71Å; Y403-F1142 HydrophobicContact CD2-CE1 4.09Å; Y403-F1142 HydrophobicContact CE1-CB 3.97Å; Y403-F1142 HydrophobicContact CE1-CD1 4.09Å; Y403-F1142 HydrophobicContact CE2-CB 4.45Å; Y403-F1142 AromaticContact CE2-CD1 3.41Å; Y403-F1142 HydrophobicContact CE2-CD1 3.41Å; Y403-F1142 VanDerWaalsContact CE2-CD1 3.41Å; Y403-F1142 HydrophobicContact CE2-CE1 4.01Å; Y403-F1142 HydrophobicContact CE2-CG 4.28Å; Y403-F1142 HydrophobicContact CG-CD1 4.18Å; Y403-F1142 AromaticContact CZ-CD1 3.62Å; F1118-F1142 AromaticContact CE1-CD1 3.5Å; F1118-F1142 HydrophobicContact CE1-CD1 3.5Å; F1118-F1142 AromaticContact CE1-CE1 3.59Å; F1118-F1142 HydrophobicContact CE1-CE1 3.59Å; F1118-F1142 HydrophobicContact CE1-CG 4.47Å; F1118-F1142 AromaticContact CZ-CD1 3.38Å; F1118-F1142 HydrophobicContact CZ-CD1 3.38Å; F1118-F1142 AromaticContact CZ-CE1 3.63Å; F1118-F1142 HydrophobicContact CZ-CE1 3.63Å; F1118-F1142 AromaticContact CZ-CG 3.95Å; F1118-F1142 HydrophobicContact CZ-CG 3.95Å; F1118-F1142 HydrophobicContact CZ-CZ 4.36Å; Q1122-F1142 HydrophobicContact CG-CE1 4.32Å; Q1122-F1142 HydrophobicContact CG-CZ 4.33Å; P1135-F1142 HydrophobicContact CB-CE2 3.66Å; P1135-F1142 HydrophobicContact CB-CZ 3.57Å; P1135-F1142 HydrophobicContact CG-CE2 4.39Å; F1137-F1142 HydrophobicContact CB-CD2 3.98Å; F1137-F1142 HydrophobicContact CB-CE2 3.66Å; F1137-F1142 HydrophobicContact CD2-CD2 4.46Å; F1137-F1142 HydrophobicContact CD2-CE2 4.01Å; F1137-F1142 HydrophobicContact CD2-CZ 4.09Å; F1137-F1142 HydrophobicContact CG-CE2 4.28Å; F1137-F1142 WeakPolarHBondContact O-CE2 3.38Å; I1140-F1142 VanDerWaalsContact C-N 3.32Å; I1140-F1142 PolarHBondContact O-N 2.87Å
1143	I	73.8	Confident	77.8	Confident	49 Å²	49	32.1 Å²	32.1	25%	0.251	18%	0.183	S	C	.	.	H	α-helix	trans	-71.6	-56.6	175	-59.8	164	0	0	0	110	V91 I1140 L1141 Y1145 N1146 L1147	V91-I1143 HydrophobicContact CB-CD1 3.95Å; V91-I1143 HydrophobicContact CB-CG1 4.19Å; V91-I1143 HydrophobicContact CG1-CD1 3.66Å; V91-I1143 HydrophobicContact CG1-CG1 3.35Å; V91-I1143 HydrophobicContact CG2-CD1 3.56Å; V91-I1143 HydrophobicContact CG2-CG1 4.27Å; I1140-I1143 PolarHBondContact O-N 3.38Å; I1140-I1143 VanDerWaalsContact O-N 3.16Å; L1141-I1143 VanDerWaalsContact C-N 3.29Å; L1141-I1143 PolarHBondContact O-N 2.88Å; I1143-Y1145 PolarHBondContact O-N 3.27Å; I1143-N1146 PolarHBondContact O-N 2.67Å; I1143-L1147 HydrophobicContact CG2-CB 4.32Å; I1143-L1147 HydrophobicContact CG2-CD2 3.96Å; I1143-L1147 WeakPolarHBondContact O-CB 3.37Å; I1143-L1147 PolarHBondContact O-N 3.18Å; I1143-L1147 VanDerWaalsContact O-N 3.12Å
1144	C	78.3	Confident	78.3	Confident	23 Å²	23	31.2 Å²	31.2	16%	0.155	18%	0.179	C	C	.	.	H	α-helix	trans	-60	-35	-169.3	-68.2	0	0	0	0	111.3	I1140 L1141 N1146 L1147 T1148 M1149	I1140-C1144 PolarHBondContact O-N 2.92Å; I1140-C1144 PolarHBondContact O-SG 3.19Å; I1140-C1144 VanDerWaalsContact O-SG 3.37Å; L1141-C1144 PolarHBondContact O-N 2.92Å; C1144-N1146 PolarHBondContact O-N 3.39Å; C1144-L1147 PolarHBondContact O-N 2.73Å; C1144-T1148 WeakPolarHBondContact CA-OG1 3.4Å; C1144-T1148 PolarHBondContact O-N 2.8Å; C1144-T1148 PolarHBondContact O-OG1 2.92Å; C1144-T1148 VanDerWaalsContact O-OG1 3.14Å; C1144-M1149 HydrophobicContact CB-CE 3.97Å; C1144-M1149 HydrophobicContact CB-CG 3.92Å; C1144-M1149 WeakPolarHBondContact O-CB 3.3Å; C1144-M1149 WeakPolarHBondContact O-CG 3.47Å; C1144-M1149 PolarHBondContact O-N 3.35Å
1145	Y	83	Confident	78.8	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.159	C	C	.	.	I	π-helix	trans	-48.9	-54.9	176.7	-171.6	-100.5	0	0	0	113.4	K1114 F1118 L1141 I1143 T1150 F1245 L1248	K1114-Y1145 HydrophobicContact CB-CE1 4.31Å; K1114-Y1145 HydrophobicContact CG-CE1 4.36Å; K1114-Y1145 PolarHBondContact O-OH 2.94Å; F1118-Y1145 HydrophobicContact CB-CD1 4.28Å; F1118-Y1145 HydrophobicContact CB-CE1 3.78Å; F1118-Y1145 AromaticContact CD2-CD1 3.59Å; F1118-Y1145 HydrophobicContact CD2-CD1 3.59Å; F1118-Y1145 AromaticContact CD2-CD2 3.98Å; F1118-Y1145 HydrophobicContact CD2-CD2 3.98Å; F1118-Y1145 AromaticContact CD2-CE1 3.79Å; F1118-Y1145 HydrophobicContact CD2-CE1 3.79Å; F1118-Y1145 HydrophobicContact CD2-CE2 4.15Å; F1118-Y1145 AromaticContact CD2-CG 3.7Å; F1118-Y1145 HydrophobicContact CD2-CG 3.7Å; F1118-Y1145 HydrophobicContact CE2-CD1 4.17Å; F1118-Y1145 HydrophobicContact CE2-CD2 4.31Å; F1118-Y1145 AromaticContact CE2-CG 3.93Å; F1118-Y1145 HydrophobicContact CE2-CG 3.93Å; F1118-Y1145 HydrophobicContact CG-CD1 4.02Å; F1118-Y1145 HydrophobicContact CG-CE1 4.02Å; L1141-Y1145 WeakPolarHBondContact O-CB 3.43Å; L1141-Y1145 PolarHBondContact O-N 3.48Å; I1143-Y1145 PolarHBondContact O-N 3.27Å; Y1145-T1150 HydrophobicContact CD2-CG2 4.16Å; Y1145-T1150 HydrophobicContact CE1-CG2 4.4Å; Y1145-T1150 HydrophobicContact CE2-CG2 3.85Å; Y1145-T1150 WeakPolarHBondContact O-CB 3.19Å; Y1145-T1150 WeakPolarHBondContact O-CG2 3.44Å; Y1145-T1150 PolarHBondContact O-N 2.95Å; Y1145-T1150 PolarHBondContact O-OG1 2.97Å; Y1145-F1245 AromaticContact CD2-CE2 3.81Å; Y1145-F1245 HydrophobicContact CD2-CE2 3.81Å; Y1145-F1245 AromaticContact CD2-CZ 3.97Å; Y1145-F1245 HydrophobicContact CD2-CZ 3.97Å; Y1145-F1245 HydrophobicContact CG-CE2 4.23Å; Y1145-F1245 HydrophobicContact CG-CZ 4.49Å; Y1145-L1248 HydrophobicContact CE2-CD2 3.89Å; Y1145-L1248 HydrophobicContact CE2-CG 3.99Å
1146	N	76.7	Confident	79.4	Confident	14 Å²	14	25.9 Å²	25.9	8%	0.075	15%	0.15	C	C	.	.	I	π-helix	trans	-88.7	-22.8	-174.5	-85.5	-38.7	0	0	0	114.2	S408 K1114 I1143 C1144	S408-N1146 PolarHBondContact OG-O 3.24Å; K1114-N1146 WeakPolarHBondContact CE-OD1 3.35Å; I1143-N1146 PolarHBondContact O-N 2.67Å; C1144-N1146 PolarHBondContact O-N 3.39Å
1147	L	75.2	Confident	80.4	Confident	79 Å²	79	25.7 Å²	25.7	41%	0.414	15%	0.149	S	C	.	.	I	π-helix	trans	-95.5	-40.7	-174.9	-172.4	64.3	0	0	0	113.8	I1143 C1144 F1151	I1143-L1147 HydrophobicContact CG2-CB 4.32Å; I1143-L1147 HydrophobicContact CG2-CD2 3.96Å; I1143-L1147 WeakPolarHBondContact O-CB 3.37Å; I1143-L1147 PolarHBondContact O-N 3.18Å; I1143-L1147 VanDerWaalsContact O-N 3.12Å; C1144-L1147 PolarHBondContact O-N 2.73Å; L1147-F1151 WeakPolarHBondContact O-CB 3.14Å
1148	T	78.6	Confident	81	Confident	45 Å²	45	25.5 Å²	25.5	28%	0.276	15%	0.148	S	C	.	.	I	π-helix	trans	-125.8	-41.2	-170	57.8	0	0	0	0	113.7	C1144 N1277	C1144-T1148 WeakPolarHBondContact CA-OG1 3.4Å; C1144-T1148 PolarHBondContact O-N 2.8Å; C1144-T1148 PolarHBondContact O-OG1 2.92Å; C1144-T1148 VanDerWaalsContact O-OG1 3.14Å; T1148-N1277 PolarHBondContact O-ND2 3.04Å
1149	M	82.1	Confident	82	Confident	4 Å²	4	24.7 Å²	24.7	2%	0.02	13%	0.133	C	C	.	.	I	π-helix	trans	-77.1	-38.6	-170	-62.4	-65	168.7	0	0	113.8	C1144 W1249 T1274 N1277 L1278 L1281	C1144-M1149 HydrophobicContact CB-CE 3.97Å; C1144-M1149 HydrophobicContact CB-CG 3.92Å; C1144-M1149 WeakPolarHBondContact O-CB 3.3Å; C1144-M1149 WeakPolarHBondContact O-CG 3.47Å; C1144-M1149 PolarHBondContact O-N 3.35Å; M1149-W1249 PolarHBondContact O-NE1 3.31Å; M1149-T1274 WeakPolarHBondContact O-CB 3.39Å; M1149-T1274 WeakPolarHBondContact O-CG2 3.41Å; M1149-N1277 HydrophobicContact CE-CB 4.15Å; M1149-N1277 VanDerWaalsContact CE-O 3.22Å; M1149-N1277 WeakPolarHBondContact CE-O 3.43Å; M1149-N1277 HydrophobicContact SD-CB 3.83Å; M1149-L1278 HydrophobicContact SD-CB 3.94Å; M1149-L1281 HydrophobicContact CE-CB 3.59Å; M1149-L1281 HydrophobicContact CE-CD2 3.48Å; M1149-L1281 VanDerWaalsContact CE-CD2 3.48Å; M1149-L1281 HydrophobicContact CE-CG 4.08Å
1150	T	86.1	Confident	82.8	Confident	2 Å²	2	24.7 Å²	24.7	1%	0.012	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-7.2	179.1	66.7	0	0	0	0	113.6	K1114 Y1145 S1154 V1252	K1114-T1150 WeakPolarHBondContact CD-OG1 3.2Å; K1114-T1150 WeakPolarHBondContact CE-OG1 3.31Å; K1114-T1150 PolarHBondContact NZ-OG1 3.42Å; Y1145-T1150 HydrophobicContact CD2-CG2 4.16Å; Y1145-T1150 HydrophobicContact CE1-CG2 4.4Å; Y1145-T1150 HydrophobicContact CE2-CG2 3.85Å; Y1145-T1150 WeakPolarHBondContact O-CB 3.19Å; Y1145-T1150 WeakPolarHBondContact O-CG2 3.44Å; Y1145-T1150 PolarHBondContact O-N 2.95Å; Y1145-T1150 PolarHBondContact O-OG1 2.97Å; T1150-S1154 PolarHBondContact O-N 3.12Å; T1150-S1154 PolarHBondContact O-OG 3.09Å; T1150-V1252 HydrophobicContact CG2-CG1 4.29Å
1151	F	84.8	Confident	83.7	Confident	48 Å²	48	21.3 Å²	21.3	21%	0.211	11%	0.11	C	C	.	.	H	α-helix	trans	-66.7	-53.5	-175.6	169.5	-105.1	0	0	0	112.3	T412 L1147 V1153 S1154 L1155	T412-F1151 HydrophobicContact CG2-CD2 4.47Å; T412-F1151 HydrophobicContact CG2-CE2 3.98Å; T412-F1151 WeakPolarHBondContact OG1-CE2 3.42Å; L1147-F1151 WeakPolarHBondContact O-CB 3.14Å; F1151-V1153 PolarHBondContact O-N 3.44Å; F1151-S1154 WeakPolarHBondContact O-CB 3.44Å; F1151-S1154 PolarHBondContact O-N 3.36Å; F1151-S1154 VanDerWaalsContact O-N 3.14Å; F1151-L1155 HydrophobicContact CE1-CD2 3.82Å; F1151-L1155 HydrophobicContact CE2-CD2 4.43Å; F1151-L1155 HydrophobicContact CZ-CD2 3.67Å; F1151-L1155 WeakPolarHBondContact O-CB 3.47Å; F1151-L1155 PolarHBondContact O-N 3.46Å
1152	L	86.8	Confident	84.2	Confident	53 Å²	53	26.6 Å²	26.6	28%	0.277	13%	0.13	S	C	.	.	H	α-helix	trans	-60.5	-40.8	-173.2	-68.8	172.7	0	0	0	113.1	L1155 G1156 T1274	L1152-L1155 PolarHBondContact O-N 3.19Å; L1152-G1156 PolarHBondContact O-N 3.31Å; L1152-T1274 HydrophobicContact CB-CG2 3.83Å
1153	V	88.8	Confident	85	Confident	3 Å²	3	26.7 Å²	26.7	2%	0.018	13%	0.131	C	C	.	.	H	α-helix	trans	-67.4	-43	176.3	167.9	0	0	0	0	111.5	F1151 L1155 G1156 Y1157 S1256 H1271 T1274	F1151-V1153 PolarHBondContact O-N 3.44Å; V1153-L1155 VanDerWaalsContact C-N 3.31Å; V1153-L1155 PolarHBondContact O-N 3.25Å; V1153-G1156 PolarHBondContact O-N 3.36Å; V1153-Y1157 PolarHBondContact O-N 3.16Å; V1153-Y1157 VanDerWaalsContact O-N 3.09Å; V1153-S1256 VanDerWaalsContact CG1-CB 3.44Å; V1153-S1256 WeakPolarHBondContact CG1-OG 3.44Å; V1153-H1271 WeakPolarHBondContact CG2-ND1 3.11Å; V1153-T1274 HydrophobicContact CB-CG2 4.35Å; V1153-T1274 HydrophobicContact CG2-CG2 3.64Å
1154	S	87.5	Confident	85.8	Confident	6 Å²	6	26.2 Å²	26.2	4%	0.042	13%	0.128	C	C	.	.	H	α-helix	trans	-61.2	-40.4	176.5	-53.1	0	0	0	0	111.9	T1107 T1150 F1151 G1158	T1107-S1154 PolarHBondContact OG1-O 2.96Å; T1150-S1154 PolarHBondContact O-N 3.12Å; T1150-S1154 PolarHBondContact O-OG 3.09Å; F1151-S1154 WeakPolarHBondContact O-CB 3.44Å; F1151-S1154 PolarHBondContact O-N 3.36Å; F1151-S1154 VanDerWaalsContact O-N 3.14Å; S1154-G1158 PolarHBondContact O-N 3.01Å
1155	L	87.8	Confident	86.4	Confident	14 Å²	14	30 Å²	30	7%	0.073	14%	0.144	C	C	.	.	H	α-helix	trans	-72.2	-45.5	178.1	175.3	63.7	0	0	0	111.8	T412 F415 F1151 L1152 V1153 Y1157 G1158 M1159	T412-L1155 HydrophobicContact CG2-CB 4.27Å; T412-L1155 HydrophobicContact CG2-CD1 4Å; F415-L1155 HydrophobicContact CD1-CD1 3.89Å; F415-L1155 HydrophobicContact CD1-CD2 4.19Å; F415-L1155 HydrophobicContact CE1-CD1 4.3Å; F415-L1155 HydrophobicContact CE1-CD2 4.03Å; F1151-L1155 HydrophobicContact CE1-CD2 3.82Å; F1151-L1155 HydrophobicContact CE2-CD2 4.43Å; F1151-L1155 HydrophobicContact CZ-CD2 3.67Å; F1151-L1155 WeakPolarHBondContact O-CB 3.47Å; F1151-L1155 PolarHBondContact O-N 3.46Å; L1152-L1155 PolarHBondContact O-N 3.19Å; V1153-L1155 VanDerWaalsContact C-N 3.31Å; V1153-L1155 PolarHBondContact O-N 3.25Å; L1155-Y1157 VanDerWaalsContact C-N 3.33Å; L1155-Y1157 PolarHBondContact O-N 3.12Å; L1155-G1158 CarbonylContact O-C 3.47Å; L1155-G1158 WeakPolarHBondContact O-CA 3.14Å; L1155-G1158 PolarHBondContact O-N 3.29Å; L1155-M1159 HydrophobicContact CD1-CG 3.96Å; L1155-M1159 HydrophobicContact CD1-SD 3.62Å; L1155-M1159 HydrophobicContact CD2-SD 4.08Å; L1155-M1159 HydrophobicContact CG-CG 4.33Å; L1155-M1159 HydrophobicContact CG-SD 3.59Å; L1155-M1159 VanDerWaalsContact CG-SD 3.59Å; L1155-M1159 WeakPolarHBondContact O-CG 3.44Å; L1155-M1159 PolarHBondContact O-N 2.86Å
1156	G	89.1	Confident	86.9	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-59.3	-42.4	179.7	0	0	0	0	0	112.4	L1152 V1153 M1159 F1160	L1152-G1156 PolarHBondContact O-N 3.31Å; V1153-G1156 PolarHBondContact O-N 3.36Å; G1156-M1159 PolarHBondContact O-N 3.2Å; G1156-F1160 WeakPolarHBondContact O-CD2 3.48Å; G1156-F1160 PolarHBondContact O-N 2.66Å
1157	Y	90.8	Very high	87.6	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-57.6	-51.1	169.5	-174.1	-80	0	0	0	111.1	Y1102 I1106 F1110 V1153 L1155 M1159 F1160 E1161 W1259	Y1102-Y1157 WeakPolarHBondContact CE1-OH 3.4Å; I1106-Y1157 HydrophobicContact CB-CE1 3.73Å; I1106-Y1157 HydrophobicContact CG2-CD1 4.23Å; I1106-Y1157 HydrophobicContact CG2-CE1 3.39Å; F1110-Y1157 HydrophobicContact CD2-CD1 4.44Å; F1110-Y1157 AromaticContact CE2-CD1 3.86Å; F1110-Y1157 HydrophobicContact CE2-CD1 3.86Å; F1110-Y1157 AromaticContact CE2-CD2 3.92Å; F1110-Y1157 HydrophobicContact CE2-CD2 3.92Å; F1110-Y1157 HydrophobicContact CE2-CE1 4.03Å; F1110-Y1157 HydrophobicContact CE2-CE2 4.04Å; F1110-Y1157 AromaticContact CE2-CG 3.83Å; F1110-Y1157 HydrophobicContact CE2-CG 3.83Å; F1110-Y1157 HydrophobicContact CZ-CD2 4.43Å; F1110-Y1157 HydrophobicContact CZ-CE2 4.35Å; V1153-Y1157 PolarHBondContact O-N 3.16Å; V1153-Y1157 VanDerWaalsContact O-N 3.09Å; L1155-Y1157 VanDerWaalsContact C-N 3.33Å; L1155-Y1157 PolarHBondContact O-N 3.12Å; Y1157-M1159 PolarHBondContact O-N 3.24Å; Y1157-F1160 PolarHBondContact O-N 2.95Å; Y1157-E1161 HydrophobicContact CD1-CB 4.27Å; Y1157-E1161 HydrophobicContact CD2-CB 4.47Å; Y1157-E1161 HydrophobicContact CE1-CB 4.11Å; Y1157-E1161 HydrophobicContact CE1-CG 4.03Å; Y1157-E1161 HydrophobicContact CE2-CB 4.36Å; Y1157-E1161 HydrophobicContact CE2-CG 4.06Å; Y1157-E1161 HydrophobicContact CG-CB 4.43Å; Y1157-E1161 WeakPolarHBondContact O-CB 3.46Å; Y1157-E1161 PolarHBondContact O-N 3.46Å; Y1157-E1161 VanDerWaalsContact O-N 3.11Å; Y1157-W1259 HydrophobicContact CE2-CB 4.45Å
1158	G	87	Confident	88.5	Confident	0 Å²	0	38 Å²	38	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.7	-25.4	-179.6	0	0	0	0	0	114.8	Q416 R1103 T1107 S1154 L1155	Q416-G1158 VanDerWaalsContact NE2-C 3.26Å; Q416-G1158 PolarHBondContact NE2-O 2.97Å; R1103-G1158 WeakPolarHBondContact CB-O 3.28Å; R1103-G1158 WeakPolarHBondContact CD-O 3.38Å; T1107-G1158 WeakPolarHBondContact OG1-CA 3.46Å; S1154-G1158 PolarHBondContact O-N 3.01Å; L1155-G1158 CarbonylContact O-C 3.47Å; L1155-G1158 WeakPolarHBondContact O-CA 3.14Å; L1155-G1158 PolarHBondContact O-N 3.29Å
1159	M	88.3	Confident	89.1	Confident	28 Å²	28	36 Å²	36	14%	0.138	17%	0.165	C	C	.	.	H	α-helix	trans	-87.2	-45.8	178.1	-74.2	172	53.7	0	0	112.3	F415 L419 R1103 L1155 G1156 Y1157	F415-M1159 HydrophobicContact CE1-SD 4.36Å; L419-M1159 HydrophobicContact CD1-CE 3.57Å; L419-M1159 HydrophobicContact CD1-CG 4.01Å; L419-M1159 HydrophobicContact CD1-SD 3.53Å; L419-M1159 VanDerWaalsContact CD1-SD 3.53Å; R1103-M1159 PolarHBondContact NH1-O 3.46Å; L1155-M1159 HydrophobicContact CD1-CG 3.96Å; L1155-M1159 HydrophobicContact CD1-SD 3.62Å; L1155-M1159 HydrophobicContact CD2-SD 4.08Å; L1155-M1159 HydrophobicContact CG-CG 4.33Å; L1155-M1159 HydrophobicContact CG-SD 3.59Å; L1155-M1159 VanDerWaalsContact CG-SD 3.59Å; L1155-M1159 WeakPolarHBondContact O-CG 3.44Å; L1155-M1159 PolarHBondContact O-N 2.86Å; G1156-M1159 PolarHBondContact O-N 3.2Å; Y1157-M1159 PolarHBondContact O-N 3.24Å
1160	F	89.9	Confident	89.6	Confident	57 Å²	57	37 Å²	37	25%	0.25	17%	0.171	C	C	.	.	H	α-helix	trans	-115	-8.1	-161.4	-58.8	-67.2	0	0	0	116	F423 G1156 Y1157 R1162 N1264 M1266	F423-F1160 HydrophobicContact CZ-CE1 4.31Å; G1156-F1160 WeakPolarHBondContact O-CD2 3.48Å; G1156-F1160 PolarHBondContact O-N 2.66Å; Y1157-F1160 PolarHBondContact O-N 2.95Å; F1160-R1162 PolarHBondContact O-N 3.39Å; F1160-N1264 PolarHBondContact O-ND2 3.19Å; F1160-M1266 HydrophobicContact CD1-CB 4.21Å; F1160-M1266 HydrophobicContact CD1-CG 4.21Å; F1160-M1266 HydrophobicContact CD2-CB 3.47Å; F1160-M1266 VanDerWaalsContact CD2-CB 3.47Å; F1160-M1266 HydrophobicContact CD2-CG 4.25Å; F1160-M1266 HydrophobicContact CE1-CB 4.24Å; F1160-M1266 HydrophobicContact CE1-CG 3.95Å; F1160-M1266 HydrophobicContact CE2-CB 3.49Å; F1160-M1266 VanDerWaalsContact CE2-CB 3.49Å; F1160-M1266 HydrophobicContact CE2-CG 3.99Å; F1160-M1266 HydrophobicContact CG-CB 3.84Å; F1160-M1266 HydrophobicContact CG-CG 4.34Å; F1160-M1266 HydrophobicContact CZ-CB 3.88Å; F1160-M1266 HydrophobicContact CZ-CG 3.82Å; F1160-M1266 HydrophobicContact CZ-SD 4.39Å
1161	E	90.4	Very high	89.9	Confident	3 Å²	3	43 Å²	43	1%	0.014	20%	0.203	C	C	.	.			trans	-60.3	131.4	-178.2	174.4	61.7	-165.4	0	0	112.3	Y1102 R1103 Y1157 H1163 T1260 K1261	Y1102-E1161 HydrophobicContact CE1-CG 4.24Å; R1103-E1161 HydrophobicContact CG-CB 4.47Å; R1103-E1161 VanDerWaalsContact CZ-O 3.28Å; R1103-E1161 PolarHBondContact NE-O 3Å; R1103-E1161 PolarHBondContact NH2-O 3.33Å; Y1157-E1161 HydrophobicContact CD1-CB 4.27Å; Y1157-E1161 HydrophobicContact CD2-CB 4.47Å; Y1157-E1161 HydrophobicContact CE1-CB 4.11Å; Y1157-E1161 HydrophobicContact CE1-CG 4.03Å; Y1157-E1161 HydrophobicContact CE2-CB 4.36Å; Y1157-E1161 HydrophobicContact CE2-CG 4.06Å; Y1157-E1161 HydrophobicContact CG-CB 4.43Å; Y1157-E1161 WeakPolarHBondContact O-CB 3.46Å; Y1157-E1161 PolarHBondContact O-N 3.46Å; Y1157-E1161 VanDerWaalsContact O-N 3.11Å; E1161-H1163 HydrophobicContact CG-CB 4.26Å; E1161-H1163 VanDerWaalsContact OE1-CA 3.3Å; E1161-H1163 WeakPolarHBondContact OE1-CA 3.45Å; E1161-H1163 WeakPolarHBondContact OE1-CB 3.3Å; E1161-H1163 PolarHBondContact OE1-N 3.12Å; E1161-T1260 WeakPolarHBondContact OE2-CG2 3.4Å; E1161-K1261 WeakPolarHBondContact OE1-CB 3.24Å; E1161-K1261 PolarHBondContact OE1-N 3.14Å; E1161-K1261 VanDerWaalsContact OE1-N 3.12Å; E1161-K1261 PolarHBondContact OE2-N 2.72Å
1162	R	89.5	Confident	90.3	Very high	115 Å²	115	45.4 Å²	45.4	43%	0.434	21%	0.213	S	C	.	.			trans	-123.7	66.4	173.3	-61.9	179.3	-62.5	-178.7	1.5	110.8	W1099 F1160 I1164 D1262 N1264	W1099-R1162 HydrophobicContact CH2-CG 4.21Å; W1099-R1162 HydrophobicContact CZ2-CB 4.29Å; W1099-R1162 HydrophobicContact CZ2-CG 4.06Å; F1160-R1162 PolarHBondContact O-N 3.39Å; R1162-I1164 PolarHBondContact O-N 2.85Å; R1162-D1262 HydrophobicContact CB-CB 4.28Å; R1162-D1262 WeakPolarHBondContact CB-OD2 3.33Å; R1162-D1262 IonicContact CZ-OD2 3.83Å; R1162-D1262 IonicContact NE-OD2 3.7Å; R1162-D1262 PolarHBondContact NE-OD2 3.13Å; R1162-D1262 IonicContact NH2-OD1 3.63Å; R1162-D1262 PolarHBondContact NH2-OD1 2.8Å; R1162-D1262 IonicContact NH2-OD2 3.89Å; R1162-D1262 PolarHBondContact NH2-OD2 3.19Å; R1162-N1264 PolarHBondContact NH2-OD1 2.89Å; R1162-N1264 VanDerWaalsContact NH2-OD1 3.1Å
1163	H	89.8	Confident	90.4	Very high	15 Å²	15	43.2 Å²	43.2	7%	0.069	20%	0.202	C	C	.	.	S	Bend	trans	-55.4	-16.6	-176.4	72.4	-77.6	0	0	0	116.7	H1098 W1099 Y1102 E1161 K1261	H1098-H1163 AromaticContact CE1-CE1 3.76Å; H1098-H1163 AromaticContact CE1-NE2 3.16Å; H1098-H1163 PolarHBondContact CE1-NE2 3.01Å; H1098-H1163 AromaticContact ND1-CE1 3.46Å; H1098-H1163 PolarHBondContact ND1-CE1 3.28Å; H1098-H1163 AromaticContact ND1-NE2 3.34Å; H1098-H1163 PolarHBondContact ND1-NE2 3.01Å; W1099-H1163 AromaticContact CD1-CE1 3.9Å; Y1102-H1163 VanDerWaalsContact CB-CE1 3.46Å; Y1102-H1163 WeakPolarHBondContact CB-CE1 3.4Å; Y1102-H1163 HydrophobicContact CD1-CB 4.08Å; Y1102-H1163 AromaticContact CD1-CE1 3.66Å; Y1102-H1163 AromaticContact CD1-CG 3.58Å; Y1102-H1163 AromaticContact CD1-ND1 3.23Å; Y1102-H1163 WeakPolarHBondContact CD1-ND1 3.22Å; Y1102-H1163 AromaticContact CD2-CD2 3.9Å; Y1102-H1163 AromaticContact CD2-CE1 3.83Å; Y1102-H1163 AromaticContact CD2-NE2 3.73Å; Y1102-H1163 HydrophobicContact CE1-CB 3.55Å; Y1102-H1163 AromaticContact CE1-CG 3.51Å; Y1102-H1163 AromaticContact CE1-ND1 3.68Å; Y1102-H1163 AromaticContact CE2-CD2 3.9Å; Y1102-H1163 AromaticContact CG-CE1 3.36Å; Y1102-H1163 AromaticContact CG-CG 3.89Å; Y1102-H1163 AromaticContact CG-ND1 3.47Å; Y1102-H1163 AromaticContact CG-NE2 3.76Å; Y1102-H1163 AromaticContact CZ-CG 3.79Å; E1161-H1163 HydrophobicContact CG-CB 4.26Å; E1161-H1163 VanDerWaalsContact OE1-CA 3.3Å; E1161-H1163 WeakPolarHBondContact OE1-CA 3.45Å; E1161-H1163 WeakPolarHBondContact OE1-CB 3.3Å; E1161-H1163 PolarHBondContact OE1-N 3.12Å; H1163-K1261 HydrophobicContact CB-CD 4.1Å; H1163-K1261 WeakPolarHBondContact O-CD 3.39Å
1164	I	91.5	Very high	90.5	Very high	39 Å²	39	49.3 Å²	49.3	20%	0.2	23%	0.226	C	C	.	.	S	Bend	trans	-143.6	135.7	168.7	-59	171.8	0	0	0	107.4	W1099 R1162 I1168 L1169 L1175	W1099-I1164 PolarHBondContact NE1-O 3.17Å; R1162-I1164 PolarHBondContact O-N 2.85Å; I1164-I1168 HydrophobicContact CG2-CB 3.89Å; I1164-I1168 HydrophobicContact CG2-CG2 3.83Å; I1164-L1169 HydrophobicContact CB-CD1 4.35Å; I1164-L1169 HydrophobicContact CB-CD2 4.21Å; I1164-L1169 HydrophobicContact CB-CG 4.11Å; I1164-L1169 HydrophobicContact CD1-CD2 4.14Å; I1164-L1169 HydrophobicContact CG2-CD1 4.5Å; I1164-L1169 HydrophobicContact CG2-CD2 4.03Å; I1164-L1169 HydrophobicContact CG2-CG 3.79Å; I1164-L1175 HydrophobicContact CD1-CD1 4.38Å
1165	E	91.3	Very high	90.6	Very high	102 Å²	102	50.9 Å²	50.9	48%	0.477	23%	0.233	S	C	.	.			trans	-61.2	144.4	176.6	-163	-160.6	156.4	0	0	112.3	K1167 I1168 L1169	E1165-K1167 PolarHBondContact O-N 3.28Å; E1165-K1167 WeakPolarHBondContact OE1-CD 3.49Å; E1165-I1168 HydrophobicContact CB-CD1 3.98Å; E1165-I1168 HydrophobicContact CB-CG1 4.16Å; E1165-I1168 WeakPolarHBondContact O-CB 3.47Å; E1165-I1168 PolarHBondContact O-N 3.07Å; E1165-I1168 VanDerWaalsContact O-N 3.12Å; E1165-L1169 PolarHBondContact O-N 2.98Å
1166	E	92.6	Very high	90.7	Very high	53 Å²	53	50.4 Å²	50.4	25%	0.248	23%	0.231	C	C	.	.	H	α-helix	trans	-50	-50.7	179	173.6	177.9	135.1	0	0	113.7	R1091 L1095 W1099 I1168 L1169 L1170	R1091-E1166 IonicContact CZ-OE1 3.18Å; R1091-E1166 IonicContact CZ-OE2 3.21Å; R1091-E1166 VanDerWaalsContact NH1-CD 3.28Å; R1091-E1166 IonicContact NH1-OE1 2.68Å; R1091-E1166 PolarHBondContact NH1-OE1 3.4Å; R1091-E1166 IonicContact NH1-OE2 3.21Å; R1091-E1166 IonicContact NH2-OE1 3.55Å; R1091-E1166 PolarHBondContact NH2-OE1 3.26Å; R1091-E1166 IonicContact NH2-OE2 2.69Å; R1091-E1166 PolarHBondContact NH2-OE2 3.31Å; L1095-E1166 HydrophobicContact CD1-CB 3.83Å; L1095-E1166 HydrophobicContact CD1-CG 3.76Å; L1095-E1166 HydrophobicContact CD2-CG 3.74Å; L1095-E1166 HydrophobicContact CG-CG 4.39Å; W1099-E1166 HydrophobicContact CH2-CB 4.15Å; W1099-E1166 HydrophobicContact CZ2-CB 4.22Å; E1166-I1168 PolarHBondContact O-N 3.13Å; E1166-L1169 PolarHBondContact O-N 2.84Å; E1166-L1170 HydrophobicContact CG-CD1 3.95Å; E1166-L1170 PolarHBondContact O-N 3.05Å
1167	K	92.1	Very high	90.5	Very high	139 Å²	139	55.4 Å²	55.4	60%	0.604	25%	0.252	S	S	*	.	H	α-helix	trans	-59.4	-37.2	-178	-65.8	179.2	-174.9	166.3	0	111.6	E1165 N1171	E1165-K1167 PolarHBondContact O-N 3.28Å; E1165-K1167 WeakPolarHBondContact OE1-CD 3.49Å; K1167-N1171 WeakPolarHBondContact O-CB 3.21Å; K1167-N1171 PolarHBondContact O-N 2.96Å; K1167-N1171 PolarHBondContact O-ND2 3.44Å
1168	I	93.6	Very high	90.2	Very high	68 Å²	68	58.7 Å²	58.7	35%	0.349	28%	0.28	S	S	.	.	H	α-helix	trans	-69.5	-43.2	-180	-58.9	175.6	0	0	0	110.3	I1164 E1165 E1166 N1171 K1172 L1175	I1164-I1168 HydrophobicContact CG2-CB 3.89Å; I1164-I1168 HydrophobicContact CG2-CG2 3.83Å; E1165-I1168 HydrophobicContact CB-CD1 3.98Å; E1165-I1168 HydrophobicContact CB-CG1 4.16Å; E1165-I1168 WeakPolarHBondContact O-CB 3.47Å; E1165-I1168 PolarHBondContact O-N 3.07Å; E1165-I1168 VanDerWaalsContact O-N 3.12Å; E1166-I1168 PolarHBondContact O-N 3.13Å; I1168-N1171 PolarHBondContact O-N 3.47Å; I1168-K1172 HydrophobicContact CG2-CD 4.19Å; I1168-K1172 WeakPolarHBondContact O-CB 3.47Å; I1168-K1172 PolarHBondContact O-N 3.32Å; I1168-L1175 HydrophobicContact CG2-CD1 4.07Å
1169	L	91.9	Very high	90.1	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.016	28%	0.282	C	S	.	.	H	α-helix	trans	-62.9	-42.7	176.6	-72.3	170.4	0	0	0	112.3	L1095 H1098 W1099 I1164 E1165 E1166 L1175	L1095-L1169 HydrophobicContact CD1-CB 4.49Å; L1095-L1169 HydrophobicContact CD1-CD1 3.88Å; H1098-L1169 HydrophobicContact CB-CD1 4.49Å; W1099-L1169 VanDerWaalsContact NE1-CD1 3.34Å; I1164-L1169 HydrophobicContact CB-CD1 4.35Å; I1164-L1169 HydrophobicContact CB-CD2 4.21Å; I1164-L1169 HydrophobicContact CB-CG 4.11Å; I1164-L1169 HydrophobicContact CD1-CD2 4.14Å; I1164-L1169 HydrophobicContact CG2-CD1 4.5Å; I1164-L1169 HydrophobicContact CG2-CD2 4.03Å; I1164-L1169 HydrophobicContact CG2-CG 3.79Å; E1165-L1169 PolarHBondContact O-N 2.98Å; E1166-L1169 PolarHBondContact O-N 2.84Å; L1169-L1175 HydrophobicContact CD2-CB 4.3Å; L1169-L1175 HydrophobicContact CD2-CD1 4.22Å
1170	L	92.2	Very high	89.6	Confident	26 Å²	26	58.6 Å²	58.6	14%	0.136	28%	0.281	C	S	.	.	H	α-helix	trans	-74	-25.6	179.8	-65.9	175.6	0	0	0	113.6	K1090 L1095 E1166	K1090-L1170 WeakPolarHBondContact CE-O 3.47Å; K1090-L1170 HydrophobicContact CG-CD2 4.4Å; K1090-L1170 PolarHBondContact NZ-O 3.21Å; L1095-L1170 HydrophobicContact CB-CD2 4.46Å; E1166-L1170 HydrophobicContact CG-CD1 3.95Å; E1166-L1170 PolarHBondContact O-N 3.05Å
1171	N	92.6	Very high	89	Confident	127 Å²	127	61.9 Å²	61.9	68%	0.679	29%	0.293	S	S	*	.	H	α-helix	trans	-91.7	-18.7	177.4	-70.5	-12	0	0	0	113.8	K1167 I1168	K1167-N1171 WeakPolarHBondContact O-CB 3.21Å; K1167-N1171 PolarHBondContact O-N 2.96Å; K1167-N1171 PolarHBondContact O-ND2 3.44Å; I1168-N1171 PolarHBondContact O-N 3.47Å
1172	K	92.4	Very high	88.4	Confident	100 Å²	100	62.3 Å²	62.3	44%	0.435	30%	0.295	S	S	.	.			trans	-125.5	71.4	178.6	-65.4	176.7	178.4	177.2	0	111.2	I1168 Y1174 L1175	I1168-K1172 HydrophobicContact CG2-CD 4.19Å; I1168-K1172 WeakPolarHBondContact O-CB 3.47Å; I1168-K1172 PolarHBondContact O-N 3.32Å; K1172-Y1174 HydrophobicContact CB-CD1 4.25Å; K1172-Y1174 HydrophobicContact CB-CE1 3.73Å; K1172-Y1174 HydrophobicContact CD-CE1 4.43Å; K1172-Y1174 HydrophobicContact CG-CE1 4Å; K1172-Y1174 PolarHBondContact O-N 3.14Å; K1172-L1175 HydrophobicContact CB-CD1 3.81Å; K1172-L1175 HydrophobicContact CB-CG 4.07Å; K1172-L1175 WeakPolarHBondContact O-CB 3.24Å; K1172-L1175 WeakPolarHBondContact O-CG 3.41Å; K1172-L1175 PolarHBondContact O-N 3.45Å; K1172-L1175 VanDerWaalsContact O-N 3.07Å
1173	P	90	Very high	87.9	Confident	6 Å²	6	57.8 Å²	57.8	4%	0.039	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-57.7	-28.8	-173.3	-25.9	35.8	0	0	0	114.6	A807 E810 A811 L1094 L1175 Y1176	A807-P1173 HydrophobicContact CB-CB 4.23Å; A807-P1173 HydrophobicContact CB-CG 3.72Å; A807-P1173 WeakPolarHBondContact O-CB 3.18Å; E810-P1173 HydrophobicContact CB-CB 4.05Å; E810-P1173 HydrophobicContact CB-CG 4.42Å; A811-P1173 WeakPolarHBondContact CA-O 3.28Å; A811-P1173 HydrophobicContact CB-CB 4.23Å; A811-P1173 WeakPolarHBondContact CB-O 3.48Å; L1094-P1173 HydrophobicContact CD1-CB 3.83Å; L1094-P1173 HydrophobicContact CD1-CG 4.16Å; P1173-L1175 PolarHBondContact O-N 2.87Å; P1173-Y1176 VanDerWaalsContact O-CB 3.29Å; P1173-Y1176 WeakPolarHBondContact O-CB 3.38Å; P1173-Y1176 PolarHBondContact O-N 3.45Å; P1173-Y1176 VanDerWaalsContact O-N 3.07Å
1174	Y	89.8	Confident	87.7	Confident	132 Å²	132	58 Å²	58	52%	0.518	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-58.4	-18.9	178	67.9	-101	0	0	0	114.1	K1172 Y1176 K1177	K1172-Y1174 HydrophobicContact CB-CD1 4.25Å; K1172-Y1174 HydrophobicContact CB-CE1 3.73Å; K1172-Y1174 HydrophobicContact CD-CE1 4.43Å; K1172-Y1174 HydrophobicContact CG-CE1 4Å; K1172-Y1174 PolarHBondContact O-N 3.14Å; Y1174-Y1176 PolarHBondContact O-N 3.07Å; Y1174-K1177 VanDerWaalsContact O-CB 3.22Å; Y1174-K1177 WeakPolarHBondContact O-CB 3.37Å; Y1174-K1177 PolarHBondContact O-N 3.47Å; Y1174-K1177 VanDerWaalsContact O-N 3.1Å
1175	L	91	Very high	87.4	Confident	38 Å²	38	56.4 Å²	56.4	20%	0.199	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-59.7	-31.3	174.6	-68.4	173.1	0	0	0	112.1	I1164 I1168 L1169 K1172 P1173 K1177 A1178	I1164-L1175 HydrophobicContact CD1-CD1 4.38Å; I1168-L1175 HydrophobicContact CG2-CD1 4.07Å; L1169-L1175 HydrophobicContact CD2-CB 4.3Å; L1169-L1175 HydrophobicContact CD2-CD1 4.22Å; K1172-L1175 HydrophobicContact CB-CD1 3.81Å; K1172-L1175 HydrophobicContact CB-CG 4.07Å; K1172-L1175 WeakPolarHBondContact O-CB 3.24Å; K1172-L1175 WeakPolarHBondContact O-CG 3.41Å; K1172-L1175 PolarHBondContact O-N 3.45Å; K1172-L1175 VanDerWaalsContact O-N 3.07Å; P1173-L1175 PolarHBondContact O-N 2.87Å; L1175-K1177 PolarHBondContact O-N 3.47Å; L1175-K1177 VanDerWaalsContact O-N 3.13Å; L1175-A1178 WeakPolarHBondContact O-CB 3.33Å; L1175-A1178 PolarHBondContact O-N 2.93Å
1176	Y	89.3	Confident	87.1	Confident	5 Å²	5	56.9 Å²	56.9	2%	0.02	28%	0.276	C	S	.	.	H	α-helix	trans	-55	-32.4	174.2	-170.9	-91.9	0	0	0	113.1	L450 G451 Q452 I453 A811 I813 F1093 L1094 P1173 Y1174 A1178 I1179 S1180	L450-Y1176 PolarHBondContact O-OH 2.85Å; G451-Y1176 VanDerWaalsContact C-OH 3.24Å; Q452-Y1176 PolarHBondContact N-OH 3.35Å; I453-Y1176 WeakPolarHBondContact CB-OH 3.07Å; I453-Y1176 PolarHBondContact N-OH 3.36Å; A811-Y1176 HydrophobicContact CB-CD1 4.2Å; A811-Y1176 HydrophobicContact CB-CG 4.26Å; I813-Y1176 HydrophobicContact CD1-CD1 4.39Å; I813-Y1176 HydrophobicContact CD1-CE1 3.99Å; I813-Y1176 HydrophobicContact CG1-CD1 4.46Å; I813-Y1176 HydrophobicContact CG1-CE1 4.11Å; F1093-Y1176 VanDerWaalsContact O-CE2 3.31Å; F1093-Y1176 WeakPolarHBondContact O-CE2 3.33Å; L1094-Y1176 HydrophobicContact CD2-CD2 3.97Å; L1094-Y1176 HydrophobicContact CD2-CG 4.03Å; P1173-Y1176 VanDerWaalsContact O-CB 3.29Å; P1173-Y1176 WeakPolarHBondContact O-CB 3.38Å; P1173-Y1176 PolarHBondContact O-N 3.45Å; P1173-Y1176 VanDerWaalsContact O-N 3.07Å; Y1174-Y1176 PolarHBondContact O-N 3.07Å; Y1176-A1178 PolarHBondContact O-N 3.24Å; Y1176-I1179 VanDerWaalsContact O-CG1 3.25Å; Y1176-I1179 WeakPolarHBondContact O-CG1 3.4Å; Y1176-I1179 PolarHBondContact O-N 3.48Å; Y1176-S1180 PolarHBondContact O-N 3.44Å
1177	K	84.7	Confident	86.8	Confident	105 Å²	105	58.1 Å²	58.1	46%	0.457	30%	0.295	S	S	.	.	H	α-helix	trans	-64.4	-24.8	176.1	-166.3	175.4	178.4	179.2	0	112.9	Y1174 L1175 S1180	Y1174-K1177 VanDerWaalsContact O-CB 3.22Å; Y1174-K1177 WeakPolarHBondContact O-CB 3.37Å; Y1174-K1177 PolarHBondContact O-N 3.47Å; Y1174-K1177 VanDerWaalsContact O-N 3.1Å; L1175-K1177 PolarHBondContact O-N 3.47Å; L1175-K1177 VanDerWaalsContact O-N 3.13Å; K1177-S1180 PolarHBondContact O-OG 3.09Å
1178	A	84.2	Confident	86.7	Confident	72 Å²	72	60 Å²	60	60%	0.595	30%	0.298	S	S	*	.	H	α-helix	trans	-69.7	-38	-178.6	0	0	0	0	0	112.8	L1175 Y1176 A1183	L1175-A1178 WeakPolarHBondContact O-CB 3.33Å; L1175-A1178 PolarHBondContact O-N 2.93Å; Y1176-A1178 PolarHBondContact O-N 3.24Å; A1178-A1183 VanDerWaalsContact O-CB 3.28Å; A1178-A1183 WeakPolarHBondContact O-CB 3.33Å
1179	I	85.6	Confident	86.6	Confident	8 Å²	8	59.6 Å²	59.6	4%	0.041	29%	0.293	C	S	.	.	H	α-helix	trans	-84.3	-21.3	177.1	60.6	160.7	0	0	0	113.4	G451 Q452 H1098 Y1101 Y1176 A1183	G451-I1179 WeakPolarHBondContact O-CD1 3.2Å; Q452-I1179 PolarHBondContact NE2-O 3.44Å; H1098-I1179 HydrophobicContact CB-CD1 4.13Å; H1098-I1179 WeakPolarHBondContact CD2-CD1 3.37Å; Y1101-I1179 HydrophobicContact CD1-CB 3.82Å; Y1101-I1179 HydrophobicContact CD1-CD1 3.95Å; Y1101-I1179 HydrophobicContact CD1-CG1 4.42Å; Y1101-I1179 HydrophobicContact CD1-CG2 4.34Å; Y1101-I1179 HydrophobicContact CE1-CB 3.99Å; Y1101-I1179 HydrophobicContact CG-CD1 4.39Å; Y1176-I1179 VanDerWaalsContact O-CG1 3.25Å; Y1176-I1179 WeakPolarHBondContact O-CG1 3.4Å; Y1176-I1179 PolarHBondContact O-N 3.48Å; I1179-A1183 PolarHBondContact O-N 3.23Å
1180	S	77.5	Confident	86.6	Confident	18 Å²	18	60.3 Å²	60.3	13%	0.126	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	159.2	-178.9	77.2	0	0	0	0	113.6	Y1176 K1177 Q1182	Y1176-S1180 PolarHBondContact O-N 3.44Å; K1177-S1180 PolarHBondContact O-OG 3.09Å; S1180-Q1182 VanDerWaalsContact C-N 3.27Å; S1180-Q1182 PolarHBondContact O-N 3.25Å
1181	Y	75.9	Confident	86.6	Confident	126 Å²	126	64.3 Å²	64.3	49%	0.494	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	41.1	-171.9	-57.2	-88.1	0	0	0	112.6	Q452 K454 A1183	Q452-Y1181 VanDerWaalsContact OE1-N 3.13Å; K454-Y1181 HydrophobicContact CD-CE1 4.36Å; K454-Y1181 WeakPolarHBondContact CE-OH 3.46Å; K454-Y1181 PolarHBondContact NZ-OH 3.41Å; Y1181-A1183 VanDerWaalsContact C-N 3.28Å; Y1181-A1183 PolarHBondContact O-N 3.49Å
1182	Q	79.3	Confident	86.7	Confident	12 Å²	12	61.8 Å²	61.8	6%	0.056	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.2	49.7	177.4	-62.9	-179.2	-11	0	0	112.3	T339 Q452 Y1101 S1180 N1184 L1185 K1186	T339-Q1182 PolarHBondContact OG1-NE2 2.82Å; Q452-Q1182 HydrophobicContact CG-CG 4.35Å; Y1101-Q1182 WeakPolarHBondContact OH-CA 3.26Å; S1180-Q1182 VanDerWaalsContact C-N 3.27Å; S1180-Q1182 PolarHBondContact O-N 3.25Å; Q1182-N1184 VanDerWaalsContact C-N 3.3Å; Q1182-N1184 PolarHBondContact O-N 3.06Å; Q1182-L1185 PolarHBondContact O-N 3.34Å; Q1182-K1186 PolarHBondContact O-N 3.02Å
1183	A	78.7	Confident	86.8	Confident	19 Å²	19	57.4 Å²	57.4	16%	0.157	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-55.6	-43.4	-166.8	0	0	0	0	0	113.3	Y1101 A1178 I1179 Y1181 L1185	Y1101-A1183 PolarHBondContact OH-N 3.27Å; A1178-A1183 VanDerWaalsContact O-CB 3.28Å; A1178-A1183 WeakPolarHBondContact O-CB 3.33Å; I1179-A1183 PolarHBondContact O-N 3.23Å; Y1181-A1183 VanDerWaalsContact C-N 3.28Å; Y1181-A1183 PolarHBondContact O-N 3.49Å; A1183-L1185 VanDerWaalsContact C-N 3.26Å; A1183-L1185 PolarHBondContact O-N 3.4Å
1184	N	85.3	Confident	87	Confident	21 Å²	21	58.7 Å²	58.7	11%	0.112	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-69.4	-12.4	178.1	-60.9	-0.7	0	0	0	114.4	Y1101 T1105 Q1182 Y1189	Y1101-N1184 HydrophobicContact CE1-CB 4.33Å; T1105-N1184 WeakPolarHBondContact OG1-CB 3.43Å; T1105-N1184 PolarHBondContact OG1-ND2 3.18Å; Q1182-N1184 VanDerWaalsContact C-N 3.3Å; Q1182-N1184 PolarHBondContact O-N 3.06Å; N1184-Y1189 VanDerWaalsContact O-CD1 3.27Å; N1184-Y1189 WeakPolarHBondContact O-CD1 3.37Å
1185	L	85.4	Confident	87.2	Confident	5 Å²	5	56.3 Å²	56.3	3%	0.026	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-117.4	20.4	-177.3	-66.1	178	0	0	0	113	R340 L343 T1105 M1108 Q1182 A1183 I1190	R340-L1185 HydrophobicContact CG-CD1 4.04Å; L343-L1185 HydrophobicContact CD1-CB 4.46Å; L343-L1185 HydrophobicContact CD2-CB 3.79Å; L343-L1185 HydrophobicContact CD2-CD1 3.55Å; L343-L1185 HydrophobicContact CD2-CG 4.19Å; T1105-L1185 HydrophobicContact CG2-CD1 3.51Å; T1105-L1185 HydrophobicContact CG2-CD2 4.46Å; T1105-L1185 HydrophobicContact CG2-CG 3.79Å; M1108-L1185 HydrophobicContact SD-CD1 4.43Å; Q1182-L1185 PolarHBondContact O-N 3.34Å; A1183-L1185 VanDerWaalsContact C-N 3.26Å; A1183-L1185 PolarHBondContact O-N 3.4Å; L1185-I1190 WeakPolarHBondContact O-CD1 3.43Å
1186	K	85.7	Confident	87.4	Confident	111 Å²	111	56.2 Å²	56.2	48%	0.483	28%	0.283	S	S	.	.			trans	-67.1	137.2	170.2	-72.1	170	-177.9	156.5	0	110.2	Q1182 W1188 Y1189 I1190	Q1182-K1186 PolarHBondContact O-N 3.02Å; K1186-W1188 VanDerWaalsContact C-N 3.27Å; K1186-W1188 PolarHBondContact O-N 2.94Å; K1186-W1188 VanDerWaalsContact O-N 3.15Å; K1186-Y1189 WeakPolarHBondContact O-CA 3.31Å; K1186-Y1189 WeakPolarHBondContact O-CB 3.49Å; K1186-Y1189 PolarHBondContact O-N 2.93Å; K1186-I1190 PolarHBondContact O-N 3.44Å; K1186-I1190 VanDerWaalsContact O-N 3.07Å
1187	A	86	Confident	87.7	Confident	80 Å²	80	56 Å²	56	66%	0.661	28%	0.282	S	S	*	.	H	α-helix	trans	-51.4	-41	-177.8	0	0	0	0	0	114	Y1189 I1190 F1191	A1187-Y1189 VanDerWaalsContact C-N 3.33Å; A1187-Y1189 PolarHBondContact O-N 3.32Å; A1187-I1190 PolarHBondContact O-N 3.32Å; A1187-F1191 WeakPolarHBondContact O-CB 3.32Å; A1187-F1191 PolarHBondContact O-N 3.41Å
1188	W	89.8	Confident	88.2	Confident	177 Å²	177	54.9 Å²	54.9	67%	0.67	28%	0.28	S	S	*	.	H	α-helix	trans	-60.4	-39.5	174.4	171.9	-105.1	0	0	0	113.2	K1186 F1191 L1192	K1186-W1188 VanDerWaalsContact C-N 3.27Å; K1186-W1188 PolarHBondContact O-N 2.94Å; K1186-W1188 VanDerWaalsContact O-N 3.15Å; W1188-F1191 HydrophobicContact CE3-CD1 4.12Å; W1188-F1191 AromaticContact CZ3-CD1 3.92Å; W1188-F1191 HydrophobicContact CZ3-CD1 3.92Å; W1188-F1191 HydrophobicContact CZ3-CE1 4.17Å; W1188-F1191 PolarHBondContact O-N 3.48Å; W1188-L1192 HydrophobicContact CH2-CD2 4.39Å; W1188-L1192 HydrophobicContact CZ2-CD1 4.43Å; W1188-L1192 HydrophobicContact CZ2-CD2 4Å; W1188-L1192 HydrophobicContact CZ2-CG 4.38Å; W1188-L1192 PolarHBondContact O-N 3.26Å
1189	Y	90.6	Very high	88.7	Confident	61 Å²	61	58.9 Å²	58.9	24%	0.239	28%	0.28	C	S	.	.	H	α-helix	trans	-71	-43.9	179.3	-167.4	-113.3	0	0	0	110.7	L1109 N1184 K1186 A1187 F1191 L1192 W1193	L1109-Y1189 HydrophobicContact CD1-CD1 3.92Å; L1109-Y1189 HydrophobicContact CD1-CE1 3.56Å; N1184-Y1189 VanDerWaalsContact O-CD1 3.27Å; N1184-Y1189 WeakPolarHBondContact O-CD1 3.37Å; K1186-Y1189 WeakPolarHBondContact O-CA 3.31Å; K1186-Y1189 WeakPolarHBondContact O-CB 3.49Å; K1186-Y1189 PolarHBondContact O-N 2.93Å; A1187-Y1189 VanDerWaalsContact C-N 3.33Å; A1187-Y1189 PolarHBondContact O-N 3.32Å; Y1189-F1191 VanDerWaalsContact C-N 3.28Å; Y1189-F1191 PolarHBondContact O-N 3.3Å; Y1189-L1192 WeakPolarHBondContact O-CB 3.45Å; Y1189-L1192 PolarHBondContact O-N 2.93Å; Y1189-L1192 VanDerWaalsContact O-N 3.15Å; Y1189-W1193 AromaticContact CD1-NE1 3.84Å; Y1189-W1193 AromaticContact CE1-CD1 3.89Å; Y1189-W1193 AromaticContact CE1-NE1 3.25Å; Y1189-W1193 AromaticContact CZ-NE1 3.37Å; Y1189-W1193 PolarHBondContact O-N 3.25Å
1190	I	91.5	Very high	89.2	Confident	17 Å²	17	59.9 Å²	59.9	9%	0.087	28%	0.284	C	S	.	.	H	α-helix	trans	-57.1	-42.7	173.7	-62.4	164.4	0	0	0	110.7	I347 L1109 L1185 K1186 A1187 L1192 W1193 V1194	I347-I1190 HydrophobicContact CD1-CD1 3.48Å; I347-I1190 VanDerWaalsContact CD1-CD1 3.48Å; I347-I1190 HydrophobicContact CG1-CD1 4.08Å; L1109-I1190 HydrophobicContact CD2-CG1 3.95Å; L1185-I1190 WeakPolarHBondContact O-CD1 3.43Å; K1186-I1190 PolarHBondContact O-N 3.44Å; K1186-I1190 VanDerWaalsContact O-N 3.07Å; A1187-I1190 PolarHBondContact O-N 3.32Å; I1190-L1192 VanDerWaalsContact C-N 3.32Å; I1190-L1192 PolarHBondContact O-N 3.17Å; I1190-W1193 PolarHBondContact O-N 2.86Å; I1190-W1193 VanDerWaalsContact O-N 3.09Å; I1190-V1194 HydrophobicContact CG2-CG2 4.39Å; I1190-V1194 WeakPolarHBondContact O-CG2 3.41Å; I1190-V1194 PolarHBondContact O-N 3.35Å
1191	F	92.7	Very high	89.9	Confident	110 Å²	110	59 Å²	59	48%	0.482	28%	0.278	S	S	.	.	H	α-helix	trans	-58.9	-38.8	177.5	179.3	-108.9	0	0	0	113.1	A1187 W1188 Y1189 V1194 I1195	A1187-F1191 WeakPolarHBondContact O-CB 3.32Å; A1187-F1191 PolarHBondContact O-N 3.41Å; W1188-F1191 HydrophobicContact CE3-CD1 4.12Å; W1188-F1191 AromaticContact CZ3-CD1 3.92Å; W1188-F1191 HydrophobicContact CZ3-CD1 3.92Å; W1188-F1191 HydrophobicContact CZ3-CE1 4.17Å; W1188-F1191 PolarHBondContact O-N 3.48Å; Y1189-F1191 VanDerWaalsContact C-N 3.28Å; Y1189-F1191 PolarHBondContact O-N 3.3Å; F1191-V1194 PolarHBondContact O-N 3.42Å; F1191-I1195 HydrophobicContact CD1-CD1 3.96Å; F1191-I1195 HydrophobicContact CE1-CD1 3.43Å; F1191-I1195 VanDerWaalsContact CE1-CD1 3.43Å; F1191-I1195 HydrophobicContact CE1-CG1 4.41Å; F1191-I1195 HydrophobicContact CE2-CD1 4.3Å; F1191-I1195 HydrophobicContact CZ-CD1 3.63Å; F1191-I1195 HydrophobicContact CZ-CG1 4.29Å; F1191-I1195 PolarHBondContact O-N 3.34Å
1192	L	94.4	Very high	90.8	Very high	75 Å²	75	57.7 Å²	57.7	39%	0.393	28%	0.275	S	S	.	.	H	α-helix	trans	-62.6	-41.7	173.4	-66	172.3	0	0	0	112	W1188 Y1189 I1190 V1194 I1195 D1196	W1188-L1192 HydrophobicContact CH2-CD2 4.39Å; W1188-L1192 HydrophobicContact CZ2-CD1 4.43Å; W1188-L1192 HydrophobicContact CZ2-CD2 4Å; W1188-L1192 HydrophobicContact CZ2-CG 4.38Å; W1188-L1192 PolarHBondContact O-N 3.26Å; Y1189-L1192 WeakPolarHBondContact O-CB 3.45Å; Y1189-L1192 PolarHBondContact O-N 2.93Å; Y1189-L1192 VanDerWaalsContact O-N 3.15Å; I1190-L1192 VanDerWaalsContact C-N 3.32Å; I1190-L1192 PolarHBondContact O-N 3.17Å; L1192-V1194 VanDerWaalsContact C-N 3.33Å; L1192-V1194 PolarHBondContact O-N 3.32Å; L1192-I1195 PolarHBondContact O-N 2.72Å; L1192-D1196 WeakPolarHBondContact O-CB 3.41Å; L1192-D1196 PolarHBondContact O-N 3.05Å
1193	W	94.4	Very high	91.5	Very high	8 Å²	8	59.7 Å²	59.7	3%	0.03	29%	0.286	C	S	.	.	H	α-helix	trans	-68.3	-29.5	176	-76.6	89.5	0	0	0	113.3	L1109 F1110 H1113 Y1189 I1190 G1197 W1259	L1109-W1193 HydrophobicContact CB-CD2 3.95Å; L1109-W1193 HydrophobicContact CB-CE3 4.32Å; L1109-W1193 HydrophobicContact CB-CG 4.26Å; L1109-W1193 HydrophobicContact CB-CH2 4.46Å; L1109-W1193 HydrophobicContact CB-CZ2 4.2Å; L1109-W1193 HydrophobicContact CD1-CZ2 4.34Å; L1109-W1193 HydrophobicContact CD2-CB 4.4Å; L1109-W1193 HydrophobicContact CD2-CG 4.09Å; F1110-W1193 HydrophobicContact CD1-CH2 4.02Å; F1110-W1193 AromaticContact CD1-CZ3 3.77Å; F1110-W1193 HydrophobicContact CD1-CZ3 3.77Å; F1110-W1193 AromaticContact CE1-CH2 3.77Å; F1110-W1193 HydrophobicContact CE1-CH2 3.77Å; F1110-W1193 AromaticContact CE1-CZ3 3.85Å; F1110-W1193 HydrophobicContact CE1-CZ3 3.85Å; F1110-W1193 HydrophobicContact CZ-CH2 4.3Å; H1113-W1193 HydrophobicContact CB-CE3 3.89Å; H1113-W1193 HydrophobicContact CB-CZ3 4.44Å; Y1189-W1193 AromaticContact CD1-NE1 3.84Å; Y1189-W1193 AromaticContact CE1-CD1 3.89Å; Y1189-W1193 AromaticContact CE1-NE1 3.25Å; Y1189-W1193 AromaticContact CZ-NE1 3.37Å; Y1189-W1193 PolarHBondContact O-N 3.25Å; I1190-W1193 PolarHBondContact O-N 2.86Å; I1190-W1193 VanDerWaalsContact O-N 3.09Å; W1193-G1197 PolarHBondContact O-N 3.07Å; W1193-W1259 AromaticContact CH2-CD1 3.56Å; W1193-W1259 HydrophobicContact CH2-CD2 4.26Å; W1193-W1259 AromaticContact CH2-CE2 3.58Å; W1193-W1259 HydrophobicContact CH2-CG 4.25Å; W1193-W1259 HydrophobicContact CH2-CZ2 4.12Å; W1193-W1259 AromaticContact CH2-NE1 3.05Å; W1193-W1259 HydrophobicContact CZ2-CD2 4.37Å; W1193-W1259 AromaticContact CZ2-CE2 3.55Å; W1193-W1259 HydrophobicContact CZ2-CH2 4.45Å; W1193-W1259 AromaticContact CZ2-CZ2 3.61Å; W1193-W1259 HydrophobicContact CZ2-CZ2 3.61Å; W1193-W1259 AromaticContact CZ2-NE1 3.51Å; W1193-W1259 AromaticContact CZ3-NE1 3.7Å
1194	V	94	Very high	92.2	Very high	32 Å²	32	59.1 Å²	59.1	19%	0.194	28%	0.28	C	S	.	.	H	α-helix	trans	-68.8	-44.9	172	172.9	0	0	0	0	110.6	F351 V1116 I1190 F1191 L1192 D1196 G1197 I1198	F351-V1194 HydrophobicContact CE1-CG2 4.39Å; F351-V1194 HydrophobicContact CZ-CG2 4.11Å; V1116-V1194 HydrophobicContact CG1-CG1 4.19Å; V1116-V1194 WeakPolarHBondContact CG1-O 3.35Å; V1116-V1194 HydrophobicContact CG2-CG1 4.36Å; V1116-V1194 HydrophobicContact CG2-CG2 4.41Å; I1190-V1194 HydrophobicContact CG2-CG2 4.39Å; I1190-V1194 WeakPolarHBondContact O-CG2 3.41Å; I1190-V1194 PolarHBondContact O-N 3.35Å; F1191-V1194 PolarHBondContact O-N 3.42Å; L1192-V1194 VanDerWaalsContact C-N 3.33Å; L1192-V1194 PolarHBondContact O-N 3.32Å; V1194-D1196 VanDerWaalsContact C-N 3.34Å; V1194-D1196 PolarHBondContact O-N 3.1Å; V1194-G1197 PolarHBondContact O-N 3.48Å; V1194-I1198 HydrophobicContact CG1-CD1 4.12Å; V1194-I1198 WeakPolarHBondContact O-CG1 3.17Å; V1194-I1198 PolarHBondContact O-N 3.1Å
1195	I	95.8	Very high	92.5	Very high	83 Å²	83	58.4 Å²	58.4	43%	0.426	28%	0.276	S	S	.	.	H	α-helix	trans	-60.4	-45	173.9	-70.1	172.5	0	0	0	110.9	F1191 L1192 G1197 I1198 W1199	F1191-I1195 HydrophobicContact CD1-CD1 3.96Å; F1191-I1195 HydrophobicContact CE1-CD1 3.43Å; F1191-I1195 VanDerWaalsContact CE1-CD1 3.43Å; F1191-I1195 HydrophobicContact CE1-CG1 4.41Å; F1191-I1195 HydrophobicContact CE2-CD1 4.3Å; F1191-I1195 HydrophobicContact CZ-CD1 3.63Å; F1191-I1195 HydrophobicContact CZ-CG1 4.29Å; F1191-I1195 PolarHBondContact O-N 3.34Å; L1192-I1195 PolarHBondContact O-N 2.72Å; I1195-G1197 VanDerWaalsContact C-N 3.28Å; I1195-G1197 PolarHBondContact O-N 2.78Å; I1195-I1198 PolarHBondContact O-N 2.99Å; I1195-W1199 WeakPolarHBondContact O-CB 3.22Å; I1195-W1199 PolarHBondContact O-N 3.34Å
1196	D	94.6	Very high	92.7	Very high	35 Å²	35	59.6 Å²	59.6	19%	0.187	28%	0.281	C	S	.	.	H	α-helix	trans	-57.8	-41.5	175.6	-162.5	43.9	0	0	0	111.1	H1113 L1192 V1194 W1199 H1200 R1255	H1113-D1196 IonicContact CE1-OD2 3.39Å; H1113-D1196 PolarHBondContact CE1-OD2 2.68Å; H1113-D1196 IonicContact ND1-OD2 3.85Å; L1192-D1196 WeakPolarHBondContact O-CB 3.41Å; L1192-D1196 PolarHBondContact O-N 3.05Å; V1194-D1196 VanDerWaalsContact C-N 3.34Å; V1194-D1196 PolarHBondContact O-N 3.1Å; D1196-W1199 PolarHBondContact O-N 3.49Å; D1196-H1200 PolarHBondContact O-CD2 2.98Å; D1196-H1200 PolarHBondContact O-N 2.86Å; D1196-H1200 IonicContact OD1-CD2 3.5Å; D1196-H1200 IonicContact OD1-NE2 3.83Å; D1196-R1255 IonicContact OD1-NE 3.93Å; D1196-R1255 IonicContact OD1-NH2 3.95Å; D1196-R1255 IonicContact OD2-CZ 2.97Å; D1196-R1255 IonicContact OD2-NE 3.59Å; D1196-R1255 PolarHBondContact OD2-NE 3.04Å; D1196-R1255 IonicContact OD2-NH2 3.91Å; D1196-R1255 PolarHBondContact OD2-NH2 3.48Å
1197	G	95	Very high	92.9	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63	-47	173.3	0	0	0	0	0	113.1	H1113 A1117 W1193 V1194 I1195 W1199 H1200 G1201	H1113-G1197 WeakPolarHBondContact ND1-CA 3.04Å; H1113-G1197 PolarHBondContact ND1-N 3.21Å; A1117-G1197 WeakPolarHBondContact CA-O 3.05Å; A1117-G1197 VanDerWaalsContact CB-O 3.28Å; A1117-G1197 WeakPolarHBondContact CB-O 3.44Å; W1193-G1197 PolarHBondContact O-N 3.07Å; V1194-G1197 PolarHBondContact O-N 3.48Å; I1195-G1197 VanDerWaalsContact C-N 3.28Å; I1195-G1197 PolarHBondContact O-N 2.78Å; G1197-W1199 VanDerWaalsContact C-N 3.32Å; G1197-W1199 PolarHBondContact O-N 3.24Å; G1197-H1200 PolarHBondContact O-N 3.1Å; G1197-G1201 PolarHBondContact O-N 3.37Å
1198	I	95.8	Very high	92.8	Very high	82 Å²	82	54.7 Å²	54.7	42%	0.421	25%	0.248	S	C	.	.	H	α-helix	trans	-58.2	-46	177.5	-68.7	166.4	0	0	0	110.4	V1116 C1120 V1194 I1195 G1201 F1202	V1116-I1198 HydrophobicContact CG1-CG1 3.69Å; C1120-I1198 PolarHBondContact SG-O 3.09Å; V1194-I1198 HydrophobicContact CG1-CD1 4.12Å; V1194-I1198 WeakPolarHBondContact O-CG1 3.17Å; V1194-I1198 PolarHBondContact O-N 3.1Å; I1195-I1198 PolarHBondContact O-N 2.99Å; I1198-G1201 PolarHBondContact O-N 3.35Å; I1198-F1202 WeakPolarHBondContact O-CB 3.1Å; I1198-F1202 PolarHBondContact O-N 3.03Å
1199	W	95.6	Very high	92.5	Very high	157 Å²	157	47.8 Å²	47.8	60%	0.595	22%	0.222	S	C	*	.	H	α-helix	trans	-60.1	-47.1	178.5	-179.5	-116.6	0	0	0	112.5	I1195 D1196 G1197 F1202 I1203	I1195-W1199 WeakPolarHBondContact O-CB 3.22Å; I1195-W1199 PolarHBondContact O-N 3.34Å; D1196-W1199 PolarHBondContact O-N 3.49Å; G1197-W1199 VanDerWaalsContact C-N 3.32Å; G1197-W1199 PolarHBondContact O-N 3.24Å; W1199-F1202 PolarHBondContact O-N 3.14Å; W1199-I1203 HydrophobicContact CD2-CD1 3.72Å; W1199-I1203 HydrophobicContact CD2-CG1 4.45Å; W1199-I1203 HydrophobicContact CE3-CD1 4.3Å; W1199-I1203 HydrophobicContact CG-CD1 4.18Å; W1199-I1203 HydrophobicContact CH2-CD1 4.09Å; W1199-I1203 HydrophobicContact CZ2-CD1 3.48Å; W1199-I1203 VanDerWaalsContact CZ2-CD1 3.48Å; W1199-I1203 HydrophobicContact CZ2-CG1 4.44Å; W1199-I1203 HydrophobicContact CZ3-CD1 4.46Å; W1199-I1203 PolarHBondContact O-N 3.4Å
1200	H	94.2	Very high	92.1	Very high	28 Å²	28	51.5 Å²	51.5	13%	0.13	24%	0.237	C	C	.	.	H	α-helix	trans	-61.4	-44.9	175.6	-82.5	-119.5	0	0	0	112.1	H1113 A1117 D1196 G1197 F1202 T1204 S1251	H1113-H1200 AromaticContact CE1-CD2 3.81Å; H1113-H1200 AromaticContact CE1-CG 3.75Å; H1113-H1200 AromaticContact NE2-CG 3.97Å; H1113-H1200 AromaticContact NE2-ND1 3.84Å; A1117-H1200 HydrophobicContact CB-CB 4.1Å; D1196-H1200 PolarHBondContact O-CD2 2.98Å; D1196-H1200 PolarHBondContact O-N 2.86Å; D1196-H1200 IonicContact OD1-CD2 3.5Å; D1196-H1200 IonicContact OD1-NE2 3.83Å; G1197-H1200 PolarHBondContact O-N 3.1Å; H1200-F1202 PolarHBondContact O-N 2.82Å; H1200-T1204 WeakPolarHBondContact O-CB 3.34Å; H1200-T1204 WeakPolarHBondContact O-CG2 3.41Å; H1200-T1204 PolarHBondContact O-N 3.34Å; H1200-T1204 PolarHBondContact O-OG1 3.03Å; H1200-S1251 PolarHBondContact CE1-OG 3.04Å; H1200-S1251 VanDerWaalsContact CE1-OG 3.32Å; H1200-S1251 PolarHBondContact ND1-OG 3.24Å
1201	G	93.2	Very high	91.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.1	-40.1	177.5	0	0	0	0	0	113.5	A1117 G1197 I1198 T1204 Y1205	A1117-G1201 WeakPolarHBondContact O-CA 3.29Å; G1197-G1201 PolarHBondContact O-N 3.37Å; I1198-G1201 PolarHBondContact O-N 3.35Å; G1201-T1204 PolarHBondContact O-OG1 3.27Å; G1201-Y1205 PolarHBondContact O-N 3.5Å
1202	F	94.5	Very high	90.7	Very high	99 Å²	99	51.1 Å²	51.1	43%	0.434	25%	0.246	S	C	.	.	H	α-helix	trans	-64.6	-53.2	177.4	-171.6	-88.5	0	0	0	111.7	I1198 W1199 H1200 T1204 Y1205 F1206	I1198-F1202 WeakPolarHBondContact O-CB 3.1Å; I1198-F1202 PolarHBondContact O-N 3.03Å; W1199-F1202 PolarHBondContact O-N 3.14Å; H1200-F1202 PolarHBondContact O-N 2.82Å; F1202-T1204 PolarHBondContact O-N 3.43Å; F1202-Y1205 PolarHBondContact O-N 3.47Å; F1202-F1206 AromaticContact CD1-CD2 3.8Å; F1202-F1206 HydrophobicContact CD1-CD2 3.8Å; F1202-F1206 HydrophobicContact CD1-CE2 4.39Å; F1202-F1206 AromaticContact CD2-CD2 3.91Å; F1202-F1206 HydrophobicContact CD2-CD2 3.91Å; F1202-F1206 AromaticContact CD2-CE2 3.72Å; F1202-F1206 HydrophobicContact CD2-CE2 3.72Å; F1202-F1206 AromaticContact CE1-CD2 3.61Å; F1202-F1206 HydrophobicContact CE1-CD2 3.61Å; F1202-F1206 HydrophobicContact CE1-CE2 4.04Å; F1202-F1206 HydrophobicContact CE1-CG 4.36Å; F1202-F1206 AromaticContact CE2-CD2 3.75Å; F1202-F1206 HydrophobicContact CE2-CD2 3.75Å; F1202-F1206 AromaticContact CE2-CE2 3.32Å; F1202-F1206 HydrophobicContact CE2-CE2 3.32Å; F1202-F1206 HydrophobicContact CE2-CZ 4.28Å; F1202-F1206 AromaticContact CG-CD2 3.94Å; F1202-F1206 HydrophobicContact CG-CD2 3.94Å; F1202-F1206 HydrophobicContact CG-CE2 4.24Å; F1202-F1206 AromaticContact CZ-CD2 3.58Å; F1202-F1206 HydrophobicContact CZ-CD2 3.58Å; F1202-F1206 AromaticContact CZ-CE2 3.49Å; F1202-F1206 HydrophobicContact CZ-CE2 3.49Å; F1202-F1206 VanDerWaalsContact CZ-CE2 3.49Å; F1202-F1206 HydrophobicContact CZ-CZ 4.33Å; F1202-F1206 WeakPolarHBondContact O-CD2 3.44Å; F1202-F1206 PolarHBondContact O-N 3.03Å
1203	I	94.2	Very high	89.4	Confident	54 Å²	54	49.6 Å²	49.6	28%	0.277	24%	0.244	S	C	.	.	H	α-helix	trans	-61.7	-45.2	-179.2	-74.8	166.7	0	0	0	111.9	W1199 Y1205 F1206 I1207	W1199-I1203 HydrophobicContact CD2-CD1 3.72Å; W1199-I1203 HydrophobicContact CD2-CG1 4.45Å; W1199-I1203 HydrophobicContact CE3-CD1 4.3Å; W1199-I1203 HydrophobicContact CG-CD1 4.18Å; W1199-I1203 HydrophobicContact CH2-CD1 4.09Å; W1199-I1203 HydrophobicContact CZ2-CD1 3.48Å; W1199-I1203 VanDerWaalsContact CZ2-CD1 3.48Å; W1199-I1203 HydrophobicContact CZ2-CG1 4.44Å; W1199-I1203 HydrophobicContact CZ3-CD1 4.46Å; W1199-I1203 PolarHBondContact O-N 3.4Å; I1203-Y1205 PolarHBondContact O-N 2.93Å; I1203-F1206 PolarHBondContact O-N 3.45Å; I1203-I1207 HydrophobicContact CG2-CD1 3.43Å; I1203-I1207 VanDerWaalsContact CG2-CD1 3.43Å; I1203-I1207 HydrophobicContact CG2-CG1 3.99Å; I1203-I1207 PolarHBondContact O-N 3.36Å
1204	T	92.9	Very high	88	Confident	7 Å²	7	50.4 Å²	50.4	4%	0.043	25%	0.254	C	S	.	.	H	α-helix	trans	-67.9	-19.2	-174.8	54.7	0	0	0	0	113.3	N1121 H1200 G1201 F1202 P1208 S1244 L1248	N1121-T1204 PolarHBondContact ND2-OG1 3.46Å; H1200-T1204 WeakPolarHBondContact O-CB 3.34Å; H1200-T1204 WeakPolarHBondContact O-CG2 3.41Å; H1200-T1204 PolarHBondContact O-N 3.34Å; H1200-T1204 PolarHBondContact O-OG1 3.03Å; G1201-T1204 PolarHBondContact O-OG1 3.27Å; F1202-T1204 PolarHBondContact O-N 3.43Å; T1204-P1208 VanDerWaalsContact O-CD 3.27Å; T1204-P1208 WeakPolarHBondContact O-CD 3.41Å; T1204-P1208 WeakPolarHBondContact O-CG 3.31Å; T1204-S1244 WeakPolarHBondContact O-CA 3.07Å; T1204-S1244 WeakPolarHBondContact O-CB 3.33Å; T1204-L1248 HydrophobicContact CG2-CB 4.34Å; T1204-L1248 HydrophobicContact CG2-CD1 4.49Å
1205	Y	91.3	Very high	86.4	Confident	6 Å²	6	49.2 Å²	49.2	2%	0.024	25%	0.249	C	C	.	.	H	α-helix	trans	-86.1	-51.7	167.9	174.4	-97	0	0	0	112.3	N1121 C1124 V1125 N1128 G1201 F1202 I1203 I1207 P1208 Y1209	N1121-Y1205 PolarHBondContact ND2-N 3.05Å; C1124-Y1205 HydrophobicContact CB-CD1 3.27Å; C1124-Y1205 HydrophobicContact CB-CD2 4.35Å; C1124-Y1205 HydrophobicContact CB-CE1 3.75Å; C1124-Y1205 HydrophobicContact CB-CG 3.61Å; V1125-Y1205 HydrophobicContact CB-CE2 4.3Å; V1125-Y1205 HydrophobicContact CG2-CD2 3.63Å; V1125-Y1205 HydrophobicContact CG2-CE2 3.46Å; V1125-Y1205 VanDerWaalsContact CG2-CE2 3.46Å; N1128-Y1205 VanDerWaalsContact CB-OH 3.28Å; N1128-Y1205 WeakPolarHBondContact CB-OH 3.38Å; N1128-Y1205 WeakPolarHBondContact ND2-CE1 3.48Å; N1128-Y1205 PolarHBondContact ND2-OH 3.3Å; G1201-Y1205 PolarHBondContact O-N 3.5Å; F1202-Y1205 PolarHBondContact O-N 3.47Å; I1203-Y1205 PolarHBondContact O-N 2.93Å; Y1205-I1207 PolarHBondContact O-N 3.23Å; Y1205-P1208 WeakPolarHBondContact O-CD 3.41Å; Y1205-Y1209 HydrophobicContact CE1-CG 4.34Å; Y1205-Y1209 WeakPolarHBondContact O-CB 3.46Å; Y1205-Y1209 PolarHBondContact O-N 3.12Å; Y1205-Y1209 VanDerWaalsContact O-N 3.16Å
1206	F	90.4	Very high	84.5	Confident	30 Å²	30	51.6 Å²	51.6	13%	0.132	26%	0.263	C	S	.	.	H	α-helix	trans	-69.6	-31.8	-171.7	-83.8	-72.2	0	0	0	113.8	C1124 F1202 I1203 Y1209 Y1210	C1124-F1206 HydrophobicContact CB-CE2 4.17Å; F1202-F1206 AromaticContact CD1-CD2 3.8Å; F1202-F1206 HydrophobicContact CD1-CD2 3.8Å; F1202-F1206 HydrophobicContact CD1-CE2 4.39Å; F1202-F1206 AromaticContact CD2-CD2 3.91Å; F1202-F1206 HydrophobicContact CD2-CD2 3.91Å; F1202-F1206 AromaticContact CD2-CE2 3.72Å; F1202-F1206 HydrophobicContact CD2-CE2 3.72Å; F1202-F1206 AromaticContact CE1-CD2 3.61Å; F1202-F1206 HydrophobicContact CE1-CD2 3.61Å; F1202-F1206 HydrophobicContact CE1-CE2 4.04Å; F1202-F1206 HydrophobicContact CE1-CG 4.36Å; F1202-F1206 AromaticContact CE2-CD2 3.75Å; F1202-F1206 HydrophobicContact CE2-CD2 3.75Å; F1202-F1206 AromaticContact CE2-CE2 3.32Å; F1202-F1206 HydrophobicContact CE2-CE2 3.32Å; F1202-F1206 HydrophobicContact CE2-CZ 4.28Å; F1202-F1206 AromaticContact CG-CD2 3.94Å; F1202-F1206 HydrophobicContact CG-CD2 3.94Å; F1202-F1206 HydrophobicContact CG-CE2 4.24Å; F1202-F1206 AromaticContact CZ-CD2 3.58Å; F1202-F1206 HydrophobicContact CZ-CD2 3.58Å; F1202-F1206 AromaticContact CZ-CE2 3.49Å; F1202-F1206 HydrophobicContact CZ-CE2 3.49Å; F1202-F1206 VanDerWaalsContact CZ-CE2 3.49Å; F1202-F1206 HydrophobicContact CZ-CZ 4.33Å; F1202-F1206 WeakPolarHBondContact O-CD2 3.44Å; F1202-F1206 PolarHBondContact O-N 3.03Å; I1203-F1206 PolarHBondContact O-N 3.45Å; F1206-Y1209 HydrophobicContact CD1-CD1 4.2Å; F1206-Y1209 HydrophobicContact CE1-CD1 4.47Å; F1206-Y1209 PolarHBondContact O-N 3.04Å; F1206-Y1210 HydrophobicContact CB-CD2 4.14Å; F1206-Y1210 HydrophobicContact CB-CE2 4.07Å; F1206-Y1210 HydrophobicContact CD1-CD2 4.28Å; F1206-Y1210 AromaticContact CD1-CE2 3.61Å; F1206-Y1210 HydrophobicContact CD1-CE2 3.61Å; F1206-Y1210 HydrophobicContact CG-CE2 4.21Å; F1206-Y1210 WeakPolarHBondContact O-CD2 3.27Å; F1206-Y1210 PolarHBondContact O-N 3.06Å
1207	I	89.6	Confident	82.5	Confident	85 Å²	85	56.5 Å²	56.5	44%	0.436	29%	0.288	S	S	.	.	H	α-helix	trans	-60.3	-56.4	176.3	-72.5	179.3	0	0	0	111.2	I1203 Y1205 Y1209 Y1210 C1211	I1203-I1207 HydrophobicContact CG2-CD1 3.43Å; I1203-I1207 VanDerWaalsContact CG2-CD1 3.43Å; I1203-I1207 HydrophobicContact CG2-CG1 3.99Å; I1203-I1207 PolarHBondContact O-N 3.36Å; Y1205-I1207 PolarHBondContact O-N 3.23Å; I1207-Y1209 VanDerWaalsContact C-N 3.27Å; I1207-Y1209 PolarHBondContact O-N 2.87Å; I1207-Y1210 PolarHBondContact O-N 3.43Å; I1207-C1211 WeakPolarHBondContact O-CB 3.39Å; I1207-C1211 PolarHBondContact O-N 3.16Å; I1207-C1211 PolarHBondContact O-SG 2.83Å; I1207-C1211 VanDerWaalsContact O-SG 3.33Å
1208	P	85	Confident	80.2	Confident	2 Å²	2	68 Å²	68	1%	0.013	33%	0.333	C	S	.	.	H	α-helix	trans	-56.2	-38.6	173.1	-30.3	38.2	0	0	0	113.9	T1204 Y1205 C1211 L1212 A1243 Y1247	T1204-P1208 VanDerWaalsContact O-CD 3.27Å; T1204-P1208 WeakPolarHBondContact O-CD 3.41Å; T1204-P1208 WeakPolarHBondContact O-CG 3.31Å; Y1205-P1208 WeakPolarHBondContact O-CD 3.41Å; P1208-C1211 PolarHBondContact O-N 3.39Å; P1208-L1212 HydrophobicContact CB-CD1 4.39Å; P1208-L1212 VanDerWaalsContact O-CB 3.25Å; P1208-L1212 WeakPolarHBondContact O-CB 3.43Å; P1208-L1212 PolarHBondContact O-N 3.03Å; P1208-A1243 HydrophobicContact CB-CB 4.14Å; P1208-A1243 HydrophobicContact CG-CB 4.38Å; P1208-Y1247 HydrophobicContact CG-CD2 3.45Å; P1208-Y1247 VanDerWaalsContact CG-CD2 3.45Å; P1208-Y1247 HydrophobicContact CG-CE2 3.83Å; P1208-Y1247 HydrophobicContact CG-CG 4.42Å
1209	Y	82.6	Confident	77.6	Confident	32 Å²	32	66.6 Å²	66.6	13%	0.125	33%	0.334	C	S	.	.	H	α-helix	trans	-61.8	-47.7	178.6	-175.9	-102.4	0	0	0	112.4	Y1205 F1206 I1207 A1213 N1216	Y1205-Y1209 HydrophobicContact CE1-CG 4.34Å; Y1205-Y1209 WeakPolarHBondContact O-CB 3.46Å; Y1205-Y1209 PolarHBondContact O-N 3.12Å; Y1205-Y1209 VanDerWaalsContact O-N 3.16Å; F1206-Y1209 HydrophobicContact CD1-CD1 4.2Å; F1206-Y1209 HydrophobicContact CE1-CD1 4.47Å; F1206-Y1209 PolarHBondContact O-N 3.04Å; I1207-Y1209 VanDerWaalsContact C-N 3.27Å; I1207-Y1209 PolarHBondContact O-N 2.87Å; Y1209-A1213 HydrophobicContact CD2-CB 4.31Å; Y1209-A1213 HydrophobicContact CE2-CB 4.44Å; Y1209-A1213 CarbonylContact O-C 3.59Å; Y1209-A1213 WeakPolarHBondContact O-CA 3.38Å; Y1209-A1213 VanDerWaalsContact O-CB 3.3Å; Y1209-A1213 WeakPolarHBondContact O-CB 3.45Å; Y1209-A1213 PolarHBondContact O-N 3.25Å; Y1209-N1216 PolarHBondContact OH-OD1 2.96Å
1210	Y	83.3	Confident	75.3	Confident	139 Å²	139	67.7 Å²	67.7	55%	0.545	35%	0.345	S	S	.	.	H	α-helix	trans	-70.2	-37.4	176.6	-75.2	-66.2	0	0	0	112.7	F1206 I1207	F1206-Y1210 HydrophobicContact CB-CD2 4.14Å; F1206-Y1210 HydrophobicContact CB-CE2 4.07Å; F1206-Y1210 HydrophobicContact CD1-CD2 4.28Å; F1206-Y1210 AromaticContact CD1-CE2 3.61Å; F1206-Y1210 HydrophobicContact CD1-CE2 3.61Å; F1206-Y1210 HydrophobicContact CG-CE2 4.21Å; F1206-Y1210 WeakPolarHBondContact O-CD2 3.27Å; F1206-Y1210 PolarHBondContact O-N 3.06Å; I1207-Y1210 PolarHBondContact O-N 3.43Å
1211	C	80.8	Confident	73.1	Confident	84 Å²	84	69 Å²	69	57%	0.568	36%	0.361	S	S	*	.	H	α-helix	trans	-78.7	-34.6	-176.9	-68	0	0	0	0	114.5	I1207 P1208	I1207-C1211 WeakPolarHBondContact O-CB 3.39Å; I1207-C1211 PolarHBondContact O-N 3.16Å; I1207-C1211 PolarHBondContact O-SG 2.83Å; I1207-C1211 VanDerWaalsContact O-SG 3.33Å; P1208-C1211 PolarHBondContact O-N 3.39Å
1212	L	74.1	Confident	70.6	Confident	36 Å²	36	75.8 Å²	75.8	19%	0.188	40%	0.396	C	S	.	.	H	α-helix	trans	-102.7	-31.2	-175.7	-60.3	175.1	0	0	0	113.2	P1208 F1223 M1239 I1240 A1243	P1208-L1212 HydrophobicContact CB-CD1 4.39Å; P1208-L1212 VanDerWaalsContact O-CB 3.25Å; P1208-L1212 WeakPolarHBondContact O-CB 3.43Å; P1208-L1212 PolarHBondContact O-N 3.03Å; L1212-F1223 HydrophobicContact CD2-CZ 4.49Å; L1212-M1239 HydrophobicContact CD1-CE 4.29Å; L1212-M1239 HydrophobicContact CD2-CE 4.17Å; L1212-I1240 HydrophobicContact CB-CG1 4.41Å; L1212-A1243 HydrophobicContact CD1-CB 3.8Å
1213	A	66.5	Low	68.3	Low	42 Å²	42	76.3 Å²	76.3	35%	0.347	40%	0.398	S	S	.	.	S	Bend	trans	-111.7	14.1	-173.5	0	0	0	0	0	114.1	Y1209 G1215 I1240	Y1209-A1213 HydrophobicContact CD2-CB 4.31Å; Y1209-A1213 HydrophobicContact CE2-CB 4.44Å; Y1209-A1213 CarbonylContact O-C 3.59Å; Y1209-A1213 WeakPolarHBondContact O-CA 3.38Å; Y1209-A1213 VanDerWaalsContact O-CB 3.3Å; Y1209-A1213 WeakPolarHBondContact O-CB 3.45Å; Y1209-A1213 PolarHBondContact O-N 3.25Å; A1213-G1215 PolarHBondContact O-N 3.39Å; A1213-I1240 HydrophobicContact CB-CD1 3.77Å
1214	G	64.8	Low	65.7	Low	25 Å²	25	84.3 Å²	84.3	26%	0.258	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	69	-7.7	174.2	0	0	0	0	0	116.3
1215	G	60.1	Low	63.2	Low	8 Å²	8	93 Å²	93	8%	0.082	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	67.1	55.4	171.2	0	0	0	0	0	115.3	A1213 L1217	A1213-G1215 PolarHBondContact O-N 3.39Å; G1215-L1217 PolarHBondContact O-N 3.25Å
1216	N	56.7	Low	60.7	Low	133 Å²	133	99.3 Å²	99.3	71%	0.711	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	64.4	-10.3	-177	-72.1	-20.7	0	0	0	116.7	Y1209	Y1209-N1216 PolarHBondContact OH-OD1 2.96Å
1217	L	51.9	Low	58.3	Low	137 Å²	137	104.3 Å²	104.3	72%	0.717	53%	0.527	S	S	*	.	S	Bend	trans	-82.2	143.1	160	-77.2	87.2	0	0	0	108.7	G1215 A1219	G1215-L1217 PolarHBondContact O-N 3.25Å; L1217-A1219 PolarHBondContact O-N 3.16Å
1218	Y	47.8	Very low	55.8	Low	243 Å²	243	108.2 Å²	108.2	95%	0.953	54%	0.543	S	S	*	.			trans	-69.8	57.5	165.5	-68.9	-88.7	0	0	0	110.6	E1220	Y1218-E1220 PolarHBondContact O-N 3.46Å
1219	A	41.2	Very low	53.7	Low	52 Å²	52	115.7 Å²	115.7	43%	0.43	58%	0.578	S	S	.	*			trans	-72.5	116.3	164.1	0	0	0	0	0	107.2	L1217 A1221	L1217-A1219 PolarHBondContact O-N 3.16Å; A1219-A1221 PolarHBondContact O-N 3.23Å
1220	E	46.2	Very low	51.4	Low	179 Å²	179	121 Å²	121	84%	0.836	61%	0.608	S	S	*	*			trans	-47.9	131.5	155.6	-64.3	179.9	157.2	0	0	107.2	Y1218 I1222	Y1218-E1220 PolarHBondContact O-N 3.46Å; E1220-I1222 WeakPolarHBondContact O-CG1 3.43Å; E1220-I1222 PolarHBondContact O-N 3.17Å
1221	A	47.3	Very low	49.3	Very low	56 Å²	56	120.6 Å²	120.6	46%	0.463	62%	0.62	S	S	.	*			trans	-64	96.8	-175.8	0	0	0	0	0	109.7	A1219 F1223	A1219-A1221 PolarHBondContact O-N 3.23Å; A1221-F1223 HydrophobicContact CB-CD2 4.04Å; A1221-F1223 HydrophobicContact CB-CE2 4.07Å; A1221-F1223 PolarHBondContact O-N 3.26Å
1222	I	41.2	Very low	47.2	Very low	142 Å²	142	124 Å²	124	73%	0.728	63%	0.633	S	S	*	*			trans	-72.5	88.8	-170.2	-48.8	-177.6	0	0	0	109.9	E1220	E1220-I1222 WeakPolarHBondContact O-CG1 3.43Å; E1220-I1222 PolarHBondContact O-N 3.17Å
1223	F	46.1	Very low	46	Very low	111 Å²	111	125 Å²	125	49%	0.487	65%	0.651	S	S	.	*			trans	-126.6	120.9	173.2	-64.6	-66	0	0	0	111.3	L1212 A1221 Q1225	L1212-F1223 HydrophobicContact CD2-CZ 4.49Å; A1221-F1223 HydrophobicContact CB-CD2 4.04Å; A1221-F1223 HydrophobicContact CB-CE2 4.07Å; A1221-F1223 PolarHBondContact O-N 3.26Å; F1223-Q1225 PolarHBondContact O-N 3.02Å
1224	Y	40.1	Very low	45.1	Very low	222 Å²	222	129.6 Å²	129.6	87%	0.871	67%	0.67	S	S	*	*			trans	-58.4	103	175.7	-83	-104.7	0	0	0	110.9	I1226	Y1224-I1226 PolarHBondContact O-N 2.94Å
1225	Q	41	Very low	44.7	Very low	188 Å²	188	134.5 Å²	134.5	88%	0.879	68%	0.682	S	S	*	*			trans	-81.9	101.9	168	-102.3	-177.4	-18	0	0	110.4	F1223	F1223-Q1225 PolarHBondContact O-N 3.02Å
1226	I	37.4	Very low	44.9	Very low	140 Å²	140	138 Å²	138	72%	0.718	70%	0.699	S	S	*	*			trans	-84.8	111.2	165.2	-61.2	177.2	0	0	0	108	Y1224	Y1224-I1226 PolarHBondContact O-N 2.94Å
1227	N	39.8	Very low	45.7	Very low	135 Å²	135	134.2 Å²	134.2	72%	0.722	68%	0.676	S	S	*	*	S	Bend	trans	65.2	104.4	163.1	-59.9	-19.8	0	0	0	119.1
1228	H	38.7	Very low	46.7	Very low	166 Å²	166	131.3 Å²	131.3	77%	0.769	66%	0.664	S	S	*	*				55.8	120.3	129.8	-81.5	-81.9	0	0	0	121.6
1229	H	39.5	Very low	48	Very low	160 Å²	160	123.5 Å²	123.5	74%	0.741	64%	0.637	S	S	*	*			trans	84.7	112.9	160.3	-61.7	-67.6	0	0	0	119.2
1230	N	34.7	Very low	49.8	Very low	143 Å²	143	122.3 Å²	122.3	77%	0.765	62%	0.624	S	S	*	*			trans	58.6	86.4	148	-58.3	3.4	0	0	0	118.1
1231	T	39.7	Very low	51.5	Low	130 Å²	130	113.8 Å²	113.8	80%	0.798	58%	0.584	S	S	*	*				-171.1	127.2	122.4	27.3	0	0	0	0	109.4	G1233	T1231-G1233 VanDerWaalsContact C-N 3.27Å; T1231-G1233 PolarHBondContact O-N 3.37Å
1232	N	37.3	Very low	53.1	Low	157 Å²	157	113.5 Å²	113.5	84%	0.84	57%	0.574	S	S	*	*			trans	-75.6	84	167.2	-73.3	-9.2	0	0	0	108.6	N1234	N1232-N1234 VanDerWaalsContact C-N 3.26Å; N1232-N1234 PolarHBondContact O-N 3.46Å
1233	G	47.4	Very low	55.1	Low	55 Å²	55	107.7 Å²	107.7	57%	0.567	55%	0.547	S	S	*	.			trans	-68.9	84	171.3	0	0	0	0	0	110.2	T1231 Y1235	T1231-G1233 VanDerWaalsContact C-N 3.27Å; T1231-G1233 PolarHBondContact O-N 3.37Å; G1233-Y1235 WeakPolarHBondContact O-CD2 3.28Å; G1233-Y1235 PolarHBondContact O-N 3.31Å
1234	N	48.8	Very low	57.2	Low	139 Å²	139	102.4 Å²	102.4	74%	0.743	53%	0.525	S	S	*	.			trans	-61.4	108.3	175.5	-74	-17.5	0	0	0	109.2	N1232 D1236	N1232-N1234 VanDerWaalsContact C-N 3.26Å; N1232-N1234 PolarHBondContact O-N 3.46Å; N1234-D1236 VanDerWaalsContact C-N 3.25Å; N1234-D1236 PolarHBondContact O-N 3Å
1235	Y	56.6	Low	59.5	Low	128 Å²	128	92 Å²	92	50%	0.502	48%	0.484	S	S	.	.			trans	-67.9	84.1	173.3	-69.4	-90.1	0	0	0	109.7	G1233 M1239	G1233-Y1235 WeakPolarHBondContact O-CD2 3.28Å; G1233-Y1235 PolarHBondContact O-N 3.31Å; Y1235-M1239 HydrophobicContact CD1-CE 3.74Å; Y1235-M1239 HydrophobicContact CD1-SD 3.49Å; Y1235-M1239 WeakPolarHBondContact CD1-SD 3.37Å; Y1235-M1239 HydrophobicContact CE1-CE 3.64Å; Y1235-M1239 HydrophobicContact CE1-SD 3.9Å; Y1235-M1239 HydrophobicContact CG-SD 4.42Å
1236	D	64.3	Low	61.7	Low	82 Å²	82	84.6 Å²	84.6	44%	0.439	45%	0.451	S	S	.	.			trans	-89.7	163.6	-177.5	177.3	45.6	0	0	0	112.5	N1234 T1238 M1239 I1240	N1234-D1236 VanDerWaalsContact C-N 3.25Å; N1234-D1236 PolarHBondContact O-N 3Å; D1236-T1238 PolarHBondContact O-N 2.91Å; D1236-T1238 VanDerWaalsContact O-N 3.12Å; D1236-T1238 WeakPolarHBondContact OD2-CB 3.11Å; D1236-T1238 VanDerWaalsContact OD2-CG2 3.3Å; D1236-T1238 WeakPolarHBondContact OD2-CG2 3.32Å; D1236-T1238 PolarHBondContact OD2-N 2.93Å; D1236-T1238 PolarHBondContact OD2-OG1 3.44Å; D1236-M1239 WeakPolarHBondContact O-CB 3.35Å; D1236-M1239 PolarHBondContact O-N 2.79Å; D1236-I1240 PolarHBondContact O-N 3.05Å
1237	F	72.9	Confident	64.3	Low	54 Å²	54	83.6 Å²	83.6	24%	0.237	44%	0.439	C	S	.	.	H	α-helix	trans	-48.7	-37	174.2	174.5	-113.1	0	0	0	112.8	V1125 N1129 I1134 M1239 I1240 G1241	V1125-F1237 HydrophobicContact CG1-CE2 4.04Å; V1125-F1237 HydrophobicContact CG1-CZ 3.74Å; N1129-F1237 WeakPolarHBondContact ND2-CE2 3.3Å; N1129-F1237 WeakPolarHBondContact ND2-CZ 3.5Å; I1134-F1237 HydrophobicContact CG2-CE1 4.16Å; F1237-M1239 VanDerWaalsContact C-N 3.32Å; F1237-M1239 PolarHBondContact O-N 3.43Å; F1237-I1240 PolarHBondContact O-N 2.72Å; F1237-G1241 PolarHBondContact O-N 3.28Å
1238	T	71.8	Confident	66.8	Low	76 Å²	76	77.2 Å²	77.2	47%	0.466	41%	0.405	S	S	.	.	H	α-helix	trans	-59.9	-35.4	175.2	53.5	0	0	0	0	113.7	D1236 G1241 N1242	D1236-T1238 PolarHBondContact O-N 2.91Å; D1236-T1238 VanDerWaalsContact O-N 3.12Å; D1236-T1238 WeakPolarHBondContact OD2-CB 3.11Å; D1236-T1238 VanDerWaalsContact OD2-CG2 3.3Å; D1236-T1238 WeakPolarHBondContact OD2-CG2 3.32Å; D1236-T1238 PolarHBondContact OD2-N 2.93Å; D1236-T1238 PolarHBondContact OD2-OG1 3.44Å; T1238-G1241 PolarHBondContact O-N 3.17Å; T1238-N1242 PolarHBondContact O-N 3.08Å
1239	M	75.4	Confident	69.3	Low	78 Å²	78	70.2 Å²	70.2	38%	0.384	37%	0.372	S	S	.	.	H	α-helix	trans	-71.2	-41.2	177.7	179.5	173.6	165.8	0	0	111.8	L1212 Y1235 D1236 F1237 G1241 N1242 A1243	L1212-M1239 HydrophobicContact CD1-CE 4.29Å; L1212-M1239 HydrophobicContact CD2-CE 4.17Å; Y1235-M1239 HydrophobicContact CD1-CE 3.74Å; Y1235-M1239 HydrophobicContact CD1-SD 3.49Å; Y1235-M1239 WeakPolarHBondContact CD1-SD 3.37Å; Y1235-M1239 HydrophobicContact CE1-CE 3.64Å; Y1235-M1239 HydrophobicContact CE1-SD 3.9Å; Y1235-M1239 HydrophobicContact CG-SD 4.42Å; D1236-M1239 WeakPolarHBondContact O-CB 3.35Å; D1236-M1239 PolarHBondContact O-N 2.79Å; F1237-M1239 VanDerWaalsContact C-N 3.32Å; F1237-M1239 PolarHBondContact O-N 3.43Å; M1239-G1241 VanDerWaalsContact C-N 3.26Å; M1239-G1241 PolarHBondContact O-N 3.23Å; M1239-N1242 PolarHBondContact O-N 2.93Å; M1239-A1243 WeakPolarHBondContact O-CB 3.11Å; M1239-A1243 PolarHBondContact O-N 3.48Å
1240	I	79.8	Confident	71.8	Confident	28 Å²	28	65.6 Å²	65.6	14%	0.144	35%	0.352	C	S	.	.	H	α-helix	trans	-63	-38.8	174.8	-59	164.5	0	0	0	109.9	L1212 A1213 D1236 F1237 S1244	L1212-I1240 HydrophobicContact CB-CG1 4.41Å; A1213-I1240 HydrophobicContact CB-CD1 3.77Å; D1236-I1240 PolarHBondContact O-N 3.05Å; F1237-I1240 PolarHBondContact O-N 2.72Å; I1240-S1244 WeakPolarHBondContact O-CB 3.34Å; I1240-S1244 PolarHBondContact O-N 2.94Å; I1240-S1244 PolarHBondContact O-OG 3.21Å
1241	G	81	Confident	74.6	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-57.1	-57.9	169.6	0	0	0	0	0	112.7	S1136 F1137 F1237 T1238 M1239 A1243 S1244 F1245	S1136-G1241 WeakPolarHBondContact O-CA 3.4Å; F1137-G1241 VanDerWaalsContact CD1-O 3.29Å; F1137-G1241 WeakPolarHBondContact CD1-O 3.46Å; F1137-G1241 WeakPolarHBondContact CE1-O 3.37Å; F1237-G1241 PolarHBondContact O-N 3.28Å; T1238-G1241 PolarHBondContact O-N 3.17Å; M1239-G1241 VanDerWaalsContact C-N 3.26Å; M1239-G1241 PolarHBondContact O-N 3.23Å; G1241-A1243 VanDerWaalsContact C-N 3.32Å; G1241-A1243 PolarHBondContact O-N 3.15Å; G1241-S1244 PolarHBondContact O-N 3.39Å; G1241-S1244 PolarHBondContact O-OG 2.9Å; G1241-F1245 WeakPolarHBondContact O-CB 3.47Å; G1241-F1245 PolarHBondContact O-N 3.13Å
1242	N	80.8	Confident	77	Confident	49 Å²	49	54.5 Å²	54.5	26%	0.262	29%	0.291	S	S	.	.	H	α-helix	trans	-59.3	-41	-179.7	-70.9	-19	0	0	0	112.4	L1141 T1238 M1239 F1245 V1246	L1141-N1242 WeakPolarHBondContact CD1-OD1 3.47Å; T1238-N1242 PolarHBondContact O-N 3.08Å; M1239-N1242 PolarHBondContact O-N 2.93Å; N1242-F1245 WeakPolarHBondContact O-CB 3.47Å; N1242-F1245 PolarHBondContact O-N 2.72Å; N1242-V1246 WeakPolarHBondContact O-CG2 3.37Å; N1242-V1246 PolarHBondContact O-N 3.38Å; N1242-V1246 VanDerWaalsContact O-N 3.08Å
1243	A	84.7	Confident	79.6	Confident	20 Å²	20	47.6 Å²	47.6	17%	0.165	25%	0.254	C	S	.	.	H	α-helix	trans	-61.4	-52	175.5	0	0	0	0	0	111.8	P1208 L1212 M1239 G1241 F1245 V1246 Y1247	P1208-A1243 HydrophobicContact CB-CB 4.14Å; P1208-A1243 HydrophobicContact CG-CB 4.38Å; L1212-A1243 HydrophobicContact CD1-CB 3.8Å; M1239-A1243 WeakPolarHBondContact O-CB 3.11Å; M1239-A1243 PolarHBondContact O-N 3.48Å; G1241-A1243 VanDerWaalsContact C-N 3.32Å; G1241-A1243 PolarHBondContact O-N 3.15Å; A1243-F1245 VanDerWaalsContact C-N 3.27Å; A1243-F1245 PolarHBondContact O-N 3.06Å; A1243-V1246 PolarHBondContact O-N 3.23Å; A1243-V1246 VanDerWaalsContact O-N 3.11Å; A1243-Y1247 WeakPolarHBondContact O-CD2 3.41Å; A1243-Y1247 PolarHBondContact O-N 3.36Å
1244	S	88.8	Confident	81.6	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.007	25%	0.248	C	C	.	.	H	α-helix	trans	-63.4	-30.8	179.3	56.1	0	0	0	0	113.2	T1204 I1240 G1241 L1248	T1204-S1244 WeakPolarHBondContact O-CA 3.07Å; T1204-S1244 WeakPolarHBondContact O-CB 3.33Å; I1240-S1244 WeakPolarHBondContact O-CB 3.34Å; I1240-S1244 PolarHBondContact O-N 2.94Å; I1240-S1244 PolarHBondContact O-OG 3.21Å; G1241-S1244 PolarHBondContact O-N 3.39Å; G1241-S1244 PolarHBondContact O-OG 2.9Å; S1244-L1248 VanDerWaalsContact O-CB 3.27Å; S1244-L1248 WeakPolarHBondContact O-CB 3.22Å; S1244-L1248 PolarHBondContact O-N 3.32Å
1245	F	88.2	Confident	83.7	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.018	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-47.5	169.6	-174.1	-94.1	0	0	0	112.5	F1118 F1137 L1141 Y1145 G1241 N1242 A1243 L1248 W1249	F1118-F1245 HydrophobicContact CE2-CD2 4.38Å; F1118-F1245 HydrophobicContact CE2-CE2 4.16Å; F1137-F1245 HydrophobicContact CD1-CB 3.8Å; F1137-F1245 HydrophobicContact CD1-CD2 4.21Å; F1137-F1245 HydrophobicContact CD1-CG 4.46Å; F1137-F1245 AromaticContact CD2-CD2 4Å; F1137-F1245 HydrophobicContact CD2-CD2 4Å; F1137-F1245 HydrophobicContact CE1-CB 3.64Å; F1137-F1245 HydrophobicContact CE1-CD2 4.29Å; F1137-F1245 HydrophobicContact CE1-CG 4.49Å; F1137-F1245 HydrophobicContact CE2-CD2 4.05Å; F1137-F1245 HydrophobicContact CG-CB 4.48Å; F1137-F1245 HydrophobicContact CG-CD2 4.07Å; F1137-F1245 HydrophobicContact CZ-CB 4.17Å; F1137-F1245 HydrophobicContact CZ-CD2 4.19Å; L1141-F1245 HydrophobicContact CB-CD2 4.08Å; L1141-F1245 HydrophobicContact CB-CE1 4.47Å; L1141-F1245 HydrophobicContact CB-CE2 3.75Å; L1141-F1245 HydrophobicContact CB-CZ 3.97Å; L1141-F1245 HydrophobicContact CD1-CD1 4.48Å; L1141-F1245 HydrophobicContact CD1-CG 4.3Å; L1141-F1245 HydrophobicContact CD2-CD1 4.43Å; L1141-F1245 HydrophobicContact CD2-CE1 4.14Å; L1141-F1245 HydrophobicContact CD2-CZ 4.36Å; L1141-F1245 WeakPolarHBondContact O-CE2 3.37Å; Y1145-F1245 AromaticContact CD2-CE2 3.81Å; Y1145-F1245 HydrophobicContact CD2-CE2 3.81Å; Y1145-F1245 AromaticContact CD2-CZ 3.97Å; Y1145-F1245 HydrophobicContact CD2-CZ 3.97Å; Y1145-F1245 HydrophobicContact CG-CE2 4.23Å; Y1145-F1245 HydrophobicContact CG-CZ 4.49Å; G1241-F1245 WeakPolarHBondContact O-CB 3.47Å; G1241-F1245 PolarHBondContact O-N 3.13Å; N1242-F1245 WeakPolarHBondContact O-CB 3.47Å; N1242-F1245 PolarHBondContact O-N 2.72Å; A1243-F1245 VanDerWaalsContact C-N 3.27Å; A1243-F1245 PolarHBondContact O-N 3.06Å; F1245-L1248 PolarHBondContact O-N 2.76Å; F1245-W1249 PolarHBondContact O-N 3.38Å
1246	V	88.4	Confident	85.1	Confident	32 Å²	32	38.7 Å²	38.7	19%	0.194	20%	0.198	C	C	.	.	H	α-helix	trans	-63	-47.5	178.8	172.6	0	0	0	0	110.8	N1242 A1243 L1248 W1249 I1250 F1282	N1242-V1246 WeakPolarHBondContact O-CG2 3.37Å; N1242-V1246 PolarHBondContact O-N 3.38Å; N1242-V1246 VanDerWaalsContact O-N 3.08Å; A1243-V1246 PolarHBondContact O-N 3.23Å; A1243-V1246 VanDerWaalsContact O-N 3.11Å; V1246-L1248 VanDerWaalsContact C-N 3.29Å; V1246-L1248 PolarHBondContact O-N 2.99Å; V1246-W1249 PolarHBondContact O-N 3.45Å; V1246-W1249 VanDerWaalsContact O-N 3.17Å; V1246-I1250 HydrophobicContact CG1-CD1 3.84Å; V1246-I1250 HydrophobicContact CG1-CG1 4.28Å; V1246-I1250 WeakPolarHBondContact O-CG1 3.47Å; V1246-I1250 PolarHBondContact O-N 3.45Å; V1246-F1282 HydrophobicContact CG2-CE2 3.87Å; V1246-F1282 HydrophobicContact CG2-CZ 3.53Å
1247	Y	91.2	Very high	86.2	Confident	119 Å²	119	37 Å²	37	47%	0.467	19%	0.191	S	C	.	.	H	α-helix	trans	-61	-38.5	176.8	-74.7	-69.1	0	0	0	112.2	P1208 A1243 S1251	P1208-Y1247 HydrophobicContact CG-CD2 3.45Å; P1208-Y1247 VanDerWaalsContact CG-CD2 3.45Å; P1208-Y1247 HydrophobicContact CG-CE2 3.83Å; P1208-Y1247 HydrophobicContact CG-CG 4.42Å; A1243-Y1247 WeakPolarHBondContact O-CD2 3.41Å; A1243-Y1247 PolarHBondContact O-N 3.36Å; Y1247-S1251 WeakPolarHBondContact O-CB 3.25Å; Y1247-S1251 PolarHBondContact O-N 3.07Å
1248	L	92.2	Very high	87.1	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.9	-43	174.1	178.7	66.4	0	0	0	112.4	A1117 F1118 Y1145 T1204 S1244 F1245 V1246 S1251 V1252	A1117-L1248 HydrophobicContact CB-CD1 3.72Å; F1118-L1248 HydrophobicContact CB-CD2 4.09Å; F1118-L1248 HydrophobicContact CD2-CD2 3.7Å; F1118-L1248 HydrophobicContact CG-CD2 4.33Å; Y1145-L1248 HydrophobicContact CE2-CD2 3.89Å; Y1145-L1248 HydrophobicContact CE2-CG 3.99Å; T1204-L1248 HydrophobicContact CG2-CB 4.34Å; T1204-L1248 HydrophobicContact CG2-CD1 4.49Å; S1244-L1248 VanDerWaalsContact O-CB 3.27Å; S1244-L1248 WeakPolarHBondContact O-CB 3.22Å; S1244-L1248 PolarHBondContact O-N 3.32Å; F1245-L1248 PolarHBondContact O-N 2.76Å; V1246-L1248 VanDerWaalsContact C-N 3.29Å; V1246-L1248 PolarHBondContact O-N 2.99Å; L1248-S1251 PolarHBondContact O-N 3.42Å; L1248-V1252 HydrophobicContact CD1-CG2 4.33Å; L1248-V1252 WeakPolarHBondContact O-CG2 3.48Å; L1248-V1252 PolarHBondContact O-N 2.95Å
1249	W	91.4	Very high	88	Confident	20 Å²	20	40 Å²	40	8%	0.076	20%	0.2	C	C	.	.	H	α-helix	trans	-65.7	-45.7	175.8	165.5	83	0	0	0	112.5	M1149 F1245 V1246 S1251 V1252 T1253 T1275 L1278	M1149-W1249 PolarHBondContact O-NE1 3.31Å; F1245-W1249 PolarHBondContact O-N 3.38Å; V1246-W1249 PolarHBondContact O-N 3.45Å; V1246-W1249 VanDerWaalsContact O-N 3.17Å; W1249-S1251 VanDerWaalsContact C-N 3.3Å; W1249-S1251 PolarHBondContact O-N 2.88Å; W1249-V1252 PolarHBondContact O-N 2.97Å; W1249-T1253 HydrophobicContact CG-CG2 4.49Å; W1249-T1253 WeakPolarHBondContact O-CB 3.41Å; W1249-T1253 WeakPolarHBondContact O-CG2 3.49Å; W1249-T1253 PolarHBondContact O-N 3.29Å; W1249-T1253 PolarHBondContact O-OG1 3.18Å; W1249-T1275 HydrophobicContact CH2-CG2 3.97Å; W1249-T1275 HydrophobicContact CZ2-CG2 4.08Å; W1249-L1278 HydrophobicContact CD2-CD1 3.61Å; W1249-L1278 HydrophobicContact CE3-CD1 3.44Å; W1249-L1278 VanDerWaalsContact CE3-CD1 3.44Å; W1249-L1278 HydrophobicContact CG-CD1 4.2Å; W1249-L1278 HydrophobicContact CH2-CB 4.48Å; W1249-L1278 HydrophobicContact CH2-CD1 4.1Å; W1249-L1278 HydrophobicContact CH2-CD2 4.28Å; W1249-L1278 HydrophobicContact CZ2-CB 4.29Å; W1249-L1278 HydrophobicContact CZ2-CD1 4.25Å; W1249-L1278 HydrophobicContact CZ3-CD1 3.71Å; W1249-L1278 HydrophobicContact CZ3-CD2 4.2Å; W1249-L1278 HydrophobicContact CZ3-CG 4.48Å
1250	I	91.8	Very high	88.6	Confident	62 Å²	62	37.1 Å²	37.1	32%	0.318	19%	0.187	S	C	.	.	H	α-helix	trans	-56.7	-48.7	174	-68.6	174.5	0	0	0	109.5	V1246 V1252 T1253 I1254	V1246-I1250 HydrophobicContact CG1-CD1 3.84Å; V1246-I1250 HydrophobicContact CG1-CG1 4.28Å; V1246-I1250 WeakPolarHBondContact O-CG1 3.47Å; V1246-I1250 PolarHBondContact O-N 3.45Å; I1250-V1252 PolarHBondContact O-N 2.95Å; I1250-T1253 PolarHBondContact O-N 3.11Å; I1250-T1253 PolarHBondContact O-OG1 3.28Å; I1250-T1253 VanDerWaalsContact O-OG1 3.05Å; I1250-I1254 HydrophobicContact CG2-CD1 3.55Å; I1250-I1254 HydrophobicContact CG2-CG1 4.3Å; I1250-I1254 WeakPolarHBondContact O-CB 3.48Å; I1250-I1254 WeakPolarHBondContact O-CG1 3.27Å; I1250-I1254 PolarHBondContact O-N 3.04Å
1251	S	93.2	Very high	89.1	Confident	30 Å²	30	42.5 Å²	42.5	21%	0.21	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-47.2	-176.6	-168.7	0	0	0	0	112	H1200 Y1247 L1248 W1249 R1255	H1200-S1251 PolarHBondContact CE1-OG 3.04Å; H1200-S1251 VanDerWaalsContact CE1-OG 3.32Å; H1200-S1251 PolarHBondContact ND1-OG 3.24Å; Y1247-S1251 WeakPolarHBondContact O-CB 3.25Å; Y1247-S1251 PolarHBondContact O-N 3.07Å; L1248-S1251 PolarHBondContact O-N 3.42Å; W1249-S1251 VanDerWaalsContact C-N 3.3Å; W1249-S1251 PolarHBondContact O-N 2.88Å; S1251-R1255 VanDerWaalsContact O-CB 3.24Å; S1251-R1255 WeakPolarHBondContact O-CB 3.48Å; S1251-R1255 PolarHBondContact O-N 3.36Å
1252	V	91.8	Very high	89.3	Confident	11 Å²	11	44.3 Å²	44.3	7%	0.067	22%	0.219	C	C	.	.	H	α-helix	trans	-71.7	-36.2	179.2	168.5	0	0	0	0	112.9	K1114 T1150 L1248 W1249 I1250 R1255 S1256	K1114-V1252 HydrophobicContact CB-CG1 3.67Å; K1114-V1252 HydrophobicContact CB-CG2 4.14Å; T1150-V1252 HydrophobicContact CG2-CG1 4.29Å; L1248-V1252 HydrophobicContact CD1-CG2 4.33Å; L1248-V1252 WeakPolarHBondContact O-CG2 3.48Å; L1248-V1252 PolarHBondContact O-N 2.95Å; W1249-V1252 PolarHBondContact O-N 2.97Å; I1250-V1252 PolarHBondContact O-N 2.95Å; V1252-R1255 WeakPolarHBondContact O-CB 3.41Å; V1252-R1255 PolarHBondContact O-N 3.05Å; V1252-S1256 PolarHBondContact O-N 3.2Å
1253	T	90.5	Very high	89.4	Confident	12 Å²	12	47.1 Å²	47.1	7%	0.074	23%	0.229	C	C	.	.	H	α-helix	trans	-69.2	-46.3	177.8	49.4	0	0	0	0	111.6	W1249 I1250 R1255 S1256 T1257	W1249-T1253 HydrophobicContact CG-CG2 4.49Å; W1249-T1253 WeakPolarHBondContact O-CB 3.41Å; W1249-T1253 WeakPolarHBondContact O-CG2 3.49Å; W1249-T1253 PolarHBondContact O-N 3.29Å; W1249-T1253 PolarHBondContact O-OG1 3.18Å; I1250-T1253 PolarHBondContact O-N 3.11Å; I1250-T1253 PolarHBondContact O-OG1 3.28Å; I1250-T1253 VanDerWaalsContact O-OG1 3.05Å; T1253-R1255 VanDerWaalsContact C-N 3.31Å; T1253-R1255 PolarHBondContact O-N 3.25Å; T1253-S1256 WeakPolarHBondContact O-CB 3.38Å; T1253-S1256 PolarHBondContact O-N 3.02Å; T1253-S1256 VanDerWaalsContact O-N 3.17Å; T1253-T1257 PolarHBondContact O-N 3.39Å; T1253-T1257 PolarHBondContact O-OG1 3.02Å
1254	I	90.7	Very high	89.5	Confident	86 Å²	86	48 Å²	48	44%	0.441	23%	0.231	S	C	.	.	H	α-helix	trans	-62.2	-37.8	174.1	-67.7	177.9	0	0	0	111.1	I1250 S1256 T1257 I1258	I1250-I1254 HydrophobicContact CG2-CD1 3.55Å; I1250-I1254 HydrophobicContact CG2-CG1 4.3Å; I1250-I1254 WeakPolarHBondContact O-CB 3.48Å; I1250-I1254 WeakPolarHBondContact O-CG1 3.27Å; I1250-I1254 PolarHBondContact O-N 3.04Å; I1254-S1256 PolarHBondContact O-N 2.86Å; I1254-T1257 WeakPolarHBondContact O-CB 3.21Å; I1254-T1257 PolarHBondContact O-N 3.33Å; I1254-I1258 HydrophobicContact CG2-CD1 3.72Å; I1254-I1258 HydrophobicContact CG2-CG1 4.16Å; I1254-I1258 WeakPolarHBondContact O-CG1 3.39Å; I1254-I1258 PolarHBondContact O-N 3.3Å
1255	R	91.8	Very high	89.6	Confident	44 Å²	44	53.5 Å²	53.5	17%	0.166	26%	0.259	C	S	.	.	H	α-helix	trans	-56	-37.7	175.4	-170.9	74.1	-177.5	99.2	1.6	112.3	D1196 S1251 V1252 T1253 W1259	D1196-R1255 IonicContact OD1-NE 3.93Å; D1196-R1255 IonicContact OD1-NH2 3.95Å; D1196-R1255 IonicContact OD2-CZ 2.97Å; D1196-R1255 IonicContact OD2-NE 3.59Å; D1196-R1255 PolarHBondContact OD2-NE 3.04Å; D1196-R1255 IonicContact OD2-NH2 3.91Å; D1196-R1255 PolarHBondContact OD2-NH2 3.48Å; S1251-R1255 VanDerWaalsContact O-CB 3.24Å; S1251-R1255 WeakPolarHBondContact O-CB 3.48Å; S1251-R1255 PolarHBondContact O-N 3.36Å; V1252-R1255 WeakPolarHBondContact O-CB 3.41Å; V1252-R1255 PolarHBondContact O-N 3.05Å; T1253-R1255 VanDerWaalsContact C-N 3.31Å; T1253-R1255 PolarHBondContact O-N 3.25Å; R1255-W1259 VanDerWaalsContact CZ-NE1 3.25Å; R1255-W1259 VanDerWaalsContact NH2-NE1 3.18Å
1256	S	87.3	Confident	89.6	Confident	4 Å²	4	57 Å²	57	3%	0.028	28%	0.277	C	S	.	.	H	α-helix	trans	-69.8	-40.7	174.6	-167.6	0	0	0	0	112.2	V1153 V1252 T1253 I1254 W1259 T1260	V1153-S1256 VanDerWaalsContact CG1-CB 3.44Å; V1153-S1256 WeakPolarHBondContact CG1-OG 3.44Å; V1252-S1256 PolarHBondContact O-N 3.2Å; T1253-S1256 WeakPolarHBondContact O-CB 3.38Å; T1253-S1256 PolarHBondContact O-N 3.02Å; T1253-S1256 VanDerWaalsContact O-N 3.17Å; I1254-S1256 PolarHBondContact O-N 2.86Å; S1256-W1259 PolarHBondContact O-N 3.24Å; S1256-T1260 PolarHBondContact O-N 3.35Å; S1256-T1260 PolarHBondContact O-OG1 3.33Å
1257	T	87.3	Confident	89.6	Confident	46 Å²	46	55.7 Å²	55.7	28%	0.282	27%	0.269	S	S	.	.	H	α-helix	trans	-60.5	-45.7	176.3	-49.4	0	0	0	0	111.6	T1253 I1254 W1259 T1260 F1263 H1271	T1253-T1257 PolarHBondContact O-N 3.39Å; T1253-T1257 PolarHBondContact O-OG1 3.02Å; I1254-T1257 WeakPolarHBondContact O-CB 3.21Å; I1254-T1257 PolarHBondContact O-N 3.33Å; T1257-W1259 PolarHBondContact O-N 3.33Å; T1257-T1260 WeakPolarHBondContact O-CB 3.14Å; T1257-T1260 PolarHBondContact O-N 2.92Å; T1257-T1260 VanDerWaalsContact O-N 3.1Å; T1257-F1263 HydrophobicContact CG2-CD2 4.3Å; T1257-F1263 HydrophobicContact CG2-CE2 3.74Å; T1257-F1263 HydrophobicContact CG2-CZ 4.38Å; T1257-H1271 PolarHBondContact OG1-CE1 3Å; T1257-H1271 PolarHBondContact OG1-NE2 2.9Å
1258	I	91.6	Very high	89.5	Confident	123 Å²	123	52.9 Å²	52.9	63%	0.631	26%	0.261	S	S	*	.	H	α-helix	trans	-61.7	-29.9	-179.5	-68.3	169	0	0	0	112.6	I1254	I1254-I1258 HydrophobicContact CG2-CD1 3.72Å; I1254-I1258 HydrophobicContact CG2-CG1 4.16Å; I1254-I1258 WeakPolarHBondContact O-CG1 3.39Å; I1254-I1258 PolarHBondContact O-N 3.3Å
1259	W	89.6	Confident	89.5	Confident	71 Å²	71	57.1 Å²	57.1	27%	0.269	28%	0.283	S	S	.	.	H	α-helix	trans	-85.5	-15.2	178.1	-94.9	117.3	0	0	0	114.3	F1110 Y1157 W1193 R1255 S1256 T1257	F1110-W1259 HydrophobicContact CE1-CB 4.29Å; F1110-W1259 AromaticContact CE1-CD1 3.75Å; F1110-W1259 HydrophobicContact CE1-CG 4.28Å; F1110-W1259 HydrophobicContact CZ-CB 3.67Å; F1110-W1259 AromaticContact CZ-CD1 3.96Å; F1110-W1259 HydrophobicContact CZ-CG 4.02Å; Y1157-W1259 HydrophobicContact CE2-CB 4.45Å; W1193-W1259 AromaticContact CH2-CD1 3.56Å; W1193-W1259 HydrophobicContact CH2-CD2 4.26Å; W1193-W1259 AromaticContact CH2-CE2 3.58Å; W1193-W1259 HydrophobicContact CH2-CG 4.25Å; W1193-W1259 HydrophobicContact CH2-CZ2 4.12Å; W1193-W1259 AromaticContact CH2-NE1 3.05Å; W1193-W1259 HydrophobicContact CZ2-CD2 4.37Å; W1193-W1259 AromaticContact CZ2-CE2 3.55Å; W1193-W1259 HydrophobicContact CZ2-CH2 4.45Å; W1193-W1259 AromaticContact CZ2-CZ2 3.61Å; W1193-W1259 HydrophobicContact CZ2-CZ2 3.61Å; W1193-W1259 AromaticContact CZ2-NE1 3.51Å; W1193-W1259 AromaticContact CZ3-NE1 3.7Å; R1255-W1259 VanDerWaalsContact CZ-NE1 3.25Å; R1255-W1259 VanDerWaalsContact NH2-NE1 3.18Å; S1256-W1259 PolarHBondContact O-N 3.24Å; T1257-W1259 PolarHBondContact O-N 3.33Å
1260	T	89.6	Confident	89.5	Confident	18 Å²	18	57.2 Å²	57.2	11%	0.11	29%	0.287	C	S	.	.			trans	-71.8	126.3	177.8	-59.1	0	0	0	0	108.9	E1161 S1256 T1257 D1262 F1263 L1267	E1161-T1260 WeakPolarHBondContact OE2-CG2 3.4Å; S1256-T1260 PolarHBondContact O-N 3.35Å; S1256-T1260 PolarHBondContact O-OG1 3.33Å; T1257-T1260 WeakPolarHBondContact O-CB 3.14Å; T1257-T1260 PolarHBondContact O-N 2.92Å; T1257-T1260 VanDerWaalsContact O-N 3.1Å; T1260-D1262 WeakPolarHBondContact CG2-O 3.37Å; T1260-F1263 HydrophobicContact CG2-CD2 4.28Å; T1260-L1267 HydrophobicContact CG2-CD2 3.4Å; T1260-L1267 VanDerWaalsContact CG2-CD2 3.4Å; T1260-L1267 WeakPolarHBondContact OG1-CD2 3.38Å
1261	K	88.5	Confident	89.3	Confident	141 Å²	141	55.6 Å²	55.6	61%	0.613	28%	0.278	S	S	*	.	S	Bend	trans	-93.4	-22.1	173.1	-63.2	-170.2	-178.2	-177.1	0	113.1	E1161 H1163	E1161-K1261 WeakPolarHBondContact OE1-CB 3.24Å; E1161-K1261 PolarHBondContact OE1-N 3.14Å; E1161-K1261 VanDerWaalsContact OE1-N 3.12Å; E1161-K1261 PolarHBondContact OE2-N 2.72Å; H1163-K1261 HydrophobicContact CB-CD 4.1Å; H1163-K1261 WeakPolarHBondContact O-CD 3.39Å
1262	D	86.2	Confident	89.2	Confident	37 Å²	37	58.5 Å²	58.5	20%	0.198	29%	0.29	C	S	.	.	S	Bend	trans	-125.9	91.1	-175.7	-176.5	33.7	0	0	0	110.1	R1162 T1260 N1264	R1162-D1262 HydrophobicContact CB-CB 4.28Å; R1162-D1262 WeakPolarHBondContact CB-OD2 3.33Å; R1162-D1262 IonicContact CZ-OD2 3.83Å; R1162-D1262 IonicContact NE-OD2 3.7Å; R1162-D1262 PolarHBondContact NE-OD2 3.13Å; R1162-D1262 IonicContact NH2-OD1 3.63Å; R1162-D1262 PolarHBondContact NH2-OD1 2.8Å; R1162-D1262 IonicContact NH2-OD2 3.89Å; R1162-D1262 PolarHBondContact NH2-OD2 3.19Å; T1260-D1262 WeakPolarHBondContact CG2-O 3.37Å; D1262-N1264 VanDerWaalsContact CG-ND2 3.31Å; D1262-N1264 PolarHBondContact O-N 3.26Å; D1262-N1264 PolarHBondContact O-ND2 3.01Å; D1262-N1264 PolarHBondContact OD1-OD1 2.97Å; D1262-N1264 PolarHBondContact OD2-ND2 3.22Å; D1262-N1264 PolarHBondContact OD2-OD1 2.91Å
1263	F	83.7	Confident	89.1	Confident	109 Å²	109	58.8 Å²	58.8	48%	0.478	30%	0.295	S	S	.	.			trans	-79.2	69.5	-171.4	-161.7	-112.6	0	0	0	111.9	T1257 T1260 L1267 I1268	T1257-F1263 HydrophobicContact CG2-CD2 4.3Å; T1257-F1263 HydrophobicContact CG2-CE2 3.74Å; T1257-F1263 HydrophobicContact CG2-CZ 4.38Å; T1260-F1263 HydrophobicContact CG2-CD2 4.28Å; F1263-L1267 HydrophobicContact CD2-CD2 3.84Å; F1263-L1267 HydrophobicContact CE2-CD2 4.01Å; F1263-I1268 HydrophobicContact CD1-CD1 3.98Å; F1263-I1268 HydrophobicContact CD1-CG1 3.93Å; F1263-I1268 HydrophobicContact CE1-CD1 3.72Å; F1263-I1268 HydrophobicContact CE1-CG1 3.39Å; F1263-I1268 HydrophobicContact CZ-CG1 3.74Å
1264	N	86.6	Confident	89.1	Confident	39 Å²	39	58.3 Å²	58.3	21%	0.209	29%	0.292	C	S	.	.			trans	-69.3	153.1	-176.6	-70.8	-55.4	0	0	0	113.4	F1160 R1162 D1262 M1266 L1267 I1268	F1160-N1264 PolarHBondContact O-ND2 3.19Å; R1162-N1264 PolarHBondContact NH2-OD1 2.89Å; R1162-N1264 VanDerWaalsContact NH2-OD1 3.1Å; D1262-N1264 VanDerWaalsContact CG-ND2 3.31Å; D1262-N1264 PolarHBondContact O-N 3.26Å; D1262-N1264 PolarHBondContact O-ND2 3.01Å; D1262-N1264 PolarHBondContact OD1-OD1 2.97Å; D1262-N1264 PolarHBondContact OD2-ND2 3.22Å; D1262-N1264 PolarHBondContact OD2-OD1 2.91Å; N1264-M1266 PolarHBondContact O-N 2.95Å; N1264-M1266 VanDerWaalsContact O-N 3.13Å; N1264-L1267 WeakPolarHBondContact O-CB 3.45Å; N1264-L1267 PolarHBondContact O-N 3.38Å; N1264-I1268 PolarHBondContact O-N 2.78Å; N1264-I1268 VanDerWaalsContact O-N 3.15Å
1265	L	89.3	Confident	88.9	Confident	115 Å²	115	57.2 Å²	57.2	60%	0.602	29%	0.29	S	S	*	.	H	α-helix	trans	-49.8	-39.7	173.5	179.7	64.6	0	0	0	113	L1267 I1268 L1269	L1265-L1267 VanDerWaalsContact C-N 3.31Å; L1265-L1267 PolarHBondContact O-N 3.35Å; L1265-I1268 WeakPolarHBondContact O-CB 3.36Å; L1265-I1268 PolarHBondContact O-N 3.44Å; L1265-L1269 HydrophobicContact CG-CD1 4.47Å; L1265-L1269 WeakPolarHBondContact O-CG 3.27Å; L1265-L1269 PolarHBondContact O-N 2.97Å
1266	M	89.1	Confident	88.7	Confident	78 Å²	78	59.7 Å²	59.7	38%	0.384	31%	0.306	S	S	.	.	H	α-helix	trans	-63.9	-34	178.2	-63.3	-61.9	109.6	0	0	113	F1160 N1264 L1269 C1270	F1160-M1266 HydrophobicContact CD1-CB 4.21Å; F1160-M1266 HydrophobicContact CD1-CG 4.21Å; F1160-M1266 HydrophobicContact CD2-CB 3.47Å; F1160-M1266 VanDerWaalsContact CD2-CB 3.47Å; F1160-M1266 HydrophobicContact CD2-CG 4.25Å; F1160-M1266 HydrophobicContact CE1-CB 4.24Å; F1160-M1266 HydrophobicContact CE1-CG 3.95Å; F1160-M1266 HydrophobicContact CE2-CB 3.49Å; F1160-M1266 VanDerWaalsContact CE2-CB 3.49Å; F1160-M1266 HydrophobicContact CE2-CG 3.99Å; F1160-M1266 HydrophobicContact CG-CB 3.84Å; F1160-M1266 HydrophobicContact CG-CG 4.34Å; F1160-M1266 HydrophobicContact CZ-CB 3.88Å; F1160-M1266 HydrophobicContact CZ-CG 3.82Å; F1160-M1266 HydrophobicContact CZ-SD 4.39Å; N1264-M1266 PolarHBondContact O-N 2.95Å; N1264-M1266 VanDerWaalsContact O-N 3.13Å; M1266-L1269 HydrophobicContact CE-CD1 3.74Å; M1266-L1269 HydrophobicContact SD-CD1 4.3Å; M1266-C1270 PolarHBondContact O-N 2.98Å; M1266-C1270 PolarHBondContact O-SG 2.84Å
1267	L	87.8	Confident	88.6	Confident	4 Å²	4	61.7 Å²	61.7	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-73.6	-36.9	175.5	-172.9	70.4	0	0	0	111.2	T1260 F1263 N1264 L1265 L1269 C1270 H1271	T1260-L1267 HydrophobicContact CG2-CD2 3.4Å; T1260-L1267 VanDerWaalsContact CG2-CD2 3.4Å; T1260-L1267 WeakPolarHBondContact OG1-CD2 3.38Å; F1263-L1267 HydrophobicContact CD2-CD2 3.84Å; F1263-L1267 HydrophobicContact CE2-CD2 4.01Å; N1264-L1267 WeakPolarHBondContact O-CB 3.45Å; N1264-L1267 PolarHBondContact O-N 3.38Å; L1265-L1267 VanDerWaalsContact C-N 3.31Å; L1265-L1267 PolarHBondContact O-N 3.35Å; L1267-L1269 VanDerWaalsContact C-N 3.33Å; L1267-L1269 PolarHBondContact O-N 2.92Å; L1267-C1270 WeakPolarHBondContact O-CB 3.45Å; L1267-C1270 PolarHBondContact O-N 3.11Å; L1267-C1270 VanDerWaalsContact O-N 3.12Å; L1267-H1271 PolarHBondContact O-CD2 3.3Å; L1267-H1271 VanDerWaalsContact O-CD2 3.28Å; L1267-H1271 PolarHBondContact O-N 3.16Å
1268	I	89.9	Confident	88.4	Confident	60 Å²	60	60.4 Å²	60.4	31%	0.308	31%	0.308	S	S	.	.	H	α-helix	trans	-58.2	-46.7	171.8	-61.9	172.2	0	0	0	110	F1263 N1264 L1265 C1270 H1271 I1272	F1263-I1268 HydrophobicContact CD1-CD1 3.98Å; F1263-I1268 HydrophobicContact CD1-CG1 3.93Å; F1263-I1268 HydrophobicContact CE1-CD1 3.72Å; F1263-I1268 HydrophobicContact CE1-CG1 3.39Å; F1263-I1268 HydrophobicContact CZ-CG1 3.74Å; N1264-I1268 PolarHBondContact O-N 2.78Å; N1264-I1268 VanDerWaalsContact O-N 3.15Å; L1265-I1268 WeakPolarHBondContact O-CB 3.36Å; L1265-I1268 PolarHBondContact O-N 3.44Å; I1268-C1270 VanDerWaalsContact C-N 3.31Å; I1268-C1270 PolarHBondContact O-N 3.08Å; I1268-H1271 PolarHBondContact O-N 3.31Å; I1268-I1272 HydrophobicContact CG2-CD1 3.91Å; I1268-I1272 WeakPolarHBondContact O-CG1 3.28Å; I1268-I1272 PolarHBondContact O-N 3.27Å
1269	L	92	Very high	88	Confident	89 Å²	89	58.3 Å²	58.3	47%	0.466	30%	0.3	S	S	.	.	H	α-helix	trans	-60.8	-37.2	174.4	-68	173.5	0	0	0	112.4	L1265 M1266 L1267 I1272 G1273	L1265-L1269 HydrophobicContact CG-CD1 4.47Å; L1265-L1269 WeakPolarHBondContact O-CG 3.27Å; L1265-L1269 PolarHBondContact O-N 2.97Å; M1266-L1269 HydrophobicContact CE-CD1 3.74Å; M1266-L1269 HydrophobicContact SD-CD1 4.3Å; L1267-L1269 VanDerWaalsContact C-N 3.33Å; L1267-L1269 PolarHBondContact O-N 2.92Å; L1269-I1272 PolarHBondContact O-N 3.32Å; L1269-G1273 PolarHBondContact O-N 3.42Å
1270	C	90.7	Very high	87.7	Confident	22 Å²	22	59.4 Å²	59.4	15%	0.149	31%	0.31	C	S	.	.	H	α-helix	trans	-65.4	-40.3	174.1	-66.9	0	0	0	0	112.4	M1266 L1267 I1268 G1273 T1274	M1266-C1270 PolarHBondContact O-N 2.98Å; M1266-C1270 PolarHBondContact O-SG 2.84Å; L1267-C1270 WeakPolarHBondContact O-CB 3.45Å; L1267-C1270 PolarHBondContact O-N 3.11Å; L1267-C1270 VanDerWaalsContact O-N 3.12Å; I1268-C1270 VanDerWaalsContact C-N 3.31Å; I1268-C1270 PolarHBondContact O-N 3.08Å; C1270-G1273 PolarHBondContact O-N 2.87Å; C1270-T1274 PolarHBondContact O-N 2.96Å
1271	H	88.9	Confident	87	Confident	28 Å²	28	59.1 Å²	59.1	13%	0.13	31%	0.308	C	S	.	.	H	α-helix	trans	-62.9	-47.4	173.2	-80.4	-70.1	0	0	0	111.5	V1153 T1257 L1267 I1268 G1273 T1274 T1275	V1153-H1271 WeakPolarHBondContact CG2-ND1 3.11Å; T1257-H1271 PolarHBondContact OG1-CE1 3Å; T1257-H1271 PolarHBondContact OG1-NE2 2.9Å; L1267-H1271 PolarHBondContact O-CD2 3.3Å; L1267-H1271 VanDerWaalsContact O-CD2 3.28Å; L1267-H1271 PolarHBondContact O-N 3.16Å; I1268-H1271 PolarHBondContact O-N 3.31Å; H1271-G1273 VanDerWaalsContact C-N 3.27Å; H1271-G1273 PolarHBondContact O-N 3.43Å; H1271-T1274 PolarHBondContact O-N 2.9Å; H1271-T1274 PolarHBondContact O-OG1 2.95Å; H1271-T1275 PolarHBondContact O-N 3.01Å
1272	I	90.9	Very high	86.4	Confident	92 Å²	92	55.8 Å²	55.8	47%	0.472	29%	0.294	S	S	.	.	H	α-helix	trans	-58.5	-39.7	175.1	-65.8	165.8	0	0	0	111	I1268 L1269 T1274 T1275 L1276	I1268-I1272 HydrophobicContact CG2-CD1 3.91Å; I1268-I1272 WeakPolarHBondContact O-CG1 3.28Å; I1268-I1272 PolarHBondContact O-N 3.27Å; L1269-I1272 PolarHBondContact O-N 3.32Å; I1272-T1274 VanDerWaalsContact C-N 3.34Å; I1272-T1274 PolarHBondContact O-N 3.47Å; I1272-T1275 WeakPolarHBondContact CA-OG1 3.3Å; I1272-T1275 PolarHBondContact O-N 3.23Å; I1272-T1275 PolarHBondContact O-OG1 2.83Å; I1272-L1276 VanDerWaalsContact O-CB 3.25Å; I1272-L1276 WeakPolarHBondContact O-CB 3.44Å; I1272-L1276 PolarHBondContact O-N 2.85Å
1273	G	90.2	Very high	86.1	Confident	17 Å²	17	57.2 Å²	57.2	18%	0.175	30%	0.304	C	S	.	.	H	α-helix	trans	-61.2	-39.3	173.6	0	0	0	0	0	113.1	L1269 C1270 H1271 N1277	L1269-G1273 PolarHBondContact O-N 3.42Å; C1270-G1273 PolarHBondContact O-N 2.87Å; H1271-G1273 VanDerWaalsContact C-N 3.27Å; H1271-G1273 PolarHBondContact O-N 3.43Å; G1273-N1277 WeakPolarHBondContact O-CB 3.16Å; G1273-N1277 VanDerWaalsContact O-CG 3.28Å; G1273-N1277 PolarHBondContact O-N 3.26Å; G1273-N1277 PolarHBondContact O-ND2 2.89Å
1274	T	88.9	Confident	85.6	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.006	31%	0.305	C	S	.	.	H	α-helix	trans	-72	-36.6	175.7	56	0	0	0	0	113.9	M1149 L1152 V1153 C1270 H1271 I1272 L1278	M1149-T1274 WeakPolarHBondContact O-CB 3.39Å; M1149-T1274 WeakPolarHBondContact O-CG2 3.41Å; L1152-T1274 HydrophobicContact CB-CG2 3.83Å; V1153-T1274 HydrophobicContact CB-CG2 4.35Å; V1153-T1274 HydrophobicContact CG2-CG2 3.64Å; C1270-T1274 PolarHBondContact O-N 2.96Å; H1271-T1274 PolarHBondContact O-N 2.9Å; H1271-T1274 PolarHBondContact O-OG1 2.95Å; I1272-T1274 VanDerWaalsContact C-N 3.34Å; I1272-T1274 PolarHBondContact O-N 3.47Å; T1274-L1278 PolarHBondContact O-N 3.12Å
1275	T	87.1	Confident	84.8	Confident	64 Å²	64	59 Å²	59	39%	0.393	31%	0.311	S	S	.	.	H	α-helix	trans	-69	-40.8	175.3	59.7	0	0	0	0	110.6	W1249 H1271 I1272 L1278 V1279	W1249-T1275 HydrophobicContact CH2-CG2 3.97Å; W1249-T1275 HydrophobicContact CZ2-CG2 4.08Å; H1271-T1275 PolarHBondContact O-N 3.01Å; I1272-T1275 WeakPolarHBondContact CA-OG1 3.3Å; I1272-T1275 PolarHBondContact O-N 3.23Å; I1272-T1275 PolarHBondContact O-OG1 2.83Å; T1275-L1278 PolarHBondContact O-N 3.49Å; T1275-V1279 WeakPolarHBondContact O-CG2 3.48Å; T1275-V1279 PolarHBondContact O-N 3.32Å
1276	L	88.4	Confident	83.9	Confident	96 Å²	96	59.7 Å²	59.7	50%	0.503	32%	0.315	S	S	.	.	H	α-helix	trans	-61.4	-43.9	175	-176.8	64.6	0	0	0	111.9	I1272 L1278 V1279 I1280	I1272-L1276 VanDerWaalsContact O-CB 3.25Å; I1272-L1276 WeakPolarHBondContact O-CB 3.44Å; I1272-L1276 PolarHBondContact O-N 2.85Å; L1276-L1278 VanDerWaalsContact C-N 3.27Å; L1276-L1278 PolarHBondContact O-N 3.46Å; L1276-V1279 PolarHBondContact O-N 3.34Å; L1276-I1280 HydrophobicContact CD1-CD1 4.27Å; L1276-I1280 HydrophobicContact CD1-CG1 4.39Å; L1276-I1280 HydrophobicContact CG-CD1 3.87Å; L1276-I1280 HydrophobicContact CG-CG1 4.43Å; L1276-I1280 WeakPolarHBondContact O-CB 3.43Å; L1276-I1280 VanDerWaalsContact O-CG1 3.27Å; L1276-I1280 WeakPolarHBondContact O-CG1 3.23Å; L1276-I1280 PolarHBondContact O-N 2.7Å
1277	N	84.2	Confident	82.8	Confident	46 Å²	46	62.2 Å²	62.2	25%	0.246	33%	0.329	C	S	.	.	H	α-helix	trans	-57	-41.5	174.5	-79.4	-20.4	0	0	0	112	T1148 M1149 G1273 L1281	T1148-N1277 PolarHBondContact O-ND2 3.04Å; M1149-N1277 HydrophobicContact CE-CB 4.15Å; M1149-N1277 VanDerWaalsContact CE-O 3.22Å; M1149-N1277 WeakPolarHBondContact CE-O 3.43Å; M1149-N1277 HydrophobicContact SD-CB 3.83Å; G1273-N1277 WeakPolarHBondContact O-CB 3.16Å; G1273-N1277 VanDerWaalsContact O-CG 3.28Å; G1273-N1277 PolarHBondContact O-N 3.26Å; G1273-N1277 PolarHBondContact O-ND2 2.89Å; N1277-L1281 WeakPolarHBondContact O-CB 3.39Å; N1277-L1281 PolarHBondContact O-N 2.9Å
1278	L	82.3	Confident	81.4	Confident	19 Å²	19	70.6 Å²	70.6	10%	0.099	36%	0.361	C	S	.	.	H	α-helix	trans	-68.8	-41.4	177.4	177.1	133.9	0	0	0	112.3	M1149 W1249 T1274 T1275 L1276 L1281 F1282	M1149-L1278 HydrophobicContact SD-CB 3.94Å; W1249-L1278 HydrophobicContact CD2-CD1 3.61Å; W1249-L1278 HydrophobicContact CE3-CD1 3.44Å; W1249-L1278 VanDerWaalsContact CE3-CD1 3.44Å; W1249-L1278 HydrophobicContact CG-CD1 4.2Å; W1249-L1278 HydrophobicContact CH2-CB 4.48Å; W1249-L1278 HydrophobicContact CH2-CD1 4.1Å; W1249-L1278 HydrophobicContact CH2-CD2 4.28Å; W1249-L1278 HydrophobicContact CZ2-CB 4.29Å; W1249-L1278 HydrophobicContact CZ2-CD1 4.25Å; W1249-L1278 HydrophobicContact CZ3-CD1 3.71Å; W1249-L1278 HydrophobicContact CZ3-CD2 4.2Å; W1249-L1278 HydrophobicContact CZ3-CG 4.48Å; T1274-L1278 PolarHBondContact O-N 3.12Å; T1275-L1278 PolarHBondContact O-N 3.49Å; L1276-L1278 VanDerWaalsContact C-N 3.27Å; L1276-L1278 PolarHBondContact O-N 3.46Å; L1278-L1281 WeakPolarHBondContact O-CB 3.32Å; L1278-L1281 PolarHBondContact O-N 3.43Å; L1278-F1282 HydrophobicContact CD1-CE2 4.14Å; L1278-F1282 HydrophobicContact CD2-CD2 3.81Å; L1278-F1282 HydrophobicContact CD2-CE2 3.76Å; L1278-F1282 HydrophobicContact CG-CD2 3.92Å; L1278-F1282 HydrophobicContact CG-CE2 3.75Å; L1278-F1282 VanDerWaalsContact O-CD2 3.31Å; L1278-F1282 WeakPolarHBondContact O-CD2 3.3Å; L1278-F1282 PolarHBondContact O-N 2.91Å
1279	V	84.6	Confident	79.2	Confident	79 Å²	79	72.7 Å²	72.7	48%	0.479	38%	0.378	S	S	.	.	H	α-helix	trans	-61.8	-44.7	173.9	172.1	0	0	0	0	110.9	T1275 L1276 L1281 F1282 V1283	T1275-V1279 WeakPolarHBondContact O-CG2 3.48Å; T1275-V1279 PolarHBondContact O-N 3.32Å; L1276-V1279 PolarHBondContact O-N 3.34Å; V1279-L1281 VanDerWaalsContact C-N 3.27Å; V1279-L1281 PolarHBondContact O-N 2.87Å; V1279-F1282 PolarHBondContact O-N 3.05Å; V1279-V1283 HydrophobicContact CG1-CG2 4.28Å; V1279-V1283 WeakPolarHBondContact O-CB 3.31Å; V1279-V1283 VanDerWaalsContact O-CG2 3.32Å; V1279-V1283 WeakPolarHBondContact O-CG2 3.46Å; V1279-V1283 PolarHBondContact O-N 2.84Å
1280	I	82.1	Confident	76.7	Confident	93 Å²	93	71.9 Å²	71.9	48%	0.477	39%	0.392	S	S	.	.	H	α-helix	trans	-59.3	-39.5	176	-70.4	166.6	0	0	0	111.2	L1276 F1284	L1276-I1280 HydrophobicContact CD1-CD1 4.27Å; L1276-I1280 HydrophobicContact CD1-CG1 4.39Å; L1276-I1280 HydrophobicContact CG-CD1 3.87Å; L1276-I1280 HydrophobicContact CG-CG1 4.43Å; L1276-I1280 WeakPolarHBondContact O-CB 3.43Å; L1276-I1280 VanDerWaalsContact O-CG1 3.27Å; L1276-I1280 WeakPolarHBondContact O-CG1 3.23Å; L1276-I1280 PolarHBondContact O-N 2.7Å; I1280-F1284 VanDerWaalsContact O-CB 3.23Å; I1280-F1284 WeakPolarHBondContact O-CB 3.36Å; I1280-F1284 PolarHBondContact O-N 3.33Å
1281	L	76.1	Confident	73.8	Confident	13 Å²	13	81.3 Å²	81.3	7%	0.068	43%	0.426	C	S	.	.	H	α-helix	trans	-66	-43.2	177.5	172.5	72.6	0	0	0	112.4	I1140 L1141 M1149 N1277 L1278 V1279 F1284 Q1285	I1140-L1281 HydrophobicContact CG2-CD1 4.1Å; L1141-L1281 HydrophobicContact CD2-CD1 4.02Å; L1141-L1281 HydrophobicContact CD2-CD2 3.31Å; L1141-L1281 HydrophobicContact CD2-CG 4.08Å; M1149-L1281 HydrophobicContact CE-CB 3.59Å; M1149-L1281 HydrophobicContact CE-CD2 3.48Å; M1149-L1281 VanDerWaalsContact CE-CD2 3.48Å; M1149-L1281 HydrophobicContact CE-CG 4.08Å; N1277-L1281 WeakPolarHBondContact O-CB 3.39Å; N1277-L1281 PolarHBondContact O-N 2.9Å; L1278-L1281 WeakPolarHBondContact O-CB 3.32Å; L1278-L1281 PolarHBondContact O-N 3.43Å; V1279-L1281 VanDerWaalsContact C-N 3.27Å; V1279-L1281 PolarHBondContact O-N 2.87Å; L1281-F1284 PolarHBondContact O-N 2.92Å; L1281-Q1285 WeakPolarHBondContact O-CG 3.25Å; L1281-Q1285 PolarHBondContact O-N 2.98Å
1282	F	75.5	Confident	71.2	Confident	70 Å²	70	85.4 Å²	85.4	31%	0.307	46%	0.455	S	S	.	.	H	α-helix	trans	-65.3	-47	174.8	-81.6	-64.3	0	0	0	111.4	V1246 L1278 V1279 F1284 Q1285 D1286	V1246-F1282 HydrophobicContact CG2-CE2 3.87Å; V1246-F1282 HydrophobicContact CG2-CZ 3.53Å; L1278-F1282 HydrophobicContact CD1-CE2 4.14Å; L1278-F1282 HydrophobicContact CD2-CD2 3.81Å; L1278-F1282 HydrophobicContact CD2-CE2 3.76Å; L1278-F1282 HydrophobicContact CG-CD2 3.92Å; L1278-F1282 HydrophobicContact CG-CE2 3.75Å; L1278-F1282 VanDerWaalsContact O-CD2 3.31Å; L1278-F1282 WeakPolarHBondContact O-CD2 3.3Å; L1278-F1282 PolarHBondContact O-N 2.91Å; V1279-F1282 PolarHBondContact O-N 3.05Å; F1282-F1284 PolarHBondContact O-N 3.31Å; F1282-Q1285 WeakPolarHBondContact O-CA 3.3Å; F1282-Q1285 WeakPolarHBondContact O-CB 3.42Å; F1282-Q1285 PolarHBondContact O-N 3.07Å; F1282-D1286 PolarHBondContact O-N 3.21Å
1283	V	80.2	Confident	68.3	Low	68 Å²	68	90.1 Å²	90.1	41%	0.412	48%	0.475	S	S	.	.	H	α-helix	trans	-57.9	-35.6	173.5	170.4	0	0	0	0	111.6	V1279 D1286 L1287	V1279-V1283 HydrophobicContact CG1-CG2 4.28Å; V1279-V1283 WeakPolarHBondContact O-CB 3.31Å; V1279-V1283 VanDerWaalsContact O-CG2 3.32Å; V1279-V1283 WeakPolarHBondContact O-CG2 3.46Å; V1279-V1283 PolarHBondContact O-N 2.84Å; V1283-D1286 PolarHBondContact O-N 3.44Å; V1283-L1287 HydrophobicContact CG1-CD1 3.59Å; V1283-L1287 HydrophobicContact CG1-CG 4.06Å; V1283-L1287 WeakPolarHBondContact O-CB 3.34Å; V1283-L1287 WeakPolarHBondContact O-CG 3.43Å; V1283-L1287 PolarHBondContact O-N 3.04Å
1284	F	73.5	Confident	65.4	Low	115 Å²	115	97 Å²	97	50%	0.504	51%	0.507	S	S	.	.	H	α-helix	trans	-71.9	-28.5	174.7	-177.6	-95.5	0	0	0	113.5	I1140 I1280 L1281 F1282	I1140-F1284 HydrophobicContact CD1-CE1 4.33Å; I1280-F1284 VanDerWaalsContact O-CB 3.23Å; I1280-F1284 WeakPolarHBondContact O-CB 3.36Å; I1280-F1284 PolarHBondContact O-N 3.33Å; L1281-F1284 PolarHBondContact O-N 2.92Å; F1282-F1284 PolarHBondContact O-N 3.31Å
1285	Q	69.7	Low	62.5	Low	69 Å²	69	102.2 Å²	102.2	32%	0.322	54%	0.539	S	S	.	.	H	α-helix	trans	-70.9	-45.1	170.5	-72.1	175.9	-21.3	0	0	110.6	L1281 F1282 R1288	L1281-Q1285 WeakPolarHBondContact O-CG 3.25Å; L1281-Q1285 PolarHBondContact O-N 2.98Å; F1282-Q1285 WeakPolarHBondContact O-CA 3.3Å; F1282-Q1285 WeakPolarHBondContact O-CB 3.42Å; F1282-Q1285 PolarHBondContact O-N 3.07Å; Q1285-R1288 WeakPolarHBondContact O-CB 3.15Å; Q1285-R1288 PolarHBondContact O-N 3.3Å
1286	D	69.8	Low	59.6	Low	130 Å²	130	104.7 Å²	104.7	70%	0.695	56%	0.559	S	S	*	*	H	α-helix	trans	-67.9	-38.7	179.2	-60.8	-26.3	0	0	0	112.9	F1282 V1283 R1288	F1282-D1286 PolarHBondContact O-N 3.21Å; V1283-D1286 PolarHBondContact O-N 3.44Å; D1286-R1288 PolarHBondContact O-N 3.34Å
1287	L	65.8	Low	56.8	Low	131 Å²	131	103.9 Å²	103.9	69%	0.686	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-4.7	178	-74.6	175.5	0	0	0	113.8	V1283 P1289	V1283-L1287 HydrophobicContact CG1-CD1 3.59Å; V1283-L1287 HydrophobicContact CG1-CG 4.06Å; V1283-L1287 WeakPolarHBondContact O-CB 3.34Å; V1283-L1287 WeakPolarHBondContact O-CG 3.43Å; V1283-L1287 PolarHBondContact O-N 3.04Å; L1287-P1289 WeakPolarHBondContact O-CD 3.17Å
1288	R	59.2	Low	54.2	Low	181 Å²	181	105.7 Å²	105.7	68%	0.683	58%	0.578	S	S	*	*	S	Bend	trans	-84.7	101.3	175.1	-165.2	175.1	-167.1	178.4	2.3	107.6	Q1285 D1286 G1290	Q1285-R1288 WeakPolarHBondContact O-CB 3.15Å; Q1285-R1288 PolarHBondContact O-N 3.3Å; D1286-R1288 PolarHBondContact O-N 3.34Å; R1288-G1290 PolarHBondContact O-N 2.9Å
1289	P	42.1	Very low	51.7	Low	103 Å²	103	109.8 Å²	109.8	67%	0.669	61%	0.614	S	S	*	*			trans	-59.7	128.5	-172.8	25.6	-34.9	0	0	0	109.7	L1287 Y1291	L1287-P1289 WeakPolarHBondContact O-CD 3.17Å; P1289-Y1291 PolarHBondContact O-N 3.28Å; P1289-Y1291 VanDerWaalsContact O-N 3.07Å
1290	G	39.8	Very low	49.2	Very low	73 Å²	73	113.3 Å²	113.3	75%	0.753	63%	0.63	S	S	*	*			trans	-58.4	114.1	169.5	0	0	0	0	0	108.6	R1288	R1288-G1290 PolarHBondContact O-N 2.9Å
1291	Y	30.8	Very low	46.9	Very low	220 Å²	220	109.5 Å²	109.5	86%	0.863	61%	0.612	S	S	*	*			trans	-60.5	130.3	161.7	-99	-98.4	0	0	0	107	P1289	P1289-Y1291 PolarHBondContact O-N 3.28Å; P1289-Y1291 VanDerWaalsContact O-N 3.07Å
1292	P	34.7	Very low	44.7	Very low	114 Å²	114	119.2 Å²	119.2	74%	0.74	65%	0.649	S	S	*	*			trans	-61.5	145.9	-177.9	25.6	-33.6	0	0	0	110.4	D1294	P1292-D1294 PolarHBondContact O-N 2.84Å
1293	E	30.1	Very low	42.7	Very low	191 Å²	191	119.8 Å²	119.8	89%	0.893	66%	0.655	S	S	*	*	S	Bend	trans	-60.6	98	176.2	-59.9	170	133.8	0	0	109.9
1294	D	28.3	Very low	40.6	Very low	160 Å²	160	121 Å²	121	86%	0.856	66%	0.658	S	S	*	*			trans	-164.4	15.2	164.5	-106.2	-20.8	0	0	0	115.2	P1292	P1292-D1294 PolarHBondContact O-N 2.84Å
1295	V	28.3	Very low	38.6	Very low	112 Å²	112	121.3 Å²	121.3	68%	0.679	67%	0.665	S	S	*	*			trans	-139.5	100.5	164.3	-166.4	0	0	0	0	110.6	S1297	V1295-S1297 VanDerWaalsContact CG1-O 3.28Å; V1295-S1297 WeakPolarHBondContact CG1-O 3.49Å; V1295-S1297 PolarHBondContact O-N 3.02Å
1296	S	27.1	Very low	37	Very low	115 Å²	115	127.3 Å²	127.3	80%	0.804	69%	0.693	S	S	*	*	S	Bend	trans	-61.9	129.9	159.8	51.1	0	0	0	0	109.1
1297	S	27.7	Very low	35.4	Very low	80 Å²	80	123.3 Å²	123.3	56%	0.559	68%	0.678	S	S	*	*	S	Bend	trans	71	125.6	-167.6	79.9	0	0	0	0	115.6	V1295	V1295-S1297 VanDerWaalsContact CG1-O 3.28Å; V1295-S1297 WeakPolarHBondContact CG1-O 3.49Å; V1295-S1297 PolarHBondContact O-N 3.02Å
1298	S	29.5	Very low	34	Very low	84 Å²	84	121 Å²	121	59%	0.587	67%	0.666	S	S	*	*	S	Bend	trans	171.6	-18.6	155.2	41	0	0	0	0	114.5	S1301	S1298-S1301 WeakPolarHBondContact CA-OG 3.37Å; S1298-S1301 PolarHBondContact N-OG 3.31Å
1299	A	30.3	Very low	32.9	Very low	105 Å²	105	119.1 Å²	119.1	87%	0.868	67%	0.67	S	S	*	*	S	Bend	trans	-117.2	-11.7	178.8	0	0	0	0	0	115.3
1300	L	33.3	Very low	32.7	Very low	152 Å²	152	117.3 Å²	117.3	80%	0.796	66%	0.66	S	S	*	*	S	Bend	trans	-103.7	9.2	167.7	-106.6	156.6	0	0	0	111.5
1301	S	32.9	Very low	32.7	Very low	14 Å²	14	118 Å²	118	10%	0.098	65%	0.649	C	S	.	*			trans	-130.6	55.3	-162.5	62	0	0	0	0	113.2	S1298	S1298-S1301 WeakPolarHBondContact CA-OG 3.37Å; S1298-S1301 PolarHBondContact N-OG 3.31Å
1302	Y	31.2	Very low	33	Very low	216 Å²	216	115.2 Å²	115.2	85%	0.847	64%	0.641	S	S	*	*	S	Bend	trans	-98.3	-20.6	147.4	-90.1	-84.5	0	0	0	112.2
1303	D	32.4	Very low	33	Very low	83 Å²	83	114.2 Å²	114.2	44%	0.444	64%	0.636	S	S	.	*	S	Bend	trans	-108.9	2.9	174.9	-68.3	14.9	0	0	0	113.1	H85	H85-D1303 IonicContact CE1-OD1 3.34Å; H85-D1303 IonicContact CE1-OD2 3.44Å; H85-D1303 PolarHBondContact CE1-OD2 2.89Å; H85-D1303 IonicContact CG-OD2 2.78Å; H85-D1303 IonicContact ND1-OD2 3.15Å; H85-D1303 PolarHBondContact ND1-OD2 2.79Å
1304	L	36.2	Very low	33.4	Very low	92 Å²	92	111 Å²	111	48%	0.482	62%	0.619	S	S	.	*	S	Bend	trans	-107.4	9.4	177.2	-82.5	174.2	0	0	0	114.3	A1307	L1304-A1307 HydrophobicContact CD2-CB 4.07Å
1305	L	32.5	Very low	34.1	Very low	123 Å²	123	108.7 Å²	108.7	64%	0.644	61%	0.611	S	S	*	*	S	Bend	trans	-87	-12.4	-179.3	-94.5	162.1	0	0	0	114.9
1306	E	34.7	Very low	34.7	Very low	195 Å²	195	110 Å²	110	91%	0.911	61%	0.614	S	S	*	*	S	Bend	trans	-93.5	-5.8	167.6	-77.7	-171.7	147	0	0	113.4
1307	A	37.1	Very low	35.2	Very low	45 Å²	45	115 Å²	115	37%	0.372	62%	0.615	S	S	.	*	S	Bend	trans	-92.1	-6.1	179.7	0	0	0	0	0	114.3	L1304 S1310	L1304-A1307 HydrophobicContact CD2-CB 4.07Å; A1307-S1310 PolarHBondContact O-OG 2.98Å; A1307-S1310 VanDerWaalsContact O-OG 3.1Å
1308	N	35.6	Very low	35.8	Very low	84 Å²	84	118 Å²	118	45%	0.449	62%	0.623	S	S	.	*	H	α-helix	trans	-86.6	-3.4	-174.5	-90.2	-21.5	0	0	0	115.1
1309	D	35.6	Very low	36.3	Very low	141 Å²	141	119.3 Å²	119.3	75%	0.754	63%	0.63	S	S	*	*	H	α-helix	trans	-81.4	-15.4	174	-83.7	-16	0	0	0	113.6
1310	S	38	Very low	36.7	Very low	65 Å²	65	120.9 Å²	120.9	46%	0.455	63%	0.629	S	S	.	*	H	α-helix	trans	-86.4	-36.7	172.8	55.4	0	0	0	0	113.2	A1307 K1312 C1313	A1307-S1310 PolarHBondContact O-OG 2.98Å; A1307-S1310 VanDerWaalsContact O-OG 3.1Å; S1310-K1312 VanDerWaalsContact C-N 3.25Å; S1310-K1312 PolarHBondContact O-N 3.37Å; S1310-C1313 PolarHBondContact O-N 2.8Å
1311	V	40.8	Very low	36.6	Very low	87 Å²	87	122.7 Å²	122.7	53%	0.527	65%	0.654	S	S	.	*	H	α-helix	trans	-68.6	-23.7	-175.8	-176.1	0	0	0	0	112.5	C1313 F1314	V1311-C1313 PolarHBondContact O-N 2.86Å; V1311-C1313 VanDerWaalsContact O-N 3.11Å; V1311-F1314 PolarHBondContact O-N 3.02Å
1312	K	35.9	Very low	36.7	Very low	162 Å²	162	128.1 Å²	128.1	70%	0.704	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	-9	173.2	-106.3	176.2	-179.3	170.1	0	115.1	S1310	S1310-K1312 VanDerWaalsContact C-N 3.25Å; S1310-K1312 PolarHBondContact O-N 3.37Å
1313	C	36.5	Very low	37	Very low	93 Å²	93	123.5 Å²	123.5	63%	0.628	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	-8.7	175.1	-72.5	0	0	0	0	114.5	S1310 V1311	S1310-C1313 PolarHBondContact O-N 2.8Å; V1311-C1313 PolarHBondContact O-N 2.86Å; V1311-C1313 VanDerWaalsContact O-N 3.11Å
1314	F	37.3	Very low	37.3	Very low	124 Å²	124	125.7 Å²	125.7	54%	0.544	69%	0.686	S	S	.	*	S	Bend	trans	-94	-13.2	-169.7	-108.2	-83.1	0	0	0	115.8	V1311	V1311-F1314 PolarHBondContact O-N 3.02Å
1315	T	43	Very low	37.4	Very low	111 Å²	111	127.7 Å²	127.7	68%	0.681	70%	0.698	S	S	*	*	S	Bend	trans	-86.6	-15.8	177.6	48.4	0	0	0	0	114.4
1316	D	41.1	Very low	37.7	Very low	139 Å²	139	128 Å²	128	74%	0.743	70%	0.702	S	S	*	*	S	Bend	trans	-95.7	12	-173	-73.3	-2.3	0	0	0	114.1
1317	R	38.3	Very low	37.9	Very low	220 Å²	220	123.5 Å²	123.5	83%	0.83	69%	0.688	S	S	*	*			trans	-135.3	57.1	-179.3	-65.6	-168.7	-174.7	-175.9	5.1	114.1	P1319	R1317-P1319 VanDerWaalsContact O-CD 3.3Å; R1317-P1319 WeakPolarHBondContact O-CD 3.19Å
1318	I	39.2	Very low	37.9	Very low	142 Å²	142	129.1 Å²	129.1	73%	0.728	71%	0.71	S	S	*	*			trans	-100.6	99.3	158.7	-58.2	176	0	0	0	108.3
1319	P	41.6	Very low	38.1	Very low	112 Å²	112	132.6 Å²	132.6	73%	0.727	73%	0.731	S	S	*	*			trans	-73.3	123.6	158.9	30.3	-28.7	0	0	0	108.2	R1317 S1321	R1317-P1319 VanDerWaalsContact O-CD 3.3Å; R1317-P1319 WeakPolarHBondContact O-CD 3.19Å; P1319-S1321 PolarHBondContact O-N 3.33Å
1320	T	36.9	Very low	38.3	Very low	139 Å²	139	131.9 Å²	131.9	85%	0.853	73%	0.729	S	S	*	*			trans	-69.4	113.9	177.1	49.5	0	0	0	0	111.4
1321	S	31	Very low	38.3	Very low	189 Å²	189	138 Å²	138	100%	1.322	75%	0.753	S	S	*	*			trans	-153.7	0	159.6	66.3	0	0	0	0	110.2	P1319	P1319-S1321 PolarHBondContact O-N 3.33Å

Retrieved 1,321 of 1,321 residues in 385.6 ms (Link to these results)

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