A0A3Q0KET8_SCHMA Loading...

V-type proton ATPase subunit a

Essential component of the vacuolar proton pump (V-ATPase), a multimeric enzyme that catalyzes the translocation of protons across the membranes. Required for assembly and activity of the V-ATPase.

AlphaFold DB , UniProt , Accession A0A3Q0KET8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 868 aa.

						>A0A3Q0KET8_SCHMA|A0A3Q0KET8
MGSLFRSEEMQLSQMFLHTDIAYMCISELGELGLVQFRDTVPGTNAFQRKFVNEVRRCDEMERKLRFLEKEIEKDKFPILDTGENPEAPAPREIIDLESIFEKLENELKEVNSSAEKLKKTYLELSELKQILRKTQTFFDEANVESHLDLNPTNDPDHNSERDVTGHTNSNRRHVEFLAGIILRERLPAFERMLWRVCRGNVFLKQAEVDDPLEDLTTGMPVHKSVFLVFFQGDQLRTRVKKICDGFHATLYPCPDSQADRRNMAIEVMGQIQDLETVLTQTRQHRQRILETAAKNLRTWFIRVRKIKAIYHTLNLFNLDVTTKCMVGECWCAVNDVDKINLALRRGMERSNSTLQPILNGIVTTENPPTYHRTNKFTYAFQSIIDAYGVARYREVNPALFTVITFPFLFAVMFGDAGHGLLMFLFALWMVVCERKLSANKSGGEIWNIFFSGRYIILLMGLFSIYTGLIYNDIFSLSANIFGSSWYPTYDNSVLSKEVRLQLEPRTSVNVSDRMYAGYPYPFGLDPVWQLSGNKIMLTNSIKMKMSVVLGVLHMLLGISLGAFNYRNNKDNLSIWCLLLPQILFLSCIFLYLVILIFFKWVAYTAETASSAPSLLIGLINMIRFSYSDEIPPLYSGQKAVQSILMVVAVICVPWMLLSKPLILYMRHRAILKNRHYVDPDASVHVVVGGVTNPNMDDSFTGDNNGIMYSDMSPLHRSSSEKRSKVSLISQTDSPRSHDVHKFDFGDIMVHQSIHTIEFCLGCISNTASYLRLWALSLAHAQLSEVLWSMVMRMGLRISGLYGGVVLAFIFAFWAVLTVSILLCMEGLSAFLHTLRLHWVEFQNKFYSGDGYPFVPFTFEHSNSLVDN
					

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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	78.5	Confident	232 Å²	232	58.7 Å²	58.7	100%	1.143	32%	0.319	S	S	*	.				0	-14.4	0	-73.7	-162.1	-174.5	0	0	114.2	S3	M1-S3 PolarHBondContact O-N 3.5Å
2	G	51.2	Low	79.9	Confident	66 Å²	66	54.2 Å²	54.2	68%	0.68	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-14.1	176.8	0	0	0	0	0	115.9	L4	G2-L4 PolarHBondContact O-N 3.16Å
3	S	63.6	Low	80.9	Confident	31 Å²	31	50.2 Å²	50.2	22%	0.217	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-14.9	-170.8	64.8	0	0	0	0	115.9	M1 R6 E8	M1-S3 PolarHBondContact O-N 3.5Å; S3-R6 CarbonylContact C-O 3.57Å; S3-E8 WeakPolarHBondContact CB-OE1 3.39Å
4	L	76.9	Confident	81.9	Confident	29 Å²	29	49.9 Å²	49.9	15%	0.152	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-29.7	179.5	-170.3	66.3	0	0	0	111.5	G2 R6 T378 N397 L400	G2-L4 PolarHBondContact O-N 3.16Å; L4-R6 VanDerWaalsContact C-N 3.29Å; L4-R6 PolarHBondContact O-N 2.96Å; L4-T378 HydrophobicContact CD2-CG2 4.11Å; L4-N397 VanDerWaalsContact O-CB 3.25Å; L4-N397 WeakPolarHBondContact O-CB 3.47Å; L4-N397 PolarHBondContact O-ND2 2.96Å; L4-L400 HydrophobicContact CD2-CB 4.46Å; L4-L400 HydrophobicContact CD2-CD1 3.92Å
5	F	87.2	Confident	82.6	Confident	61 Å²	61	46.7 Å²	46.7	27%	0.268	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-31.3	-176.9	-176.7	-113.5	0	0	0	112.5	V396 N397 L400 F401	F5-V396 HydrophobicContact CD2-CG1 4.34Å; F5-V396 HydrophobicContact CE1-CG2 3.87Å; F5-V396 HydrophobicContact CE2-CG1 3.8Å; F5-V396 HydrophobicContact CE2-CG2 4.26Å; F5-V396 HydrophobicContact CZ-CG1 4.05Å; F5-V396 HydrophobicContact CZ-CG2 3.67Å; F5-V396 WeakPolarHBondContact O-CA 3.43Å; F5-N397 PolarHBondContact O-N 3.01Å; F5-L400 HydrophobicContact CD2-CD2 4.03Å; F5-F401 HydrophobicContact CE2-CE2 4.38Å; F5-F401 HydrophobicContact CE2-CZ 4.34Å
6	R	88.6	Confident	83.2	Confident	40 Å²	40	48.1 Å²	48.1	15%	0.151	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-143.6	169.4	178.4	-68.6	-179.7	-178.8	179.3	-9	109.7	S3 L4 V396 F564 N568	S3-R6 CarbonylContact C-O 3.57Å; L4-R6 VanDerWaalsContact C-N 3.29Å; L4-R6 PolarHBondContact O-N 2.96Å; R6-V396 HydrophobicContact CG-CG2 4.36Å; R6-F564 PolarHBondContact NH2-O 3.19Å; R6-N568 PolarHBondContact NH1-OD1 3.23Å
7	S	90.5	Very high	83.8	Confident	8 Å²	8	45.4 Å²	45.4	6%	0.056	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-62.3	152.5	170.5	74.4	0	0	0	0	111.5	Y371 H372 R394	S7-Y371 CarbonylContact C-O 3.28Å; S7-Y371 VanDerWaalsContact CA-O 3.31Å; S7-Y371 WeakPolarHBondContact CA-O 3.37Å; S7-H372 PolarHBondContact N-CE1 2.93Å; S7-R394 WeakPolarHBondContact OG-CA 3.14Å; S7-R394 PolarHBondContact OG-N 3.4Å
8	E	91.2	Very high	84.3	Confident	14 Å²	14	45.2 Å²	45.2	7%	0.065	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-60.6	153.7	169.3	-73.3	-75.4	173.9	0	0	110.8	S3 M10 N335 Y371 R373 Y393	S3-E8 WeakPolarHBondContact CB-OE1 3.39Å; E8-M10 PolarHBondContact O-N 3.47Å; E8-N335 PolarHBondContact OE2-ND2 3.31Å; E8-Y371 HydrophobicContact CB-CD1 4Å; E8-Y371 HydrophobicContact CG-CD1 3.89Å; E8-Y371 HydrophobicContact CG-CE1 4.35Å; E8-Y371 PolarHBondContact N-O 3.13Å; E8-R373 HydrophobicContact CG-CG 4.11Å; E8-R373 WeakPolarHBondContact OE1-CD 3.49Å; E8-R373 IonicContact OE1-CZ 3.35Å; E8-R373 IonicContact OE1-NE 3.85Å; E8-R373 PolarHBondContact OE1-NE 2.77Å; E8-R373 IonicContact OE1-NH1 3.89Å; E8-R373 PolarHBondContact OE1-NH1 3.01Å; E8-R373 VanDerWaalsContact OE1-NH1 3.14Å; E8-Y393 WeakPolarHBondContact O-CE2 3.36Å
9	E	91.4	Very high	84.5	Confident	86 Å²	86	44.8 Å²	44.8	40%	0.402	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-76.2	121.8	173.6	-64.6	-172	172.9	0	0	109.4	A333 V334 Y393 R394	E9-A333 CarbonylContact O-C 3.56Å; E9-A333 WeakPolarHBondContact O-CA 3.37Å; E9-V334 HydrophobicContact CB-CB 4.43Å; E9-V334 HydrophobicContact CB-CG2 4.04Å; E9-V334 WeakPolarHBondContact O-CG2 3.45Å; E9-V334 PolarHBondContact O-N 3.05Å; E9-Y393 WeakPolarHBondContact CA-OH 3.38Å; E9-R394 VanDerWaalsContact CD-NH1 3.31Å; E9-R394 IonicContact OE1-CZ 2.75Å; E9-R394 IonicContact OE1-NH1 3.92Å; E9-R394 PolarHBondContact OE1-NH1 3.29Å; E9-R394 IonicContact OE1-NH2 3.2Å; E9-R394 PolarHBondContact OE1-NH2 2.97Å
10	M	93.2	Very high	84.7	Confident	13 Å²	13	48.4 Å²	48.4	6%	0.064	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	143.7	177.7	-62.6	-54	-134.4	0	0	110.7	E8 W331 C332 A333 P368 P369 Y371 Y393 F854	E8-M10 PolarHBondContact O-N 3.47Å; M10-W331 HydrophobicContact CB-CE3 4.11Å; M10-W331 HydrophobicContact CB-CZ3 4.44Å; M10-C332 WeakPolarHBondContact CA-O 3.44Å; M10-A333 HydrophobicContact SD-CB 4Å; M10-P368 HydrophobicContact CB-CB 3.71Å; M10-P368 HydrophobicContact CG-CB 4.29Å; M10-P369 HydrophobicContact CE-CG 3.96Å; M10-P369 HydrophobicContact CG-CG 4.44Å; M10-P369 WeakPolarHBondContact CG-O 3.46Å; M10-Y371 VanDerWaalsContact CE-CB 3.46Å; M10-Y371 HydrophobicContact CE-CG 4.26Å; M10-Y393 HydrophobicContact CB-CE2 3.92Å; M10-Y393 HydrophobicContact CG-CE2 3.86Å; M10-Y393 PolarHBondContact N-OH 3.23Å; M10-Y393 PolarHBondContact O-OH 3.42Å; M10-F854 HydrophobicContact CE-CB 3.8Å; M10-F854 HydrophobicContact CE-CD1 3.93Å; M10-F854 HydrophobicContact CE-CD2 3.16Å; M10-F854 HydrophobicContact CE-CE1 4.27Å; M10-F854 HydrophobicContact CE-CE2 3.56Å; M10-F854 HydrophobicContact CE-CG 3.35Å; M10-F854 HydrophobicContact CE-CZ 4.1Å
11	Q	91.9	Very high	85	Confident	66 Å²	66	46.2 Å²	46.2	31%	0.308	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	135.6	172.9	178.1	170.9	18.4	0	0	109	C332 V334 G361	Q11-C332 PolarHBondContact N-O 3.09Å; Q11-C332 PolarHBondContact O-N 3.34Å; Q11-C332 VanDerWaalsContact O-N 3.15Å; Q11-V334 HydrophobicContact CB-CG2 3.88Å; Q11-G361 VanDerWaalsContact NE2-CA 3.28Å
12	L	95	Very high	87.7	Confident	4 Å²	4	35.2 Å²	35.2	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	122.9	168.1	-175.8	68.3	0	0	0	107.4	E329 W331 I362 T364	L12-E329 HydrophobicContact CD1-CB 4.35Å; L12-W331 HydrophobicContact CB-CD2 4.49Å; L12-W331 HydrophobicContact CB-CE3 4.02Å; L12-W331 HydrophobicContact CB-CH2 3.89Å; L12-W331 HydrophobicContact CB-CZ2 4.34Å; L12-W331 HydrophobicContact CB-CZ3 3.7Å; L12-W331 HydrophobicContact CD1-CD2 4.05Å; L12-W331 HydrophobicContact CD1-CE3 4.41Å; L12-W331 HydrophobicContact CD1-CZ2 4.13Å; L12-I362 HydrophobicContact CD2-CB 4.43Å; L12-I362 PolarHBondContact O-N 2.86Å; L12-T364 HydrophobicContact CB-CG2 3.85Å; L12-T364 HydrophobicContact CD2-CG2 3.79Å; L12-T364 HydrophobicContact CG-CG2 4.44Å
13	S	93.4	Very high	89.6	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.014	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	137.4	178.1	-60.4	0	0	0	0	110.5	C330 C332 N360	S13-C330 PolarHBondContact N-O 3.26Å; S13-C330 PolarHBondContact O-N 3.32Å; S13-C332 PolarHBondContact OG-SG 3.11Å; S13-N360 CarbonylContact C-O 3.37Å; S13-N360 VanDerWaalsContact CA-O 3.28Å; S13-N360 WeakPolarHBondContact CA-O 3.38Å
14	Q	94.3	Very high	91	Very high	46 Å²	46	33.4 Å²	33.4	22%	0.215	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	131	170.2	-155.2	172.4	30.9	0	0	109.3	F16 V327 G328 L359 N360 I362	Q14-F16 HydrophobicContact CB-CE2 4.24Å; Q14-F16 HydrophobicContact CG-CE2 3.98Å; Q14-F16 HydrophobicContact CG-CZ 4.06Å; Q14-F16 VanDerWaalsContact OE1-CZ 3.25Å; Q14-V327 HydrophobicContact CG-CG1 3.7Å; Q14-V327 VanDerWaalsContact NE2-CG1 3.26Å; Q14-G328 CarbonylContact C-O 3.54Å; Q14-G328 WeakPolarHBondContact CA-O 3.49Å; Q14-L359 WeakPolarHBondContact O-CA 3.29Å; Q14-N360 PolarHBondContact N-O 3.01Å; Q14-N360 PolarHBondContact O-N 2.75Å; Q14-I362 HydrophobicContact CB-CD1 3.56Å; Q14-I362 HydrophobicContact CB-CG1 4.13Å; Q14-I362 HydrophobicContact CG-CD1 4.06Å
15	M	92.9	Very high	91.8	Very high	2 Å²	2	32 Å²	32	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	125.8	-179.5	-170.8	179.6	54.6	0	0	109.4	L17 L29 F37 F317 V327 G328 L344 I358 L359	M15-L17 HydrophobicContact CE-CD1 3.4Å; M15-L17 HydrophobicContact CE-CG 3.91Å; M15-L17 HydrophobicContact CG-CD1 4.32Å; M15-L17 HydrophobicContact CG-CD2 3.84Å; M15-L17 HydrophobicContact CG-CG 3.81Å; M15-L17 HydrophobicContact SD-CD1 3.73Å; M15-L17 HydrophobicContact SD-CD2 3.89Å; M15-L17 HydrophobicContact SD-CG 3.87Å; M15-L29 HydrophobicContact CE-CD1 4.39Å; M15-L29 HydrophobicContact SD-CD1 3.83Å; M15-F37 HydrophobicContact CE-CE1 3.86Å; M15-F37 HydrophobicContact CE-CZ 4.47Å; M15-F317 HydrophobicContact CE-CD2 4.5Å; M15-F317 HydrophobicContact CE-CE1 4.37Å; M15-F317 HydrophobicContact CE-CE2 3.34Å; M15-F317 HydrophobicContact CE-CZ 3.27Å; M15-V327 WeakPolarHBondContact O-CA 3.48Å; M15-G328 PolarHBondContact N-O 2.84Å; M15-G328 PolarHBondContact O-N 3.46Å; M15-L344 HydrophobicContact SD-CD1 4.42Å; M15-L344 HydrophobicContact SD-CD2 3.84Å; M15-I358 WeakPolarHBondContact CA-O 3.29Å; M15-L359 HydrophobicContact CB-CD1 4.27Å
16	F	92.8	Very high	92.1	Very high	70 Å²	70	29.1 Å²	29.1	31%	0.307	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	112.6	173.1	-61.9	-91.5	0	0	0	108.9	Q14 V327 I358	Q14-F16 HydrophobicContact CB-CE2 4.24Å; Q14-F16 HydrophobicContact CG-CE2 3.98Å; Q14-F16 HydrophobicContact CG-CZ 4.06Å; Q14-F16 VanDerWaalsContact OE1-CZ 3.25Å; F16-V327 HydrophobicContact CD1-CG1 4.43Å; F16-V327 HydrophobicContact CD1-CG2 3.76Å; F16-V327 HydrophobicContact CE1-CG1 4.03Å; F16-V327 HydrophobicContact CE1-CG2 3.74Å; F16-V327 HydrophobicContact CZ-CG1 4.42Å; F16-I358 HydrophobicContact CB-CB 4.29Å; F16-I358 HydrophobicContact CD2-CB 4.34Å; F16-I358 HydrophobicContact CD2-CG2 4.42Å; F16-I358 PolarHBondContact N-O 3.11Å; F16-I358 PolarHBondContact O-N 3.43Å
17	L	92.9	Very high	92.3	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	133.5	177.9	-58.7	-179.2	0	0	0	110	M15 A22 C25 I26 F317 C325 M326 L344 P357	M15-L17 HydrophobicContact CE-CD1 3.4Å; M15-L17 HydrophobicContact CE-CG 3.91Å; M15-L17 HydrophobicContact CG-CD1 4.32Å; M15-L17 HydrophobicContact CG-CD2 3.84Å; M15-L17 HydrophobicContact CG-CG 3.81Å; M15-L17 HydrophobicContact SD-CD1 3.73Å; M15-L17 HydrophobicContact SD-CD2 3.89Å; M15-L17 HydrophobicContact SD-CG 3.87Å; L17-A22 HydrophobicContact CB-CB 3.89Å; L17-A22 HydrophobicContact CD1-CB 4Å; L17-C25 HydrophobicContact CD1-CB 4.05Å; L17-C25 HydrophobicContact CD2-CB 4.03Å; L17-I26 HydrophobicContact CD1-CG1 4.25Å; L17-F317 HydrophobicContact CD1-CE2 4.09Å; L17-C325 CarbonylContact O-C 3.07Å; L17-C325 WeakPolarHBondContact O-CA 3.4Å; L17-M326 PolarHBondContact N-O 2.95Å; L17-M326 PolarHBondContact O-N 3.41Å; L17-L344 HydrophobicContact CD2-CD2 4.14Å; L17-P357 HydrophobicContact CD2-CB 3.56Å
18	H	92	Very high	92.3	Very high	43 Å²	43	27.8 Å²	27.8	20%	0.199	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	146.3	167.5	-168.7	-99.2	0	0	0	110.2	D20 I21 A22 K324 L355	H18-D20 IonicContact CE1-OD1 3.31Å; H18-D20 IonicContact CE1-OD2 3.47Å; H18-D20 PolarHBondContact CE1-OD2 2.84Å; H18-D20 PolarHBondContact ND1-N 2.98Å; H18-D20 IonicContact ND1-OD1 3.43Å; H18-D20 IonicContact ND1-OD2 3.65Å; H18-D20 PolarHBondContact ND1-OD2 3.17Å; H18-D20 PolarHBondContact O-N 3.34Å; H18-I21 PolarHBondContact O-N 3.45Å; H18-I21 VanDerWaalsContact O-N 3.13Å; H18-A22 WeakPolarHBondContact O-CB 3.31Å; H18-A22 PolarHBondContact O-N 3.08Å; H18-A22 VanDerWaalsContact O-N 3.08Å; H18-K324 PolarHBondContact CD2-O 3.43Å; H18-L355 HydrophobicContact CB-CD1 3.62Å
19	T	89.4	Confident	92.4	Very high	37 Å²	37	27.2 Å²	27.2	23%	0.227	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-33	-177.6	48.7	0	0	0	0	114	L319 K324 M326	T19-L319 HydrophobicContact CG2-CD1 3.71Å; T19-K324 WeakPolarHBondContact CG2-O 3.48Å; T19-K324 PolarHBondContact N-O 3Å; T19-K324 VanDerWaalsContact N-O 3.11Å; T19-M326 HydrophobicContact CG2-CE 4.42Å; T19-M326 HydrophobicContact CG2-CG 4.15Å; T19-M326 HydrophobicContact CG2-SD 4.27Å
20	D	87.9	Confident	92.4	Very high	116 Å²	116	23.1 Å²	23.1	62%	0.62	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-28	-174.6	-56.9	-11.4	0	0	0	113.2	H18	H18-D20 IonicContact CE1-OD1 3.31Å; H18-D20 IonicContact CE1-OD2 3.47Å; H18-D20 PolarHBondContact CE1-OD2 2.84Å; H18-D20 PolarHBondContact ND1-N 2.98Å; H18-D20 IonicContact ND1-OD1 3.43Å; H18-D20 IonicContact ND1-OD2 3.65Å; H18-D20 PolarHBondContact ND1-OD2 3.17Å; H18-D20 PolarHBondContact O-N 3.34Å
21	I	91.7	Very high	92.2	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.021	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-25	-178	-50.7	-178.8	0	0	0	110.9	H18 Y23 M24 C25 M348 S353 L355	H18-I21 PolarHBondContact O-N 3.45Å; H18-I21 VanDerWaalsContact O-N 3.13Å; I21-Y23 VanDerWaalsContact C-N 3.27Å; I21-Y23 PolarHBondContact O-N 3.25Å; I21-Y23 VanDerWaalsContact O-N 3.08Å; I21-M24 PolarHBondContact O-N 3.13Å; I21-C25 WeakPolarHBondContact CG2-SG 3.37Å; I21-C25 PolarHBondContact O-N 3.19Å; I21-M348 HydrophobicContact CG2-CB 4.43Å; I21-S353 VanDerWaalsContact CD1-CB 3.48Å; I21-S353 WeakPolarHBondContact CD1-OG 3.31Å; I21-L355 HydrophobicContact CD1-CB 3.72Å; I21-L355 WeakPolarHBondContact CD1-O 3.38Å
22	A	92.7	Very high	92.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-56.3	-37	-165.4	0	0	0	0	0	114.8	L17 H18 C25 I26 L314 M326	L17-A22 HydrophobicContact CB-CB 3.89Å; L17-A22 HydrophobicContact CD1-CB 4Å; H18-A22 WeakPolarHBondContact O-CB 3.31Å; H18-A22 PolarHBondContact O-N 3.08Å; H18-A22 VanDerWaalsContact O-N 3.08Å; A22-C25 PolarHBondContact O-N 3.03Å; A22-I26 WeakPolarHBondContact O-CB 3.35Å; A22-I26 VanDerWaalsContact O-CG1 3.28Å; A22-I26 WeakPolarHBondContact O-CG1 3.41Å; A22-I26 PolarHBondContact O-N 2.99Å; A22-L314 HydrophobicContact CB-CD2 3.87Å; A22-M326 HydrophobicContact CB-CE 2.98Å
23	Y	93.1	Very high	91.9	Very high	18 Å²	18	26.4 Å²	26.4	7%	0.071	13%	0.133	C	C	.	.	H	α-helix	trans	-59.7	-47	175.7	-176.9	-84.2	0	0	0	111.9	I21 I26 S27 P89 P91 I307 I310 Y311	I21-Y23 VanDerWaalsContact C-N 3.27Å; I21-Y23 PolarHBondContact O-N 3.25Å; I21-Y23 VanDerWaalsContact O-N 3.08Å; Y23-I26 PolarHBondContact O-N 3.4Å; Y23-S27 PolarHBondContact O-N 3.37Å; Y23-S27 PolarHBondContact O-OG 3.05Å; Y23-P89 VanDerWaalsContact CE1-O 3.3Å; Y23-P89 WeakPolarHBondContact CE1-O 3.47Å; Y23-P89 PolarHBondContact OH-O 3.12Å; Y23-P91 HydrophobicContact CD1-CB 4.38Å; Y23-P91 HydrophobicContact CD1-CG 4.2Å; Y23-P91 HydrophobicContact CE1-CB 4.37Å; Y23-P91 HydrophobicContact CE1-CG 4.44Å; Y23-P91 HydrophobicContact CG-CB 4.47Å; Y23-I307 WeakPolarHBondContact OH-CG1 3.37Å; Y23-I310 HydrophobicContact CD2-CG2 3.57Å; Y23-I310 HydrophobicContact CE1-CD1 4.41Å; Y23-I310 HydrophobicContact CE2-CB 4.25Å; Y23-I310 HydrophobicContact CE2-CD1 4.21Å; Y23-I310 HydrophobicContact CE2-CG2 3.76Å; Y23-I310 HydrophobicContact CG-CG2 4.19Å; Y23-Y311 HydrophobicContact CD2-CE1 4.02Å; Y23-Y311 AromaticContact CD2-CZ 4Å; Y23-Y311 HydrophobicContact CE2-CE1 4.25Å; Y23-Y311 HydrophobicContact CE2-CE2 4.1Å; Y23-Y311 AromaticContact CE2-CZ 3.81Å
24	M	92.1	Very high	91.8	Very high	42 Å²	42	27.9 Å²	27.9	21%	0.207	14%	0.141	C	C	.	.	H	α-helix	trans	-72.5	-33.9	-180	-64.9	-57.9	-145.4	0	0	112.5	I21 S27 E28 A90	I21-M24 PolarHBondContact O-N 3.13Å; M24-S27 WeakPolarHBondContact CA-OG 3.22Å; M24-S27 PolarHBondContact O-OG 3.28Å; M24-E28 WeakPolarHBondContact O-CG 3.47Å; M24-E28 PolarHBondContact O-N 3.49Å; M24-A90 HydrophobicContact CE-CB 4.31Å
25	C	92.8	Very high	91.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.7	-43.8	173.2	-78.6	0	0	0	0	111.5	L17 I21 A22 E28 L29 L344	L17-C25 HydrophobicContact CD1-CB 4.05Å; L17-C25 HydrophobicContact CD2-CB 4.03Å; I21-C25 WeakPolarHBondContact CG2-SG 3.37Å; I21-C25 PolarHBondContact O-N 3.19Å; A22-C25 PolarHBondContact O-N 3.03Å; C25-E28 PolarHBondContact O-N 3.36Å; C25-L29 VanDerWaalsContact O-CG 3.28Å; C25-L29 WeakPolarHBondContact O-CG 3.47Å; C25-L29 PolarHBondContact O-N 3.43Å; C25-L344 HydrophobicContact CB-CD2 3.81Å
26	I	93.7	Very high	91.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-71.1	-33.2	-179.4	-68.1	168.4	0	0	0	111.4	L17 A22 Y23 L29 G30 I310 T313 L314 F317 F857	L17-I26 HydrophobicContact CD1-CG1 4.25Å; A22-I26 WeakPolarHBondContact O-CB 3.35Å; A22-I26 VanDerWaalsContact O-CG1 3.28Å; A22-I26 WeakPolarHBondContact O-CG1 3.41Å; A22-I26 PolarHBondContact O-N 2.99Å; Y23-I26 PolarHBondContact O-N 3.4Å; I26-L29 PolarHBondContact O-N 3.16Å; I26-G30 PolarHBondContact O-N 3.08Å; I26-I310 HydrophobicContact CB-CG2 4.21Å; I26-I310 HydrophobicContact CG2-CB 4.35Å; I26-I310 HydrophobicContact CG2-CG1 4.27Å; I26-I310 HydrophobicContact CG2-CG2 3.92Å; I26-T313 WeakPolarHBondContact CG2-OG1 3.21Å; I26-L314 HydrophobicContact CD1-CD1 4.45Å; I26-L314 HydrophobicContact CD1-CD2 3.18Å; I26-L314 HydrophobicContact CD1-CG 3.45Å; I26-L314 VanDerWaalsContact CD1-CG 3.45Å; I26-F317 HydrophobicContact CD1-CE2 3.69Å; I26-F317 HydrophobicContact CD1-CZ 4.06Å; I26-F317 HydrophobicContact CG1-CE2 4.37Å; I26-F857 HydrophobicContact CG2-CE1 3.79Å; I26-F857 HydrophobicContact CG2-CZ 4.3Å
27	S	92.7	Very high	91.9	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-61.4	-47.1	172.4	65.2	0	0	0	0	111.4	Y23 M24 L29 G30 E31 F859	Y23-S27 PolarHBondContact O-N 3.37Å; Y23-S27 PolarHBondContact O-OG 3.05Å; M24-S27 WeakPolarHBondContact CA-OG 3.22Å; M24-S27 PolarHBondContact O-OG 3.28Å; S27-L29 VanDerWaalsContact C-N 3.33Å; S27-L29 PolarHBondContact O-N 2.98Å; S27-G30 PolarHBondContact O-N 3.09Å; S27-E31 WeakPolarHBondContact O-CG 3.46Å; S27-E31 PolarHBondContact O-N 2.96Å; S27-F859 WeakPolarHBondContact O-CE2 3.49Å
28	E	91.4	Very high	91.8	Very high	17 Å²	17	29 Å²	29	8%	0.079	14%	0.143	C	C	.	.	H	α-helix	trans	-61.9	-39.4	174.9	-69.5	-61.6	132.8	0	0	112.5	M24 C25 G30 E31 L32 A343 R346 R350	M24-E28 WeakPolarHBondContact O-CG 3.47Å; M24-E28 PolarHBondContact O-N 3.49Å; C25-E28 PolarHBondContact O-N 3.36Å; E28-G30 VanDerWaalsContact C-N 3.35Å; E28-E31 PolarHBondContact O-N 2.93Å; E28-L32 WeakPolarHBondContact O-CB 3.47Å; E28-L32 PolarHBondContact O-N 2.93Å; E28-L32 VanDerWaalsContact O-N 3.14Å; E28-A343 HydrophobicContact CB-CB 4.29Å; E28-R346 HydrophobicContact CG-CB 4.32Å; E28-R350 VanDerWaalsContact OE1-CD 3.29Å; E28-R350 WeakPolarHBondContact OE1-CD 3.24Å; E28-R350 IonicContact OE1-CZ 2.78Å; E28-R350 IonicContact OE1-NE 3.96Å; E28-R350 PolarHBondContact OE1-NE 2.89Å; E28-R350 VanDerWaalsContact OE1-NE 3.12Å; E28-R350 IonicContact OE1-NH1 3.11Å; E28-R350 PolarHBondContact OE1-NH1 3.25Å; E28-R350 IonicContact OE1-NH2 3.82Å
29	L	92.9	Very high	91.8	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-66	-36.9	175.6	-70.4	178.2	0	0	0	112.4	M15 C25 I26 S27 L32 G33 V35 F37 I340 A343 L344	M15-L29 HydrophobicContact CE-CD1 4.39Å; M15-L29 HydrophobicContact SD-CD1 3.83Å; C25-L29 VanDerWaalsContact O-CG 3.28Å; C25-L29 WeakPolarHBondContact O-CG 3.47Å; C25-L29 PolarHBondContact O-N 3.43Å; I26-L29 PolarHBondContact O-N 3.16Å; S27-L29 VanDerWaalsContact C-N 3.33Å; S27-L29 PolarHBondContact O-N 2.98Å; L29-L32 PolarHBondContact O-N 3.32Å; L29-G33 PolarHBondContact O-N 3.44Å; L29-V35 HydrophobicContact CD2-CG2 4.23Å; L29-F37 HydrophobicContact CD1-CZ 4.07Å; L29-I340 HydrophobicContact CD2-CG2 3.75Å; L29-A343 HydrophobicContact CD2-CB 4.26Å; L29-L344 HydrophobicContact CD1-CD2 3.91Å; L29-L344 HydrophobicContact CD2-CD2 4.37Å; L29-L344 HydrophobicContact CD2-CG 4.39Å; L29-L344 HydrophobicContact CG-CD2 4.19Å
30	G	91.4	Very high	91.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-71.6	-31.5	177.7	0	0	0	0	0	113.9	I26 S27 E28 L32 T858 F859	I26-G30 PolarHBondContact O-N 3.08Å; S27-G30 PolarHBondContact O-N 3.09Å; E28-G30 VanDerWaalsContact C-N 3.35Å; G30-L32 VanDerWaalsContact C-N 3.34Å; G30-T858 WeakPolarHBondContact O-CA 3.43Å; G30-F859 VanDerWaalsContact C-CE2 3.42Å; G30-F859 WeakPolarHBondContact O-CD2 3.35Å; G30-F859 PolarHBondContact O-N 3.14Å
31	E	89.6	Confident	91.7	Very high	84 Å²	84	25.2 Å²	25.2	39%	0.393	13%	0.126	S	C	.	.	H	α-helix	trans	-71	-32.3	170.5	-65.7	-62.5	169.3	0	0	111.5	S27 E28 K306 F859	S27-E31 WeakPolarHBondContact O-CG 3.46Å; S27-E31 PolarHBondContact O-N 2.96Å; E28-E31 PolarHBondContact O-N 2.93Å; E31-K306 IonicContact OE1-NZ 3.08Å; E31-K306 PolarHBondContact OE1-NZ 3.27Å; E31-K306 IonicContact OE2-NZ 3.38Å; E31-K306 PolarHBondContact OE2-NZ 2.99Å; E31-F859 HydrophobicContact CG-CD2 4.04Å; E31-F859 HydrophobicContact CG-CE2 4.02Å
32	L	89.9	Confident	91.5	Very high	59 Å²	59	30 Å²	30	31%	0.309	16%	0.157	S	C	.	.	H	α-helix	trans	-79.8	-37.6	-179.8	178.4	136.5	0	0	0	113.1	E28 L29 G30 L34 K339 I340 A343	E28-L32 WeakPolarHBondContact O-CB 3.47Å; E28-L32 PolarHBondContact O-N 2.93Å; E28-L32 VanDerWaalsContact O-N 3.14Å; L29-L32 PolarHBondContact O-N 3.32Å; G30-L32 VanDerWaalsContact C-N 3.34Å; L32-L34 HydrophobicContact CD2-CB 3.47Å; L32-L34 VanDerWaalsContact CD2-CB 3.47Å; L32-L34 HydrophobicContact CD2-CD1 3.56Å; L32-L34 HydrophobicContact CD2-CG 3.39Å; L32-L34 HydrophobicContact CG-CD1 4.03Å; L32-L34 HydrophobicContact CG-CG 4.03Å; L32-K339 HydrophobicContact CD1-CB 4.19Å; L32-I340 HydrophobicContact CD2-CG1 4.3Å; L32-A343 HydrophobicContact CD1-CB 4.03Å
33	G	89.9	Confident	91.2	Very high	9 Å²	9	33.6 Å²	33.6	9%	0.093	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	35.3	168.6	0	0	0	0	0	116.2	L29 P856 F857 T858	L29-G33 PolarHBondContact O-N 3.44Å; G33-P856 WeakPolarHBondContact O-CB 3.49Å; G33-P856 WeakPolarHBondContact O-CG 3.43Å; G33-F857 WeakPolarHBondContact CA-O 3.34Å; G33-T858 WeakPolarHBondContact CA-OG1 3.5Å
34	L	91.6	Very high	91.1	Very high	32 Å²	32	35 Å²	35	17%	0.168	20%	0.204	C	C	.	.			trans	-120.6	9.5	-176.6	-55.5	-179.5	0	0	0	114.4	L32 D336 K339 F854	L32-L34 HydrophobicContact CD2-CB 3.47Å; L32-L34 VanDerWaalsContact CD2-CB 3.47Å; L32-L34 HydrophobicContact CD2-CD1 3.56Å; L32-L34 HydrophobicContact CD2-CG 3.39Å; L32-L34 HydrophobicContact CG-CD1 4.03Å; L32-L34 HydrophobicContact CG-CG 4.03Å; L34-D336 HydrophobicContact CD1-CB 3.84Å; L34-K339 HydrophobicContact CD1-CD 4.06Å; L34-F854 WeakPolarHBondContact O-CZ 3.13Å
35	V	93.5	Very high	91	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	126	-172.1	-178.9	0	0	0	0	110	L29 F37 C330 I340 F857	L29-V35 HydrophobicContact CD2-CG2 4.23Å; V35-F37 HydrophobicContact CG1-CD1 4.31Å; V35-F37 HydrophobicContact CG1-CE1 3.92Å; V35-F37 HydrophobicContact CG1-CZ 4.05Å; V35-C330 HydrophobicContact CG1-CB 3.23Å; V35-C330 WeakPolarHBondContact CG1-SG 3.38Å; V35-I340 HydrophobicContact CG2-CD1 3.57Å; V35-I340 HydrophobicContact CG2-CG1 3.79Å; V35-I340 HydrophobicContact CG2-CG2 4.17Å; V35-F857 WeakPolarHBondContact O-CB 3.49Å; V35-F857 PolarHBondContact O-N 2.94Å
36	Q	94.6	Very high	90.7	Very high	38 Å²	38	40.8 Å²	40.8	18%	0.178	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	116	171.8	178.2	175.2	8.5	0	0	109.4	C330 W331 F854 V855	Q36-C330 CarbonylContact O-C 3.58Å; Q36-C330 WeakPolarHBondContact O-CA 3.18Å; Q36-C330 WeakPolarHBondContact O-CB 3.37Å; Q36-W331 HydrophobicContact CB-CB 4.34Å; Q36-W331 PolarHBondContact N-O 2.66Å; Q36-W331 PolarHBondContact O-N 3.19Å; Q36-F854 HydrophobicContact CB-CD2 3.83Å; Q36-F854 HydrophobicContact CB-CE2 3.42Å; Q36-F854 VanDerWaalsContact CB-CE2 3.42Å; Q36-F854 HydrophobicContact CB-CZ 4.26Å; Q36-V855 WeakPolarHBondContact CB-O 3.19Å; Q36-V855 VanDerWaalsContact CG-O 3.29Å; Q36-V855 WeakPolarHBondContact CG-O 3Å
37	F	93.9	Very high	90.5	Very high	23 Å²	23	47.5 Å²	47.5	10%	0.101	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	141.4	179.2	-65.5	-68.2	0	0	0	111.7	M15 L29 V35 T313 L316 F317 C330 F857	M15-F37 HydrophobicContact CE-CE1 3.86Å; M15-F37 HydrophobicContact CE-CZ 4.47Å; L29-F37 HydrophobicContact CD1-CZ 4.07Å; V35-F37 HydrophobicContact CG1-CD1 4.31Å; V35-F37 HydrophobicContact CG1-CE1 3.92Å; V35-F37 HydrophobicContact CG1-CZ 4.05Å; F37-T313 HydrophobicContact CD2-CG2 3.76Å; F37-T313 HydrophobicContact CE2-CG2 4.17Å; F37-L316 HydrophobicContact CB-CD1 3.9Å; F37-F317 AromaticContact CD1-CE1 3.43Å; F37-F317 HydrophobicContact CD1-CE1 3.43Å; F37-F317 VanDerWaalsContact CD1-CE1 3.43Å; F37-F317 AromaticContact CD1-CZ 3.67Å; F37-F317 HydrophobicContact CD1-CZ 3.67Å; F37-F317 AromaticContact CE1-CE1 3.76Å; F37-F317 HydrophobicContact CE1-CE1 3.76Å; F37-F317 AromaticContact CE1-CZ 3.45Å; F37-F317 HydrophobicContact CE1-CZ 3.45Å; F37-F317 VanDerWaalsContact CE1-CZ 3.45Å; F37-F317 HydrophobicContact CG-CE1 4.1Å; F37-F317 HydrophobicContact CG-CZ 4.49Å; F37-F317 HydrophobicContact CZ-CZ 4.11Å; F37-C330 HydrophobicContact CD1-CB 3.8Å; F37-C330 HydrophobicContact CE1-CB 4.12Å; F37-F857 HydrophobicContact CD2-CB 3.85Å; F37-F857 HydrophobicContact CD2-CD1 4.45Å; F37-F857 HydrophobicContact CD2-CG 4.13Å; F37-F857 HydrophobicContact CE2-CB 3.85Å; F37-F857 AromaticContact CE2-CD1 3.78Å; F37-F857 HydrophobicContact CE2-CD1 3.78Å; F37-F857 AromaticContact CE2-CG 3.92Å; F37-F857 HydrophobicContact CE2-CG 3.92Å
38	R	91.7	Very high	90.4	Very high	80 Å²	80	53 Å²	53	30%	0.302	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	145.1	170.5	-178.5	-175	168.8	-174.4	15.9	109.2	T40 E329 E366	R38-T40 PolarHBondContact O-N 3.11Å; R38-E329 HydrophobicContact CB-CB 4.19Å; R38-E329 WeakPolarHBondContact CD-OE2 3.49Å; R38-E329 IonicContact CZ-OE2 3.82Å; R38-E329 PolarHBondContact N-O 2.97Å; R38-E329 IonicContact NE-OE2 3.45Å; R38-E329 IonicContact NH1-OE2 2.75Å; R38-E329 PolarHBondContact NH1-OE2 3.45Å; R38-E366 IonicContact CZ-OE1 2.68Å; R38-E366 IonicContact CZ-OE2 3.57Å; R38-E366 VanDerWaalsContact CZ-OE2 3.24Å; R38-E366 IonicContact NE-OE2 3.05Å; R38-E366 IonicContact NH1-OE1 3.17Å; R38-E366 PolarHBondContact NH1-OE1 2.9Å; R38-E366 IonicContact NH1-OE2 3.4Å; R38-E366 PolarHBondContact NH1-OE2 3.41Å; R38-E366 IonicContact NH2-OE1 2.73Å; R38-E366 PolarHBondContact NH2-OE1 2.68Å; R38-E366 IonicContact NH2-OE2 2.85Å; R38-E366 PolarHBondContact NH2-OE2 3.12Å
39	D	91.9	Very high	90.3	Very high	47 Å²	47	54.1 Å²	54.1	25%	0.251	31%	0.305	S	S	.	.			trans	-70.9	109.4	169.1	-164.1	-13.2	0	0	0	110	V41 R49 L316	D39-V41 VanDerWaalsContact C-N 3.28Å; D39-V41 PolarHBondContact OD1-N 3.43Å; D39-R49 IonicContact OD1-NH2 3.98Å; D39-R49 IonicContact OD2-CZ 3.17Å; D39-R49 IonicContact OD2-NH1 2.7Å; D39-R49 IonicContact OD2-NH2 2.87Å; D39-R49 PolarHBondContact OD2-NH2 3.02Å; D39-L316 HydrophobicContact CB-CD2 3.83Å
40	T	89.1	Confident	90	Very high	35 Å²	35	59.2 Å²	59.2	22%	0.215	33%	0.327	C	S	.	.	S	Bend	trans	-79.9	-13.1	177.7	59.5	0	0	0	0	112.4	R38 P42 L316 N318 E329	R38-T40 PolarHBondContact O-N 3.11Å; T40-P42 VanDerWaalsContact C-CD 3.46Å; T40-L316 PolarHBondContact N-O 2.85Å; T40-L316 PolarHBondContact OG1-O 2.9Å; T40-N318 PolarHBondContact OG1-N 3.31Å; T40-E329 HydrophobicContact CG2-CB 3.86Å; T40-E329 HydrophobicContact CG2-CG 3.85Å
41	V	86.8	Confident	90	Very high	35 Å²	35	60.5 Å²	60.5	21%	0.212	33%	0.333	C	S	.	.			trans	-131.6	59.8	-175.5	-157.3	0	0	0	0	111.8	D39 G43 T44 N318	D39-V41 VanDerWaalsContact C-N 3.28Å; D39-V41 PolarHBondContact OD1-N 3.43Å; V41-G43 PolarHBondContact O-N 2.9Å; V41-G43 VanDerWaalsContact O-N 3.12Å; V41-T44 HydrophobicContact CB-CG2 4.48Å; V41-T44 HydrophobicContact CG1-CG2 3.34Å; V41-T44 VanDerWaalsContact CG1-OG1 3.31Å; V41-T44 WeakPolarHBondContact CG1-OG1 3.35Å; V41-T44 PolarHBondContact O-N 3.46Å; V41-T44 VanDerWaalsContact O-N 3.11Å; V41-T44 PolarHBondContact O-OG1 3.25Å; V41-N318 HydrophobicContact CG2-CB 3.83Å
42	P	86.3	Confident	90.1	Very high	105 Å²	105	58 Å²	58	68%	0.682	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.5	-175.2	26.9	-35.7	0	0	0	113.5	T40 T44	T40-P42 VanDerWaalsContact C-CD 3.46Å; P42-T44 VanDerWaalsContact C-N 3.32Å; P42-T44 PolarHBondContact O-N 3.43Å
43	G	87.7	Confident	90.2	Very high	75 Å²	75	60.2 Å²	60.2	77%	0.773	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-7.7	178.8	0	0	0	0	0	115.1	V41	V41-G43 PolarHBondContact O-N 2.9Å; V41-G43 VanDerWaalsContact O-N 3.12Å
44	T	89.2	Confident	90.3	Very high	47 Å²	47	62.5 Å²	62.5	29%	0.288	34%	0.343	S	S	.	.	S	Bend	trans	-92.8	129.5	178.8	54.6	0	0	0	0	111.9	V41 P42	V41-T44 HydrophobicContact CB-CG2 4.48Å; V41-T44 HydrophobicContact CG1-CG2 3.34Å; V41-T44 VanDerWaalsContact CG1-OG1 3.31Å; V41-T44 WeakPolarHBondContact CG1-OG1 3.35Å; V41-T44 PolarHBondContact O-N 3.46Å; V41-T44 VanDerWaalsContact O-N 3.11Å; V41-T44 PolarHBondContact O-OG1 3.25Å; P42-T44 VanDerWaalsContact C-N 3.32Å; P42-T44 PolarHBondContact O-N 3.43Å
45	N	90.5	Very high	90.3	Very high	90 Å²	90	61.9 Å²	61.9	48%	0.481	34%	0.341	S	S	.	.			trans	-63.6	146.7	174.4	-70.3	-35.2	0	0	0	110.5	F47 Q48	N45-F47 HydrophobicContact CB-CD1 3.68Å; N45-F47 HydrophobicContact CB-CE1 3.37Å; N45-F47 HydrophobicContact CB-CZ 4.04Å; N45-F47 PolarHBondContact O-N 3.32Å; N45-F47 VanDerWaalsContact O-N 3.07Å; N45-Q48 HydrophobicContact CB-CG 4.29Å; N45-Q48 PolarHBondContact O-N 3.18Å
46	A	87.4	Confident	90.3	Very high	74 Å²	74	70.2 Å²	70.2	61%	0.612	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-54.1	-33.9	-176.9	0	0	0	0	0	114	Q48	A46-Q48 VanDerWaalsContact C-N 3.34Å
47	F	89	Confident	90.2	Very high	141 Å²	141	73.3 Å²	73.3	62%	0.618	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-76.8	-16.5	179.4	70.5	-93.1	0	0	0	114.6	N45	N45-F47 HydrophobicContact CB-CD1 3.68Å; N45-F47 HydrophobicContact CB-CE1 3.37Å; N45-F47 HydrophobicContact CB-CZ 4.04Å; N45-F47 PolarHBondContact O-N 3.32Å; N45-F47 VanDerWaalsContact O-N 3.07Å
48	Q	89.8	Confident	90.2	Very high	119 Å²	119	72.2 Å²	72.2	56%	0.556	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-89.2	-9.1	179.2	-63.6	176.3	-26.6	0	0	112	N45 A46	N45-Q48 HydrophobicContact CB-CG 4.29Å; N45-Q48 PolarHBondContact O-N 3.18Å; A46-Q48 VanDerWaalsContact C-N 3.34Å
49	R	89.3	Confident	90.2	Very high	40 Å²	40	71.2 Å²	71.2	15%	0.151	38%	0.378	C	S	.	.	S	Bend	trans	-70.3	144.4	179.6	-60.7	-173.2	176.7	-163.5	4	110.5	D39 F51 V52 N315	D39-R49 IonicContact OD1-NH2 3.98Å; D39-R49 IonicContact OD2-CZ 3.17Å; D39-R49 IonicContact OD2-NH1 2.7Å; D39-R49 IonicContact OD2-NH2 2.87Å; D39-R49 PolarHBondContact OD2-NH2 3.02Å; R49-F51 PolarHBondContact O-N 3.45Å; R49-V52 WeakPolarHBondContact O-CB 3.37Å; R49-V52 WeakPolarHBondContact O-CG1 3.45Å; R49-V52 PolarHBondContact O-N 3.03Å; R49-N315 HydrophobicContact CB-CB 4.31Å; R49-N315 WeakPolarHBondContact CD-O 3.42Å; R49-N315 PolarHBondContact NH1-O 3.18Å; R49-N315 VanDerWaalsContact NH1-O 3.09Å
50	K	87.3	Confident	90.3	Very high	109 Å²	109	73.1 Å²	73.1	47%	0.474	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-47.7	-171.2	-177	-173.4	-169.9	174.9	0	113.3	V52 L319	K50-V52 VanDerWaalsContact C-N 3.28Å; K50-V52 PolarHBondContact O-N 3.45Å; K50-L319 HydrophobicContact CD-CD2 3.92Å
51	F	90.4	Very high	90.5	Very high	27 Å²	27	71.5 Å²	71.5	12%	0.118	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	24.3	-173	-56.2	-80.5	0	0	0	113.1	R49 N53 E54 V55 Y311 L314 N315 M326	R49-F51 PolarHBondContact O-N 3.45Å; F51-N53 VanDerWaalsContact C-N 3.3Å; F51-N53 PolarHBondContact O-N 3.3Å; F51-E54 VanDerWaalsContact C-OE2 3.24Å; F51-E54 WeakPolarHBondContact CA-OE2 3.31Å; F51-V55 WeakPolarHBondContact O-CG2 3.48Å; F51-V55 PolarHBondContact O-N 3.34Å; F51-Y311 HydrophobicContact CB-CD1 4.24Å; F51-Y311 HydrophobicContact CD1-CD1 4.05Å; F51-Y311 HydrophobicContact CD1-CE1 4.31Å; F51-Y311 HydrophobicContact CG-CD1 4.29Å; F51-L314 HydrophobicContact CD2-CB 3.69Å; F51-L314 HydrophobicContact CE2-CB 3.78Å; F51-L314 HydrophobicContact CE2-CD1 4.43Å; F51-L314 HydrophobicContact CE2-CD2 4.42Å; F51-L314 HydrophobicContact CE2-CG 4.46Å; F51-L314 HydrophobicContact CG-CB 4.41Å; F51-L314 HydrophobicContact CZ-CD1 4.4Å; F51-N315 VanDerWaalsContact CA-OD1 3.32Å; F51-N315 WeakPolarHBondContact CA-OD1 3.37Å; F51-N315 VanDerWaalsContact CB-OD1 3.25Å; F51-N315 WeakPolarHBondContact CB-OD1 3.49Å; F51-N315 PolarHBondContact N-OD1 3.13Å; F51-N315 PolarHBondContact O-ND2 3.4Å; F51-M326 HydrophobicContact CE2-SD 3.7Å; F51-M326 HydrophobicContact CZ-SD 3.87Å
52	V	92.3	Very high	90.7	Very high	32 Å²	32	70.2 Å²	70.2	19%	0.194	37%	0.367	C	S	.	.	H	α-helix	trans	-65.5	-35.4	179.6	69.4	0	0	0	0	111.8	R49 K50 E54 V55 R56	R49-V52 WeakPolarHBondContact O-CB 3.37Å; R49-V52 WeakPolarHBondContact O-CG1 3.45Å; R49-V52 PolarHBondContact O-N 3.03Å; K50-V52 VanDerWaalsContact C-N 3.28Å; K50-V52 PolarHBondContact O-N 3.45Å; V52-E54 VanDerWaalsContact C-N 3.34Å; V52-E54 PolarHBondContact O-N 2.93Å; V52-V55 PolarHBondContact O-N 3.19Å; V52-R56 HydrophobicContact CG2-CG 4.47Å; V52-R56 WeakPolarHBondContact O-CG 3.38Å; V52-R56 PolarHBondContact O-N 2.94Å
53	N	92.6	Very high	91	Very high	104 Å²	104	70.2 Å²	70.2	56%	0.556	35%	0.354	S	S	*	.	H	α-helix	trans	-67.7	-38.3	-177.8	-68.8	-31.1	0	0	0	111.2	F51 R56 R57	F51-N53 VanDerWaalsContact C-N 3.3Å; F51-N53 PolarHBondContact O-N 3.3Å; N53-R56 PolarHBondContact O-N 3.28Å; N53-R57 WeakPolarHBondContact O-CB 3.47Å; N53-R57 PolarHBondContact O-N 3.2Å
54	E	91.8	Very high	91.3	Very high	57 Å²	57	66.8 Å²	66.8	27%	0.266	32%	0.317	S	S	.	.	H	α-helix	trans	-67.8	-41.8	176.4	-65.3	82.9	167.9	0	0	111	F51 V52 R57 C58 Y311	F51-E54 VanDerWaalsContact C-OE2 3.24Å; F51-E54 WeakPolarHBondContact CA-OE2 3.31Å; V52-E54 VanDerWaalsContact C-N 3.34Å; V52-E54 PolarHBondContact O-N 2.93Å; E54-R57 PolarHBondContact O-N 3.06Å; E54-C58 PolarHBondContact O-N 3.49Å; E54-C58 PolarHBondContact O-SG 3.45Å; E54-Y311 HydrophobicContact CB-CD1 3.94Å; E54-Y311 HydrophobicContact CB-CD2 3.82Å; E54-Y311 HydrophobicContact CB-CE1 4.11Å; E54-Y311 HydrophobicContact CB-CE2 3.96Å; E54-Y311 HydrophobicContact CB-CG 3.82Å; E54-Y311 HydrophobicContact CG-CD1 4.32Å; E54-Y311 HydrophobicContact CG-CE1 4.08Å; E54-Y311 HydrophobicContact CG-CE2 4.46Å
55	V	92.1	Very high	91.4	Very high	20 Å²	20	64.5 Å²	64.5	12%	0.121	30%	0.304	C	S	.	.	H	α-helix	trans	-62.2	-45.4	173	175.4	0	0	0	0	110.8	F51 V52 R57 C58 D59	F51-V55 WeakPolarHBondContact O-CG2 3.48Å; F51-V55 PolarHBondContact O-N 3.34Å; V52-V55 PolarHBondContact O-N 3.19Å; V55-R57 VanDerWaalsContact C-N 3.33Å; V55-R57 PolarHBondContact O-N 3.45Å; V55-C58 WeakPolarHBondContact O-CB 3.49Å; V55-C58 PolarHBondContact O-N 3.44Å; V55-C58 VanDerWaalsContact O-N 3.1Å; V55-D59 PolarHBondContact O-N 2.96Å
56	R	92.7	Very high	91.5	Very high	176 Å²	176	64.4 Å²	64.4	66%	0.664	30%	0.296	S	S	*	.	H	α-helix	trans	-62.4	-38.1	176.7	-70.8	-179.2	91.8	-173	6.9	112.5	V52 N53 C58 D59 E60	V52-R56 HydrophobicContact CG2-CG 4.47Å; V52-R56 WeakPolarHBondContact O-CG 3.38Å; V52-R56 PolarHBondContact O-N 2.94Å; N53-R56 PolarHBondContact O-N 3.28Å; R56-C58 VanDerWaalsContact C-N 3.31Å; R56-D59 PolarHBondContact O-N 3.13Å; R56-E60 PolarHBondContact O-N 2.86Å
57	R	93	Very high	91.7	Very high	103 Å²	103	63.1 Å²	63.1	39%	0.389	28%	0.277	S	S	.	.	H	α-helix	trans	-61.6	-41.4	173.4	-171.7	-177.9	-64.8	175.5	5	111.2	N53 E54 V55 E60 M61 E98	N53-R57 WeakPolarHBondContact O-CB 3.47Å; N53-R57 PolarHBondContact O-N 3.2Å; E54-R57 PolarHBondContact O-N 3.06Å; V55-R57 VanDerWaalsContact C-N 3.33Å; V55-R57 PolarHBondContact O-N 3.45Å; R57-E60 PolarHBondContact O-N 2.86Å; R57-M61 WeakPolarHBondContact O-CG 3.43Å; R57-M61 PolarHBondContact O-N 2.79Å; R57-E98 WeakPolarHBondContact CD-OE2 3.23Å; R57-E98 IonicContact NE-OE2 3.31Å
58	C	92.3	Very high	91.7	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.007	25%	0.248	C	C	.	.	H	α-helix	trans	-65.1	-42.2	174.6	-60.7	0	0	0	0	112.3	E54 V55 R56 E60 M61 E62 V304 K308	E54-C58 PolarHBondContact O-N 3.49Å; E54-C58 PolarHBondContact O-SG 3.45Å; V55-C58 WeakPolarHBondContact O-CB 3.49Å; V55-C58 PolarHBondContact O-N 3.44Å; V55-C58 VanDerWaalsContact O-N 3.1Å; R56-C58 VanDerWaalsContact C-N 3.31Å; C58-E60 VanDerWaalsContact C-N 3.28Å; C58-E60 PolarHBondContact O-N 3.04Å; C58-M61 HydrophobicContact CB-CE 4.26Å; C58-M61 PolarHBondContact O-N 3.37Å; C58-E62 WeakPolarHBondContact O-CG 3.15Å; C58-E62 PolarHBondContact O-N 3.47Å; C58-V304 HydrophobicContact CB-CG1 4.33Å; C58-K308 HydrophobicContact CB-CB 3.85Å; C58-K308 HydrophobicContact CB-CG 4.27Å
59	D	92.4	Very high	91.7	Very high	59 Å²	59	52.7 Å²	52.7	32%	0.316	23%	0.23	S	C	.	.	H	α-helix	trans	-61.2	-37	175.3	-72.2	-26.9	0	0	0	112.4	V55 R56 E62 R63 K308	V55-D59 PolarHBondContact O-N 2.96Å; R56-D59 PolarHBondContact O-N 3.13Å; D59-E62 PolarHBondContact O-N 3.3Å; D59-R63 WeakPolarHBondContact O-CB 3.15Å; D59-R63 PolarHBondContact O-N 3.33Å; D59-K308 WeakPolarHBondContact OD1-CE 3.28Å; D59-K308 IonicContact OD1-NZ 3.34Å; D59-K308 PolarHBondContact OD1-NZ 3.4Å
60	E	93.9	Very high	91.7	Very high	87 Å²	87	57.2 Å²	57.2	41%	0.407	25%	0.251	S	S	.	.	H	α-helix	trans	-66.7	-44.9	174.6	-169.7	176.6	170.7	0	0	111.5	R56 R57 C58 E62 R63 K64	R56-E60 PolarHBondContact O-N 2.86Å; R57-E60 PolarHBondContact O-N 2.86Å; C58-E60 VanDerWaalsContact C-N 3.28Å; C58-E60 PolarHBondContact O-N 3.04Å; E60-E62 VanDerWaalsContact C-N 3.34Å; E60-E62 PolarHBondContact O-N 3.45Å; E60-R63 WeakPolarHBondContact O-CB 3.32Å; E60-R63 PolarHBondContact O-N 3.38Å; E60-R63 VanDerWaalsContact O-N 3.12Å; E60-K64 WeakPolarHBondContact O-CG 3.34Å; E60-K64 PolarHBondContact O-N 3.05Å; E60-K64 IonicContact OE1-NZ 3.06Å
61	M	93.2	Very high	91.7	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-59.1	-43.4	173	-69.3	-172.8	-68.1	0	0	111.7	R57 C58 R63 K64 L65 I94 E98 F101 V304	R57-M61 WeakPolarHBondContact O-CG 3.43Å; R57-M61 PolarHBondContact O-N 2.79Å; C58-M61 HydrophobicContact CB-CE 4.26Å; C58-M61 PolarHBondContact O-N 3.37Å; M61-R63 VanDerWaalsContact C-N 3.32Å; M61-R63 PolarHBondContact O-N 3.09Å; M61-K64 WeakPolarHBondContact O-CB 3.31Å; M61-K64 PolarHBondContact O-N 3.41Å; M61-L65 WeakPolarHBondContact O-CG 3.05Å; M61-L65 PolarHBondContact O-N 2.96Å; M61-I94 HydrophobicContact CE-CG2 3.94Å; M61-I94 HydrophobicContact SD-CG2 4.46Å; M61-E98 HydrophobicContact CG-CB 4.46Å; M61-E98 HydrophobicContact SD-CB 4.04Å; M61-F101 HydrophobicContact CB-CD2 4Å; M61-F101 HydrophobicContact CB-CE2 4.31Å; M61-F101 HydrophobicContact CG-CD2 4.05Å; M61-F101 HydrophobicContact SD-CD2 4.23Å; M61-F101 HydrophobicContact SD-CE2 4.26Å; M61-V304 HydrophobicContact CB-CG1 4.05Å; M61-V304 HydrophobicContact CB-CG2 4.22Å; M61-V304 HydrophobicContact CE-CG1 4.29Å; M61-V304 HydrophobicContact CE-CG2 4.43Å; M61-V304 HydrophobicContact SD-CG2 4.47Å
62	E	91.5	Very high	91.6	Very high	8 Å²	8	51.3 Å²	51.3	4%	0.037	23%	0.226	C	C	.	.	H	α-helix	trans	-61.1	-39.2	173.6	-72.4	-176	179.4	0	0	112.1	C58 D59 E60 K64 L65 R66 V304 R305 K308	C58-E62 WeakPolarHBondContact O-CG 3.15Å; C58-E62 PolarHBondContact O-N 3.47Å; D59-E62 PolarHBondContact O-N 3.3Å; E60-E62 VanDerWaalsContact C-N 3.34Å; E60-E62 PolarHBondContact O-N 3.45Å; E62-K64 VanDerWaalsContact C-N 3.34Å; E62-L65 PolarHBondContact O-N 3.13Å; E62-R66 WeakPolarHBondContact O-CB 3.49Å; E62-R66 WeakPolarHBondContact O-CG 3.32Å; E62-R66 PolarHBondContact O-N 2.96Å; E62-R66 IonicContact OE2-NH1 3.12Å; E62-R66 PolarHBondContact OE2-NH1 3.33Å; E62-V304 HydrophobicContact CG-CG1 3.62Å; E62-R305 WeakPolarHBondContact OE1-CG 3.48Å; E62-K308 WeakPolarHBondContact OE1-CD 3.33Å; E62-K308 IonicContact OE1-NZ 2.69Å; E62-K308 PolarHBondContact OE1-NZ 3.26Å; E62-K308 IonicContact OE2-NZ 3.59Å; E62-K308 PolarHBondContact OE2-NZ 2.75Å
63	R	93.6	Very high	91.3	Very high	104 Å²	104	55.5 Å²	55.5	39%	0.392	24%	0.243	S	C	.	.	H	α-helix	trans	-60.8	-43.7	174.4	-175.4	-163.1	65.5	70.5	0.4	110.9	D59 E60 M61 R66 F67 E105	D59-R63 WeakPolarHBondContact O-CB 3.15Å; D59-R63 PolarHBondContact O-N 3.33Å; E60-R63 WeakPolarHBondContact O-CB 3.32Å; E60-R63 PolarHBondContact O-N 3.38Å; E60-R63 VanDerWaalsContact O-N 3.12Å; M61-R63 VanDerWaalsContact C-N 3.32Å; M61-R63 PolarHBondContact O-N 3.09Å; R63-R66 PolarHBondContact O-N 3.18Å; R63-F67 PolarHBondContact O-N 3.17Å; R63-E105 IonicContact CZ-OE1 2.85Å; R63-E105 IonicContact NH1-OE1 2.7Å; R63-E105 PolarHBondContact NH1-OE1 3.28Å; R63-E105 IonicContact NH2-OE1 3.98Å; R63-E105 PolarHBondContact NH2-OE1 3.48Å; R63-E105 IonicContact NH2-OE2 3.65Å; R63-E105 PolarHBondContact NH2-OE2 3.27Å
64	K	93.3	Very high	90.9	Very high	3 Å²	3	57.3 Å²	57.3	1%	0.013	25%	0.246	C	C	.	.	H	α-helix	trans	-62.1	-44.4	176.4	-64	-176.7	179.7	167.8	0	110.7	E60 M61 E62 F67 L68 F101 E102 E105	E60-K64 WeakPolarHBondContact O-CG 3.34Å; E60-K64 PolarHBondContact O-N 3.05Å; E60-K64 IonicContact OE1-NZ 3.06Å; M61-K64 WeakPolarHBondContact O-CB 3.31Å; M61-K64 PolarHBondContact O-N 3.41Å; E62-K64 VanDerWaalsContact C-N 3.34Å; K64-F67 WeakPolarHBondContact O-CB 3.27Å; K64-F67 PolarHBondContact O-N 3.27Å; K64-L68 WeakPolarHBondContact O-CG 3.47Å; K64-L68 PolarHBondContact O-N 3.06Å; K64-F101 HydrophobicContact CB-CB 4.29Å; K64-F101 HydrophobicContact CD-CB 4.19Å; K64-E102 IonicContact NZ-OE2 3.91Å; K64-E102 PolarHBondContact NZ-OE2 3.04Å; K64-E105 WeakPolarHBondContact CD-OE2 3.46Å; K64-E105 VanDerWaalsContact CE-OE2 3.31Å; K64-E105 WeakPolarHBondContact CE-OE2 3.41Å; K64-E105 VanDerWaalsContact CG-OE2 3.27Å; K64-E105 WeakPolarHBondContact CG-OE2 3.33Å
65	L	92	Very high	90.3	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65	-42.9	176.6	-68	172.5	0	0	0	112.9	M61 E62 F67 L68 E69 F101 L297 W300 F301 V304	M61-L65 WeakPolarHBondContact O-CG 3.05Å; M61-L65 PolarHBondContact O-N 2.96Å; E62-L65 PolarHBondContact O-N 3.13Å; L65-F67 VanDerWaalsContact C-N 3.27Å; L65-F67 PolarHBondContact O-N 3.01Å; L65-L68 HydrophobicContact CD2-CD1 4.41Å; L65-L68 WeakPolarHBondContact O-CB 3.37Å; L65-L68 PolarHBondContact O-N 3.22Å; L65-L68 VanDerWaalsContact O-N 3.15Å; L65-E69 PolarHBondContact O-N 2.87Å; L65-F101 HydrophobicContact CD1-CE2 4.15Å; L65-F101 HydrophobicContact CD1-CZ 4.32Å; L65-F101 HydrophobicContact CD2-CD1 4.04Å; L65-F101 HydrophobicContact CD2-CD2 4.46Å; L65-F101 HydrophobicContact CD2-CE1 3.88Å; L65-F101 HydrophobicContact CD2-CE2 4.29Å; L65-F101 HydrophobicContact CD2-CG 4.35Å; L65-F101 HydrophobicContact CD2-CZ 4.01Å; L65-F101 HydrophobicContact CG-CD2 4.42Å; L65-F101 HydrophobicContact CG-CE2 4.32Å; L65-F101 HydrophobicContact CG-CZ 4.48Å; L65-L297 HydrophobicContact CD2-CD1 4.11Å; L65-W300 HydrophobicContact CD1-CB 4.19Å; L65-W300 HydrophobicContact CD2-CB 3.86Å; L65-W300 HydrophobicContact CD2-CE3 4.05Å; L65-F301 HydrophobicContact CB-CD1 4.14Å; L65-F301 HydrophobicContact CB-CD2 4.36Å; L65-F301 HydrophobicContact CB-CE1 3.64Å; L65-F301 HydrophobicContact CB-CE2 3.89Å; L65-F301 HydrophobicContact CB-CG 4.48Å; L65-F301 HydrophobicContact CB-CZ 3.52Å; L65-F301 HydrophobicContact CD1-CD1 4.06Å; L65-F301 HydrophobicContact CD1-CE1 4.37Å; L65-F301 HydrophobicContact CD1-CG 4.21Å; L65-V304 HydrophobicContact CD1-CB 4.36Å; L65-V304 HydrophobicContact CD1-CG2 3.93Å
66	R	91.3	Very high	89.7	Confident	87 Å²	87	64.5 Å²	64.5	33%	0.328	28%	0.277	S	S	.	.	H	α-helix	trans	-62.3	-33.4	174	-76.4	-173.9	-69.8	-102.2	-5.5	112.6	E62 R63 K70 F301	E62-R66 WeakPolarHBondContact O-CB 3.49Å; E62-R66 WeakPolarHBondContact O-CG 3.32Å; E62-R66 PolarHBondContact O-N 2.96Å; E62-R66 IonicContact OE2-NH1 3.12Å; E62-R66 PolarHBondContact OE2-NH1 3.33Å; R63-R66 PolarHBondContact O-N 3.18Å; R66-K70 WeakPolarHBondContact O-CG 3.28Å; R66-K70 PolarHBondContact O-N 2.88Å; R66-K70 VanDerWaalsContact O-N 3.17Å; R66-F301 HydrophobicContact CG-CE1 4.12Å; R66-F301 HydrophobicContact CG-CZ 4.04Å
67	F	91.5	Very high	88.8	Confident	48 Å²	48	58.8 Å²	58.8	21%	0.211	26%	0.257	C	S	.	.	H	α-helix	trans	-65.9	-46.6	172.3	170.9	-101.9	0	0	0	111.1	R63 K64 L65 E69 K70 E71 E105 L108 K109	R63-F67 PolarHBondContact O-N 3.17Å; K64-F67 WeakPolarHBondContact O-CB 3.27Å; K64-F67 PolarHBondContact O-N 3.27Å; L65-F67 VanDerWaalsContact C-N 3.27Å; L65-F67 PolarHBondContact O-N 3.01Å; F67-E69 VanDerWaalsContact C-N 3.35Å; F67-E69 PolarHBondContact O-N 3.28Å; F67-K70 PolarHBondContact O-N 3.5Å; F67-E71 HydrophobicContact CE1-CG 4.29Å; F67-E71 HydrophobicContact CE2-CG 4.12Å; F67-E71 HydrophobicContact CZ-CG 3.98Å; F67-E71 WeakPolarHBondContact O-CG 3.12Å; F67-E71 PolarHBondContact O-N 2.89Å; F67-E71 VanDerWaalsContact O-N 3.14Å; F67-E105 HydrophobicContact CD1-CG 4Å; F67-E105 HydrophobicContact CE1-CG 4.16Å; F67-L108 HydrophobicContact CE1-CD2 3.97Å; F67-L108 HydrophobicContact CE1-CG 4.41Å; F67-K109 HydrophobicContact CE1-CG 4.18Å; F67-K109 HydrophobicContact CZ-CG 3.95Å
68	L	90.4	Very high	87.9	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-60.1	-43.2	175.6	-67.4	173.1	0	0	0	112	K64 L65 K70 E71 I72 L104 L108 L297	K64-L68 WeakPolarHBondContact O-CG 3.47Å; K64-L68 PolarHBondContact O-N 3.06Å; L65-L68 HydrophobicContact CD2-CD1 4.41Å; L65-L68 WeakPolarHBondContact O-CB 3.37Å; L65-L68 PolarHBondContact O-N 3.22Å; L65-L68 VanDerWaalsContact O-N 3.15Å; L68-K70 PolarHBondContact O-N 3.39Å; L68-E71 PolarHBondContact O-N 3.37Å; L68-I72 WeakPolarHBondContact O-CD1 3.33Å; L68-I72 VanDerWaalsContact O-CG1 3.23Å; L68-I72 WeakPolarHBondContact O-CG1 3.45Å; L68-I72 PolarHBondContact O-N 3.48Å; L68-L104 HydrophobicContact CD1-CB 4.43Å; L68-L108 HydrophobicContact CD2-CD2 3.68Å; L68-L297 HydrophobicContact CB-CD1 4.21Å
69	E	89.4	Confident	87	Confident	39 Å²	39	61.3 Å²	61.3	18%	0.182	28%	0.283	C	S	.	.	H	α-helix	trans	-57	-49.1	176.4	-173.9	172.3	-140.8	0	0	111.9	L65 F67 E71 I72 E73 I79 L297 F301	L65-E69 PolarHBondContact O-N 2.87Å; F67-E69 VanDerWaalsContact C-N 3.35Å; F67-E69 PolarHBondContact O-N 3.28Å; E69-E71 VanDerWaalsContact C-N 3.27Å; E69-E71 PolarHBondContact O-N 3.17Å; E69-I72 PolarHBondContact O-N 2.85Å; E69-I72 VanDerWaalsContact O-N 3.13Å; E69-E73 WeakPolarHBondContact O-CG 3Å; E69-E73 PolarHBondContact O-N 2.66Å; E69-I79 HydrophobicContact CG-CD1 4.39Å; E69-L297 HydrophobicContact CB-CD2 3.99Å; E69-L297 HydrophobicContact CG-CD2 4.16Å; E69-F301 HydrophobicContact CB-CE2 4.39Å
70	K	89.2	Confident	85.9	Confident	136 Å²	136	63.5 Å²	63.5	59%	0.591	29%	0.294	S	S	*	.	H	α-helix	trans	-59.3	-36.8	176.4	-73.8	177.8	-179.2	-175.5	0	112.8	R66 F67 L68 K74	R66-K70 WeakPolarHBondContact O-CG 3.28Å; R66-K70 PolarHBondContact O-N 2.88Å; R66-K70 VanDerWaalsContact O-N 3.17Å; F67-K70 PolarHBondContact O-N 3.5Å; L68-K70 PolarHBondContact O-N 3.39Å; K70-K74 VanDerWaalsContact O-CG 3.26Å; K70-K74 WeakPolarHBondContact O-CG 3.44Å; K70-K74 PolarHBondContact O-N 2.79Å; K70-K74 VanDerWaalsContact O-N 3.13Å
71	E	87.4	Confident	84.6	Confident	12 Å²	12	63.1 Å²	63.1	6%	0.056	30%	0.295	C	S	.	.	H	α-helix	trans	-73.1	-34.8	177.6	-66.7	-65.3	127.9	0	0	112.3	F67 L68 E69 K74 D75 L108 N112 L290	F67-E71 HydrophobicContact CE1-CG 4.29Å; F67-E71 HydrophobicContact CE2-CG 4.12Å; F67-E71 HydrophobicContact CZ-CG 3.98Å; F67-E71 WeakPolarHBondContact O-CG 3.12Å; F67-E71 PolarHBondContact O-N 2.89Å; F67-E71 VanDerWaalsContact O-N 3.14Å; L68-E71 PolarHBondContact O-N 3.37Å; E69-E71 VanDerWaalsContact C-N 3.27Å; E69-E71 PolarHBondContact O-N 3.17Å; E71-K74 IonicContact OE1-NZ 3.34Å; E71-K74 PolarHBondContact OE1-NZ 3.34Å; E71-D75 PolarHBondContact O-N 2.97Å; E71-L108 HydrophobicContact CB-CD2 3.72Å; E71-L108 HydrophobicContact CG-CD2 3.71Å; E71-N112 PolarHBondContact OE2-ND2 3.31Å; E71-L290 HydrophobicContact CB-CD2 4.08Å
72	I	87.5	Confident	83.3	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-67.1	-42.7	174.3	-69.1	164.2	0	0	0	110.7	L68 E69 D75 K76 F77 I79 L290 A293 A294 L297	L68-I72 WeakPolarHBondContact O-CD1 3.33Å; L68-I72 VanDerWaalsContact O-CG1 3.23Å; L68-I72 WeakPolarHBondContact O-CG1 3.45Å; L68-I72 PolarHBondContact O-N 3.48Å; E69-I72 PolarHBondContact O-N 2.85Å; E69-I72 VanDerWaalsContact O-N 3.13Å; I72-D75 PolarHBondContact O-N 3.43Å; I72-K76 PolarHBondContact O-N 3.18Å; I72-F77 HydrophobicContact CG2-CB 3.89Å; I72-F77 PolarHBondContact O-N 3.04Å; I72-I79 HydrophobicContact CG2-CG1 4.07Å; I72-L290 HydrophobicContact CG1-CB 4.48Å; I72-L290 HydrophobicContact CG1-CD2 3.88Å; I72-A293 HydrophobicContact CD1-CB 4.34Å; I72-A294 HydrophobicContact CD1-CB 4.06Å; I72-A294 HydrophobicContact CG1-CB 4.44Å; I72-A294 HydrophobicContact CG2-CB 4.04Å; I72-L297 HydrophobicContact CD1-CD1 4.48Å; I72-L297 HydrophobicContact CD1-CD2 3.85Å
73	E	85.7	Confident	82.1	Confident	120 Å²	120	68.9 Å²	68.9	56%	0.561	34%	0.342	S	S	*	.	H	α-helix	trans	-64.5	-39.8	177.2	-74.5	-174.6	160.8	0	0	112.4	E69 D75 K76	E69-E73 WeakPolarHBondContact O-CG 3Å; E69-E73 PolarHBondContact O-N 2.66Å; E73-D75 PolarHBondContact O-N 3.29Å; E73-K76 PolarHBondContact O-N 3.34Å
74	K	84.2	Confident	80.8	Confident	141 Å²	141	70.7 Å²	70.7	61%	0.613	36%	0.355	S	S	*	.	H	α-helix	trans	-56.3	-38.9	174.7	-78.9	172.6	-174.5	177.2	0	112.4	K70 E71 K76	K70-K74 VanDerWaalsContact O-CG 3.26Å; K70-K74 WeakPolarHBondContact O-CG 3.44Å; K70-K74 PolarHBondContact O-N 2.79Å; K70-K74 VanDerWaalsContact O-N 3.13Å; E71-K74 IonicContact OE1-NZ 3.34Å; E71-K74 PolarHBondContact OE1-NZ 3.34Å; K74-K76 VanDerWaalsContact C-N 3.32Å
75	D	79.9	Confident	79.8	Confident	42 Å²	42	75.2 Å²	75.2	23%	0.225	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	3.5	178.5	-83.5	5	0	0	0	113.5	E71 I72 E73 F77 R286 L290	E71-D75 PolarHBondContact O-N 2.97Å; I72-D75 PolarHBondContact O-N 3.43Å; E73-D75 PolarHBondContact O-N 3.29Å; D75-F77 VanDerWaalsContact C-N 3.26Å; D75-F77 HydrophobicContact CB-CD2 3.66Å; D75-F77 HydrophobicContact CB-CE2 3.66Å; D75-F77 PolarHBondContact O-N 3.09Å; D75-R286 IonicContact OD1-CZ 2.65Å; D75-R286 IonicContact OD1-NH2 2.94Å; D75-R286 PolarHBondContact OD1-NH2 3.38Å; D75-R286 IonicContact OD2-CZ 3.69Å; D75-R286 VanDerWaalsContact OD2-CZ 3.31Å; D75-R286 IonicContact OD2-NE 3.5Å; D75-R286 PolarHBondContact OD2-NE 3.18Å; D75-R286 IonicContact OD2-NH2 3.44Å; D75-R286 PolarHBondContact OD2-NH2 2.98Å; D75-L290 HydrophobicContact CB-CD1 4.28Å; D75-L290 WeakPolarHBondContact OD2-CD1 3.47Å
76	K	79.1	Confident	79.2	Confident	186 Å²	186	76 Å²	76	81%	0.809	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	32.8	177.1	-57.6	-178.7	-179.6	178.2	0	114.3	I72 E73 K74	I72-K76 PolarHBondContact O-N 3.18Å; E73-K76 PolarHBondContact O-N 3.34Å; K74-K76 VanDerWaalsContact C-N 3.32Å
77	F	74.8	Confident	78.6	Confident	56 Å²	56	77.6 Å²	77.6	25%	0.246	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-74.4	134.4	172.5	-75.3	-70.4	0	0	0	110.5	I72 D75 I79 Q287 L290	I72-F77 HydrophobicContact CG2-CB 3.89Å; I72-F77 PolarHBondContact O-N 3.04Å; D75-F77 VanDerWaalsContact C-N 3.26Å; D75-F77 HydrophobicContact CB-CD2 3.66Å; D75-F77 HydrophobicContact CB-CE2 3.66Å; D75-F77 PolarHBondContact O-N 3.09Å; F77-I79 PolarHBondContact O-N 2.68Å; F77-Q287 HydrophobicContact CE2-CG 4.29Å; F77-Q287 HydrophobicContact CZ-CB 4.06Å; F77-Q287 HydrophobicContact CZ-CG 3.97Å; F77-L290 HydrophobicContact CD2-CB 4.27Å; F77-L290 HydrophobicContact CE2-CB 4.11Å; F77-L290 HydrophobicContact CE2-CD1 4.41Å
78	P	74.1	Confident	78.1	Confident	105 Å²	105	76.2 Å²	76.2	68%	0.682	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-69.8	120.8	172.9	28.5	-32.2	0	0	0	109.4	L80	P78-L80 PolarHBondContact O-N 2.93Å
79	I	73	Confident	77.8	Confident	53 Å²	53	76.5 Å²	76.5	27%	0.272	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-70.1	116.2	171.7	-58.3	166.7	0	0	0	107.2	E69 I72 F77 D81 L297	E69-I79 HydrophobicContact CG-CD1 4.39Å; I72-I79 HydrophobicContact CG2-CG1 4.07Å; F77-I79 PolarHBondContact O-N 2.68Å; I79-D81 PolarHBondContact O-N 3.11Å; I79-L297 HydrophobicContact CD1-CD2 4.22Å; I79-L297 HydrophobicContact CG1-CD2 4.49Å
80	L	70	Confident	77.6	Confident	104 Å²	104	76 Å²	76	55%	0.545	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-75.6	124.5	-179.8	-132.3	87.9	0	0	0	109.5	P78	P78-L80 PolarHBondContact O-N 2.93Å
81	D	66.6	Low	77.4	Confident	79 Å²	79	72.1 Å²	72.1	42%	0.422	39%	0.387	S	S	.	.			trans	-97.6	106.3	168.2	-173.7	12.8	0	0	0	108.6	I79 G83 R298	I79-D81 PolarHBondContact O-N 3.11Å; D81-G83 PolarHBondContact O-N 3Å; D81-G83 PolarHBondContact OD1-N 2.9Å; D81-G83 VanDerWaalsContact OD1-N 3.1Å; D81-R298 WeakPolarHBondContact OD1-CD 3.36Å; D81-R298 IonicContact OD1-CZ 3.85Å; D81-R298 IonicContact OD1-NE 2.91Å; D81-R298 PolarHBondContact OD1-NE 2.9Å; D81-R298 IonicContact OD1-NH1 3.62Å; D81-R298 PolarHBondContact OD1-NH1 3.41Å; D81-R298 IonicContact OD1-NH2 3.61Å; D81-R298 PolarHBondContact OD1-NH2 3.02Å; D81-R298 IonicContact OD2-CZ 2.65Å; D81-R298 IonicContact OD2-NE 3.33Å; D81-R298 IonicContact OD2-NH1 3.74Å; D81-R298 PolarHBondContact OD2-NH1 3.3Å; D81-R298 IonicContact OD2-NH2 2.69Å; D81-R298 PolarHBondContact OD2-NH2 3.5Å
82	T	63.9	Low	77.3	Confident	75 Å²	75	81.8 Å²	81.8	46%	0.46	42%	0.423	S	S	.	.			trans	-72.7	-12.2	176.3	54	0	0	0	0	112.3	E84	T82-E84 PolarHBondContact O-N 3.41Å; T82-E84 VanDerWaalsContact O-N 3.17Å
83	G	67.1	Low	77.3	Confident	55 Å²	55	85.3 Å²	85.3	57%	0.567	44%	0.439	S	S	*	.			trans	68.7	2.9	-174.4	0	0	0	0	0	113.9	D81	D81-G83 PolarHBondContact O-N 3Å; D81-G83 PolarHBondContact OD1-N 2.9Å; D81-G83 VanDerWaalsContact OD1-N 3.1Å
84	E	67.1	Low	77.4	Confident	142 Å²	142	79.9 Å²	79.9	66%	0.664	41%	0.414	S	S	*	.			trans	-81.9	121.1	176.3	-65.5	-176.6	168.7	0	0	109.3	T82 P86	T82-E84 PolarHBondContact O-N 3.41Å; T82-E84 VanDerWaalsContact O-N 3.17Å; E84-P86 WeakPolarHBondContact O-CD 3.29Å
85	N	71.8	Confident	77.7	Confident	98 Å²	98	78.1 Å²	78.1	52%	0.524	41%	0.41	S	S	.	.			trans	-91.4	100.9	169.6	-69.3	-30.6	0	0	0	107.7	N863	N85-N863 PolarHBondContact OD1-ND2 3.28Å
86	P	78.5	Confident	78.3	Confident	18 Å²	18	80.7 Å²	80.7	12%	0.117	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-63.2	145.1	-179.5	28.4	-37.3	0	0	0	110.5	E84 T299 I302 R303 K306	E84-P86 WeakPolarHBondContact O-CD 3.29Å; P86-T299 HydrophobicContact CB-CG2 4.17Å; P86-T299 HydrophobicContact CG-CG2 3.86Å; P86-I302 HydrophobicContact CG-CB 4.23Å; P86-I302 HydrophobicContact CG-CG2 3.92Å; P86-R303 HydrophobicContact CB-CG 4.28Å; P86-R303 HydrophobicContact CG-CG 3.94Å; P86-K306 WeakPolarHBondContact O-CE 3.35Å; P86-K306 PolarHBondContact O-NZ 3.4Å
87	E	78.7	Confident	78.9	Confident	119 Å²	119	72.3 Å²	72.3	56%	0.556	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-59.8	155.1	168.1	-68.3	-165.9	-169	0	0	110.7	R350	E87-R350 IonicContact OE1-NH2 3.84Å; E87-R350 IonicContact OE2-CZ 2.87Å; E87-R350 IonicContact OE2-NH1 3.16Å; E87-R350 PolarHBondContact OE2-NH1 3.28Å; E87-R350 IonicContact OE2-NH2 3.87Å; E87-R350 PolarHBondContact OE2-NH2 2.98Å
88	A	81.3	Confident	79.7	Confident	19 Å²	19	71.5 Å²	71.5	16%	0.157	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-58.5	126.6	175	0	0	0	0	0	110.7	K306 I310 F859	A88-K306 HydrophobicContact CB-CD 4.31Å; A88-I310 HydrophobicContact CB-CD1 4.09Å; A88-F859 HydrophobicContact CB-CE2 4.44Å
89	P	85	Confident	80.6	Confident	7 Å²	7	69.6 Å²	69.6	5%	0.045	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-71.3	154.7	-176.6	30.6	-36.9	0	0	0	111.8	Y23 E93 R303 I307	Y23-P89 VanDerWaalsContact CE1-O 3.3Å; Y23-P89 WeakPolarHBondContact CE1-O 3.47Å; Y23-P89 PolarHBondContact OH-O 3.12Å; P89-E93 HydrophobicContact CB-CB 4.33Å; P89-E93 VanDerWaalsContact CB-OE2 3.29Å; P89-E93 WeakPolarHBondContact CB-OE2 3.45Å; P89-R303 HydrophobicContact CG-CB 4.21Å; P89-R303 HydrophobicContact CG-CG 4.39Å; P89-I307 HydrophobicContact CG-CD1 3.45Å; P89-I307 VanDerWaalsContact CG-CD1 3.45Å; P89-I307 HydrophobicContact CG-CG1 3.57Å
90	A	85.5	Confident	81.5	Confident	30 Å²	30	70.5 Å²	70.5	25%	0.248	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-64.7	151.1	173.8	0	0	0	0	0	110.9	M24 R92 E93	M24-A90 HydrophobicContact CE-CB 4.31Å; A90-R92 PolarHBondContact O-N 2.73Å; A90-E93 HydrophobicContact CB-CG 4.48Å; A90-E93 PolarHBondContact O-N 3.17Å; A90-E93 VanDerWaalsContact O-N 3.07Å
91	P	83.9	Confident	82.7	Confident	54 Å²	54	65.5 Å²	65.5	35%	0.351	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-22	-174.3	24.2	-34	0	0	0	113.8	Y23 I94	Y23-P91 HydrophobicContact CD1-CB 4.38Å; Y23-P91 HydrophobicContact CD1-CG 4.2Å; Y23-P91 HydrophobicContact CE1-CB 4.37Å; Y23-P91 HydrophobicContact CE1-CG 4.44Å; Y23-P91 HydrophobicContact CG-CB 4.47Å; P91-I94 WeakPolarHBondContact O-CB 3.14Å; P91-I94 WeakPolarHBondContact O-CD1 3.45Å; P91-I94 WeakPolarHBondContact O-CG1 3.45Å
92	R	85.6	Confident	83.9	Confident	215 Å²	215	65.9 Å²	65.9	81%	0.811	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-33.4	177.2	-67.3	-177.1	179.3	174.6	0.2	112.9	A90 I94 I95	A90-R92 PolarHBondContact O-N 2.73Å; R92-I94 PolarHBondContact O-N 2.57Å; R92-I95 PolarHBondContact O-N 3.23Å
93	E	86.8	Confident	85.4	Confident	73 Å²	73	68.6 Å²	68.6	34%	0.341	36%	0.357	S	S	.	.	H	α-helix	trans	-68.4	-15.6	-178.2	-64.1	177.1	-156.5	0	0	112.7	P89 A90 I95 D96 L97	P89-E93 HydrophobicContact CB-CB 4.33Å; P89-E93 VanDerWaalsContact CB-OE2 3.29Å; P89-E93 WeakPolarHBondContact CB-OE2 3.45Å; A90-E93 HydrophobicContact CB-CG 4.48Å; A90-E93 PolarHBondContact O-N 3.17Å; A90-E93 VanDerWaalsContact O-N 3.07Å; E93-I95 PolarHBondContact O-N 3.41Å; E93-D96 PolarHBondContact O-N 3.17Å; E93-L97 WeakPolarHBondContact O-CG 3.41Å; E93-L97 PolarHBondContact O-N 3.07Å
94	I	88.2	Confident	86.6	Confident	7 Å²	7	67.4 Å²	67.4	4%	0.036	34%	0.337	C	S	.	.	H	α-helix	trans	-57.8	-41.4	176.3	-62	173.5	0	0	0	110.7	M61 P91 R92 L97 E98 I307 Y311	M61-I94 HydrophobicContact CE-CG2 3.94Å; M61-I94 HydrophobicContact SD-CG2 4.46Å; P91-I94 WeakPolarHBondContact O-CB 3.14Å; P91-I94 WeakPolarHBondContact O-CD1 3.45Å; P91-I94 WeakPolarHBondContact O-CG1 3.45Å; R92-I94 PolarHBondContact O-N 2.57Å; I94-L97 PolarHBondContact O-N 3.01Å; I94-E98 VanDerWaalsContact O-CB 3.32Å; I94-E98 WeakPolarHBondContact O-CB 3.46Å; I94-E98 PolarHBondContact O-N 3.23Å; I94-I307 HydrophobicContact CD1-CD1 4.47Å; I94-I307 HydrophobicContact CD1-CG2 3.62Å; I94-I307 HydrophobicContact CG1-CD1 3.84Å; I94-I307 HydrophobicContact CG1-CG1 4.42Å; I94-I307 HydrophobicContact CG1-CG2 4.16Å; I94-Y311 HydrophobicContact CD1-CE2 3.7Å; I94-Y311 WeakPolarHBondContact CD1-OH 3.46Å
95	I	90.1	Very high	87.8	Confident	104 Å²	104	60.9 Å²	60.9	53%	0.533	31%	0.307	S	S	.	.	H	α-helix	trans	-68.1	-40.9	-178.4	-58.6	171	0	0	0	109.9	R92 E93 E98 S99	R92-I95 PolarHBondContact O-N 3.23Å; E93-I95 PolarHBondContact O-N 3.41Å; I95-E98 PolarHBondContact O-N 3Å; I95-S99 WeakPolarHBondContact O-CB 3.49Å; I95-S99 PolarHBondContact O-N 3.31Å
96	D	92.5	Very high	88.9	Confident	95 Å²	95	59.5 Å²	59.5	51%	0.508	30%	0.299	S	S	.	.	H	α-helix	trans	-64.8	-46.3	177.9	-59.1	-32.4	0	0	0	110.5	E93 E98 S99 I100	E93-D96 PolarHBondContact O-N 3.17Å; D96-E98 PolarHBondContact O-N 3.1Å; D96-S99 PolarHBondContact O-N 3.5Å; D96-S99 PolarHBondContact O-OG 2.95Å; D96-I100 WeakPolarHBondContact O-CD1 3.34Å; D96-I100 VanDerWaalsContact O-CG1 3.24Å; D96-I100 WeakPolarHBondContact O-CG1 3.45Å; D96-I100 PolarHBondContact O-N 2.94Å
97	L	91.5	Very high	89.5	Confident	11 Å²	11	61.7 Å²	61.7	6%	0.058	31%	0.308	C	S	.	.	H	α-helix	trans	-60.7	-44.7	176.3	-70.8	175.2	0	0	0	112.1	E93 I94 S99 I100 F101 I307	E93-L97 WeakPolarHBondContact O-CG 3.41Å; E93-L97 PolarHBondContact O-N 3.07Å; I94-L97 PolarHBondContact O-N 3.01Å; L97-S99 VanDerWaalsContact C-N 3.34Å; L97-S99 PolarHBondContact O-N 3.44Å; L97-I100 PolarHBondContact O-N 3.24Å; L97-F101 HydrophobicContact CB-CE2 3.9Å; L97-F101 HydrophobicContact CB-CZ 4.04Å; L97-F101 HydrophobicContact CD2-CE1 4.41Å; L97-F101 HydrophobicContact CD2-CZ 3.91Å; L97-F101 HydrophobicContact CG-CZ 4.46Å; L97-F101 VanDerWaalsContact O-CD2 3.24Å; L97-F101 WeakPolarHBondContact O-CD2 3.28Å; L97-F101 WeakPolarHBondContact O-CG 3.17Å; L97-F101 PolarHBondContact O-N 3.31Å; L97-I307 HydrophobicContact CD1-CD1 4.47Å
98	E	92.3	Very high	90.1	Very high	39 Å²	39	56 Å²	56	18%	0.182	28%	0.282	C	S	.	.	H	α-helix	trans	-58.3	-46.3	176.4	-176.8	173.8	-159.2	0	0	111.3	R57 M61 I94 I95 D96 I100 F101 E102	R57-E98 WeakPolarHBondContact CD-OE2 3.23Å; R57-E98 IonicContact NE-OE2 3.31Å; M61-E98 HydrophobicContact CG-CB 4.46Å; M61-E98 HydrophobicContact SD-CB 4.04Å; I94-E98 VanDerWaalsContact O-CB 3.32Å; I94-E98 WeakPolarHBondContact O-CB 3.46Å; I94-E98 PolarHBondContact O-N 3.23Å; I95-E98 PolarHBondContact O-N 3Å; D96-E98 PolarHBondContact O-N 3.1Å; E98-I100 VanDerWaalsContact C-N 3.34Å; E98-I100 PolarHBondContact O-N 3.35Å; E98-F101 PolarHBondContact O-N 3Å; E98-E102 WeakPolarHBondContact O-CB 3.3Å; E98-E102 PolarHBondContact O-N 3.18Å
99	S	93.4	Very high	90.7	Very high	65 Å²	65	59.4 Å²	59.4	46%	0.455	29%	0.293	S	S	.	.	H	α-helix	trans	-62.7	-39.1	178	78.7	0	0	0	0	112.7	I95 D96 L97 K103	I95-S99 WeakPolarHBondContact O-CB 3.49Å; I95-S99 PolarHBondContact O-N 3.31Å; D96-S99 PolarHBondContact O-N 3.5Å; D96-S99 PolarHBondContact O-OG 2.95Å; L97-S99 VanDerWaalsContact C-N 3.34Å; L97-S99 PolarHBondContact O-N 3.44Å; S99-K103 VanDerWaalsContact O-CB 3.27Å; S99-K103 WeakPolarHBondContact O-CB 3.42Å; S99-K103 PolarHBondContact O-N 2.8Å
100	I	92.6	Very high	91	Very high	71 Å²	71	65.3 Å²	65.3	36%	0.364	32%	0.32	S	S	.	.	H	α-helix	trans	-67	-47.5	177.6	-68.5	163	0	0	0	110.1	D96 L97 E98 K103 L104 W300	D96-I100 WeakPolarHBondContact O-CD1 3.34Å; D96-I100 VanDerWaalsContact O-CG1 3.24Å; D96-I100 WeakPolarHBondContact O-CG1 3.45Å; D96-I100 PolarHBondContact O-N 2.94Å; L97-I100 PolarHBondContact O-N 3.24Å; E98-I100 VanDerWaalsContact C-N 3.34Å; E98-I100 PolarHBondContact O-N 3.35Å; I100-K103 PolarHBondContact O-N 2.82Å; I100-L104 HydrophobicContact CG2-CD1 3.88Å; I100-L104 HydrophobicContact CG2-CG 4.49Å; I100-L104 WeakPolarHBondContact O-CB 3.42Å; I100-L104 VanDerWaalsContact O-CG 3.31Å; I100-L104 WeakPolarHBondContact O-CG 3.31Å; I100-L104 PolarHBondContact O-N 2.9Å; I100-W300 HydrophobicContact CG2-CZ2 4.48Å
101	F	93.6	Very high	91.3	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-68	-37.8	-177.8	-58.6	-23.5	0	0	0	112.3	M61 K64 L65 L97 E98 E105 W300 V304	M61-F101 HydrophobicContact CB-CD2 4Å; M61-F101 HydrophobicContact CB-CE2 4.31Å; M61-F101 HydrophobicContact CG-CD2 4.05Å; M61-F101 HydrophobicContact SD-CD2 4.23Å; M61-F101 HydrophobicContact SD-CE2 4.26Å; K64-F101 HydrophobicContact CB-CB 4.29Å; K64-F101 HydrophobicContact CD-CB 4.19Å; L65-F101 HydrophobicContact CD1-CE2 4.15Å; L65-F101 HydrophobicContact CD1-CZ 4.32Å; L65-F101 HydrophobicContact CD2-CD1 4.04Å; L65-F101 HydrophobicContact CD2-CD2 4.46Å; L65-F101 HydrophobicContact CD2-CE1 3.88Å; L65-F101 HydrophobicContact CD2-CE2 4.29Å; L65-F101 HydrophobicContact CD2-CG 4.35Å; L65-F101 HydrophobicContact CD2-CZ 4.01Å; L65-F101 HydrophobicContact CG-CD2 4.42Å; L65-F101 HydrophobicContact CG-CE2 4.32Å; L65-F101 HydrophobicContact CG-CZ 4.48Å; L97-F101 HydrophobicContact CB-CE2 3.9Å; L97-F101 HydrophobicContact CB-CZ 4.04Å; L97-F101 HydrophobicContact CD2-CE1 4.41Å; L97-F101 HydrophobicContact CD2-CZ 3.91Å; L97-F101 HydrophobicContact CG-CZ 4.46Å; L97-F101 VanDerWaalsContact O-CD2 3.24Å; L97-F101 WeakPolarHBondContact O-CD2 3.28Å; L97-F101 WeakPolarHBondContact O-CG 3.17Å; L97-F101 PolarHBondContact O-N 3.31Å; E98-F101 PolarHBondContact O-N 3Å; F101-E105 WeakPolarHBondContact O-CB 3.37Å; F101-E105 PolarHBondContact O-N 2.99Å; F101-W300 HydrophobicContact CD1-CE3 4.44Å; F101-W300 HydrophobicContact CE1-CB 3.93Å; F101-W300 AromaticContact CE1-CD1 3.99Å; F101-W300 AromaticContact CE1-CD2 3.52Å; F101-W300 HydrophobicContact CE1-CD2 3.52Å; F101-W300 AromaticContact CE1-CE2 3.96Å; F101-W300 AromaticContact CE1-CE3 3.83Å; F101-W300 HydrophobicContact CE1-CE3 3.83Å; F101-W300 AromaticContact CE1-CG 3.56Å; F101-W300 HydrophobicContact CE1-CG 3.56Å; F101-W300 HydrophobicContact CZ-CB 3.67Å; F101-W300 HydrophobicContact CZ-CD2 4.17Å; F101-W300 AromaticContact CZ-CG 3.7Å; F101-W300 HydrophobicContact CZ-CG 3.7Å; F101-V304 HydrophobicContact CE2-CG2 3.76Å; F101-V304 HydrophobicContact CZ-CG2 4.37Å
102	E	93.6	Very high	91.5	Very high	87 Å²	87	63.7 Å²	63.7	41%	0.407	31%	0.305	S	S	.	.	H	α-helix	trans	-65.8	-44.7	175.2	-171.4	168	165.1	0	0	111.9	K64 E98 L104 E105 N106	K64-E102 IonicContact NZ-OE2 3.91Å; K64-E102 PolarHBondContact NZ-OE2 3.04Å; E98-E102 WeakPolarHBondContact O-CB 3.3Å; E98-E102 PolarHBondContact O-N 3.18Å; E102-L104 PolarHBondContact O-N 3.45Å; E102-E105 PolarHBondContact O-N 3.33Å; E102-N106 WeakPolarHBondContact O-CB 3.48Å; E102-N106 PolarHBondContact O-N 2.91Å; E102-N106 PolarHBondContact O-ND2 3Å
103	K	94	Very high	91.8	Very high	132 Å²	132	55.9 Å²	55.9	57%	0.574	28%	0.283	S	S	*	.	H	α-helix	trans	-59.1	-47.3	175.1	-176.8	174.9	175.1	178.1	0	111.4	S99 I100 N106 E107	S99-K103 VanDerWaalsContact O-CB 3.27Å; S99-K103 WeakPolarHBondContact O-CB 3.42Å; S99-K103 PolarHBondContact O-N 2.8Å; I100-K103 PolarHBondContact O-N 2.82Å; K103-N106 PolarHBondContact O-N 3.42Å; K103-E107 WeakPolarHBondContact CE-OE1 3.31Å; K103-E107 HydrophobicContact CG-CG 4.42Å; K103-E107 WeakPolarHBondContact CG-OE1 3.36Å; K103-E107 IonicContact NZ-OE1 3.58Å; K103-E107 WeakPolarHBondContact O-CB 3.45Å; K103-E107 VanDerWaalsContact O-CG 3.29Å; K103-E107 WeakPolarHBondContact O-CG 3.47Å; K103-E107 PolarHBondContact O-N 3.44Å
104	L	92.6	Very high	92	Very high	29 Å²	29	55.1 Å²	55.1	15%	0.152	29%	0.286	C	S	.	.	H	α-helix	trans	-64.4	-41.2	177.8	-72.5	172	0	0	0	112.8	L68 I100 E102 L108 I289 W300	L68-L104 HydrophobicContact CD1-CB 4.43Å; I100-L104 HydrophobicContact CG2-CD1 3.88Å; I100-L104 HydrophobicContact CG2-CG 4.49Å; I100-L104 WeakPolarHBondContact O-CB 3.42Å; I100-L104 VanDerWaalsContact O-CG 3.31Å; I100-L104 WeakPolarHBondContact O-CG 3.31Å; I100-L104 PolarHBondContact O-N 2.9Å; E102-L104 PolarHBondContact O-N 3.45Å; L104-L108 VanDerWaalsContact O-CB 3.23Å; L104-L108 WeakPolarHBondContact O-CB 3.3Å; L104-L108 PolarHBondContact O-N 3.28Å; L104-I289 HydrophobicContact CD2-CG2 4.08Å; L104-W300 HydrophobicContact CD1-CH2 3.78Å; L104-W300 HydrophobicContact CD1-CZ3 3.98Å
105	E	92.8	Very high	92	Very high	5 Å²	5	55.8 Å²	55.8	2%	0.023	29%	0.292	C	S	.	.	H	α-helix	trans	-62.4	-46	176.1	-176.7	-174.7	-161.6	0	0	110.9	R63 K64 F67 F101 E102 L108 K109	R63-E105 IonicContact CZ-OE1 2.85Å; R63-E105 IonicContact NH1-OE1 2.7Å; R63-E105 PolarHBondContact NH1-OE1 3.28Å; R63-E105 IonicContact NH2-OE1 3.98Å; R63-E105 PolarHBondContact NH2-OE1 3.48Å; R63-E105 IonicContact NH2-OE2 3.65Å; R63-E105 PolarHBondContact NH2-OE2 3.27Å; K64-E105 WeakPolarHBondContact CD-OE2 3.46Å; K64-E105 VanDerWaalsContact CE-OE2 3.31Å; K64-E105 WeakPolarHBondContact CE-OE2 3.41Å; K64-E105 VanDerWaalsContact CG-OE2 3.27Å; K64-E105 WeakPolarHBondContact CG-OE2 3.33Å; F67-E105 HydrophobicContact CD1-CG 4Å; F67-E105 HydrophobicContact CE1-CG 4.16Å; F101-E105 WeakPolarHBondContact O-CB 3.37Å; F101-E105 PolarHBondContact O-N 2.99Å; E102-E105 PolarHBondContact O-N 3.33Å; E105-L108 PolarHBondContact O-N 2.8Å; E105-K109 VanDerWaalsContact CD-NZ 3.25Å; E105-K109 HydrophobicContact CG-CD 4.16Å; E105-K109 WeakPolarHBondContact O-CB 3.32Å; E105-K109 VanDerWaalsContact O-CG 3.32Å; E105-K109 WeakPolarHBondContact O-CG 3.28Å; E105-K109 PolarHBondContact O-N 3.45Å; E105-K109 VanDerWaalsContact OE1-CE 3.29Å; E105-K109 WeakPolarHBondContact OE1-CE 3.47Å; E105-K109 IonicContact OE1-NZ 3.49Å; E105-K109 PolarHBondContact OE1-NZ 3.05Å; E105-K109 IonicContact OE2-NZ 3.02Å
106	N	93.8	Very high	91.9	Very high	69 Å²	69	56.8 Å²	56.8	37%	0.369	30%	0.295	S	S	.	.	H	α-helix	trans	-66.8	-48.5	-178.9	-70	-20.9	0	0	0	111.4	E102 K103 L108 K109 E110	E102-N106 WeakPolarHBondContact O-CB 3.48Å; E102-N106 PolarHBondContact O-N 2.91Å; E102-N106 PolarHBondContact O-ND2 3Å; K103-N106 PolarHBondContact O-N 3.42Å; N106-L108 VanDerWaalsContact C-N 3.3Å; N106-L108 PolarHBondContact O-N 3.37Å; N106-K109 PolarHBondContact O-N 2.99Å; N106-E110 WeakPolarHBondContact O-CB 3.45Å; N106-E110 WeakPolarHBondContact O-CG 3.49Å; N106-E110 PolarHBondContact O-N 3.23Å
107	E	92.3	Very high	91.8	Very high	64 Å²	64	58.8 Å²	58.8	30%	0.299	30%	0.299	S	S	.	.	H	α-helix	trans	-56.3	-45.4	175.4	-75.6	177.6	-175.8	0	0	111.1	K103 E110 V111	K103-E107 WeakPolarHBondContact CE-OE1 3.31Å; K103-E107 HydrophobicContact CG-CG 4.42Å; K103-E107 WeakPolarHBondContact CG-OE1 3.36Å; K103-E107 IonicContact NZ-OE1 3.58Å; K103-E107 WeakPolarHBondContact O-CB 3.45Å; K103-E107 VanDerWaalsContact O-CG 3.29Å; K103-E107 WeakPolarHBondContact O-CG 3.47Å; K103-E107 PolarHBondContact O-N 3.44Å; E107-E110 PolarHBondContact O-N 2.99Å; E107-V111 WeakPolarHBondContact O-CB 3.25Å; E107-V111 WeakPolarHBondContact O-CG2 3.26Å; E107-V111 PolarHBondContact O-N 3.25Å
108	L	91.4	Very high	91.8	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-68.6	-38.6	-179.6	-171.3	61.6	0	0	0	112.6	F67 L68 E71 L104 E105 N106 V111 N112 R286 L290	F67-L108 HydrophobicContact CE1-CD2 3.97Å; F67-L108 HydrophobicContact CE1-CG 4.41Å; L68-L108 HydrophobicContact CD2-CD2 3.68Å; E71-L108 HydrophobicContact CB-CD2 3.72Å; E71-L108 HydrophobicContact CG-CD2 3.71Å; L104-L108 VanDerWaalsContact O-CB 3.23Å; L104-L108 WeakPolarHBondContact O-CB 3.3Å; L104-L108 PolarHBondContact O-N 3.28Å; E105-L108 PolarHBondContact O-N 2.8Å; N106-L108 VanDerWaalsContact C-N 3.3Å; N106-L108 PolarHBondContact O-N 3.37Å; L108-V111 PolarHBondContact O-N 3.15Å; L108-N112 VanDerWaalsContact O-CB 3.25Å; L108-N112 WeakPolarHBondContact O-CB 3.34Å; L108-N112 VanDerWaalsContact O-CG 3.25Å; L108-N112 PolarHBondContact O-N 3.41Å; L108-R286 HydrophobicContact CD1-CG 3.9Å; L108-L290 HydrophobicContact CD1-CD2 4.03Å; L108-L290 HydrophobicContact CD1-CG 4.35Å; L108-L290 HydrophobicContact CD2-CD2 3.92Å
109	K	92.3	Very high	91.6	Very high	90 Å²	90	62 Å²	62	39%	0.391	31%	0.313	S	S	.	.	H	α-helix	trans	-65	-41.7	174.8	-79	178.5	-175.5	167.6	0	112.2	F67 E105 N106 N112 S113	F67-K109 HydrophobicContact CE1-CG 4.18Å; F67-K109 HydrophobicContact CZ-CG 3.95Å; E105-K109 VanDerWaalsContact CD-NZ 3.25Å; E105-K109 HydrophobicContact CG-CD 4.16Å; E105-K109 WeakPolarHBondContact O-CB 3.32Å; E105-K109 VanDerWaalsContact O-CG 3.32Å; E105-K109 WeakPolarHBondContact O-CG 3.28Å; E105-K109 PolarHBondContact O-N 3.45Å; E105-K109 VanDerWaalsContact OE1-CE 3.29Å; E105-K109 WeakPolarHBondContact OE1-CE 3.47Å; E105-K109 IonicContact OE1-NZ 3.49Å; E105-K109 PolarHBondContact OE1-NZ 3.05Å; E105-K109 IonicContact OE2-NZ 3.02Å; N106-K109 PolarHBondContact O-N 2.99Å; K109-N112 PolarHBondContact O-N 3.48Å; K109-S113 WeakPolarHBondContact O-CB 3.36Å; K109-S113 PolarHBondContact O-N 3.04Å
110	E	92.5	Very high	91.4	Very high	131 Å²	131	64.2 Å²	64.2	61%	0.612	32%	0.315	S	S	*	.	H	α-helix	trans	-63.8	-45.4	176.4	-74.8	177.6	-175.5	0	0	111.3	N106 E107 S113 S114	N106-E110 WeakPolarHBondContact O-CB 3.45Å; N106-E110 WeakPolarHBondContact O-CG 3.49Å; N106-E110 PolarHBondContact O-N 3.23Å; E107-E110 PolarHBondContact O-N 2.99Å; E110-S113 PolarHBondContact O-N 3.47Å; E110-S114 VanDerWaalsContact O-CB 3.28Å; E110-S114 WeakPolarHBondContact O-CB 3.46Å; E110-S114 PolarHBondContact O-N 3.22Å; E110-S114 PolarHBondContact O-OG 3.44Å
111	V	91	Very high	91.3	Very high	18 Å²	18	63.8 Å²	63.8	11%	0.109	32%	0.315	C	S	.	.	H	α-helix	trans	-63.2	-43.1	176.2	171.5	0	0	0	0	110.9	E107 L108 S114 A115 T282 R286	E107-V111 WeakPolarHBondContact O-CB 3.25Å; E107-V111 WeakPolarHBondContact O-CG2 3.26Å; E107-V111 PolarHBondContact O-N 3.25Å; L108-V111 PolarHBondContact O-N 3.15Å; V111-S114 PolarHBondContact O-N 3.24Å; V111-A115 VanDerWaalsContact O-CB 3.23Å; V111-A115 WeakPolarHBondContact O-CB 3.34Å; V111-A115 PolarHBondContact O-N 3.44Å; V111-T282 HydrophobicContact CG1-CG2 4Å; V111-R286 HydrophobicContact CG1-CB 3.74Å; V111-R286 HydrophobicContact CG1-CG 3.9Å
112	N	89.1	Confident	91.1	Very high	33 Å²	33	67.5 Å²	67.5	18%	0.176	33%	0.33	C	S	.	.	H	α-helix	trans	-65.4	-44.8	177.8	-79.6	-13.4	0	0	0	112.2	E71 L108 K109 S114 A115 E116 R286	E71-N112 PolarHBondContact OE2-ND2 3.31Å; L108-N112 VanDerWaalsContact O-CB 3.25Å; L108-N112 WeakPolarHBondContact O-CB 3.34Å; L108-N112 VanDerWaalsContact O-CG 3.25Å; L108-N112 PolarHBondContact O-N 3.41Å; K109-N112 PolarHBondContact O-N 3.48Å; N112-S114 VanDerWaalsContact C-N 3.33Å; N112-S114 PolarHBondContact O-N 2.88Å; N112-A115 PolarHBondContact O-N 2.86Å; N112-E116 WeakPolarHBondContact O-CB 3.25Å; N112-E116 PolarHBondContact O-N 2.97Å; N112-R286 WeakPolarHBondContact OD1-CD 3.4Å
113	S	91.4	Very high	90.8	Very high	50 Å²	50	64.2 Å²	64.2	35%	0.35	32%	0.315	S	S	.	.	H	α-helix	trans	-63.6	-39.8	176.2	-175	0	0	0	0	112	K109 E110 E116 K117	K109-S113 WeakPolarHBondContact O-CB 3.36Å; K109-S113 PolarHBondContact O-N 3.04Å; E110-S113 PolarHBondContact O-N 3.47Å; S113-E116 PolarHBondContact O-N 3.39Å; S113-K117 WeakPolarHBondContact O-CG 3.45Å; S113-K117 PolarHBondContact O-N 2.99Å
114	S	90.1	Very high	90.6	Very high	57 Å²	57	61.9 Å²	61.9	40%	0.399	31%	0.306	S	S	.	.	H	α-helix	trans	-66.9	-43.4	176.7	-58.1	0	0	0	0	111.3	E110 V111 N112 E116 K117 L118	E110-S114 VanDerWaalsContact O-CB 3.28Å; E110-S114 WeakPolarHBondContact O-CB 3.46Å; E110-S114 PolarHBondContact O-N 3.22Å; E110-S114 PolarHBondContact O-OG 3.44Å; V111-S114 PolarHBondContact O-N 3.24Å; N112-S114 VanDerWaalsContact C-N 3.33Å; N112-S114 PolarHBondContact O-N 2.88Å; S114-E116 PolarHBondContact O-N 2.89Å; S114-K117 PolarHBondContact O-N 2.96Å; S114-L118 WeakPolarHBondContact O-CB 3.38Å; S114-L118 VanDerWaalsContact O-CG 3.25Å; S114-L118 WeakPolarHBondContact O-CG 3.43Å; S114-L118 PolarHBondContact O-N 3.19Å
115	A	88.6	Confident	90.5	Very high	21 Å²	21	61.6 Å²	61.6	17%	0.174	31%	0.305	C	S	.	.	H	α-helix	trans	-63.1	-40	176.2	0	0	0	0	0	112.2	V111 N112 L118 K119 T282	V111-A115 VanDerWaalsContact O-CB 3.23Å; V111-A115 WeakPolarHBondContact O-CB 3.34Å; V111-A115 PolarHBondContact O-N 3.44Å; N112-A115 PolarHBondContact O-N 2.86Å; A115-L118 PolarHBondContact O-N 3.07Å; A115-K119 WeakPolarHBondContact O-CB 3.26Å; A115-K119 WeakPolarHBondContact O-CG 3.33Å; A115-K119 PolarHBondContact O-N 3.48Å; A115-T282 HydrophobicContact CB-CG2 4.24Å
116	E	88.1	Confident	90.3	Very high	126 Å²	126	62.4 Å²	62.4	59%	0.589	31%	0.311	S	S	*	.	H	α-helix	trans	-64.5	-45.6	176.3	-172	-177.4	176.6	0	0	111.7	N112 S113 S114 K119 K120	N112-E116 WeakPolarHBondContact O-CB 3.25Å; N112-E116 PolarHBondContact O-N 2.97Å; S113-E116 PolarHBondContact O-N 3.39Å; S114-E116 PolarHBondContact O-N 2.89Å; E116-K119 PolarHBondContact O-N 3.39Å; E116-K120 WeakPolarHBondContact O-CB 3.24Å; E116-K120 PolarHBondContact O-N 3.45Å
117	K	90.9	Very high	90	Very high	136 Å²	136	59.5 Å²	59.5	59%	0.591	30%	0.295	S	S	*	.	H	α-helix	trans	-60.4	-46.2	174.6	-71.7	172.4	-173.7	173.2	0	111.7	S113 S114 K120 T121	S113-K117 WeakPolarHBondContact O-CG 3.45Å; S113-K117 PolarHBondContact O-N 2.99Å; S114-K117 PolarHBondContact O-N 2.96Å; K117-K120 WeakPolarHBondContact O-CB 3.44Å; K117-K120 PolarHBondContact O-N 3.43Å; K117-T121 PolarHBondContact O-N 3.38Å; K117-T121 PolarHBondContact O-OG1 3.01Å
118	L	90.8	Very high	89.9	Confident	36 Å²	36	57.5 Å²	57.5	19%	0.188	29%	0.286	C	S	.	.	H	α-helix	trans	-62.4	-43.7	177.6	-73.8	168.3	0	0	0	111.7	S114 A115 K120 T121 Y122 L275 V278	S114-L118 WeakPolarHBondContact O-CB 3.38Å; S114-L118 VanDerWaalsContact O-CG 3.25Å; S114-L118 WeakPolarHBondContact O-CG 3.43Å; S114-L118 PolarHBondContact O-N 3.19Å; A115-L118 PolarHBondContact O-N 3.07Å; L118-K120 VanDerWaalsContact C-N 3.31Å; L118-K120 PolarHBondContact O-N 3.38Å; L118-T121 PolarHBondContact O-N 3.02Å; L118-Y122 VanDerWaalsContact O-CB 3.26Å; L118-Y122 WeakPolarHBondContact O-CB 3.44Å; L118-Y122 PolarHBondContact O-N 3.47Å; L118-L275 HydrophobicContact CD2-CD2 3.7Å; L118-V278 HydrophobicContact CD1-CG1 3.87Å; L118-V278 HydrophobicContact CD2-CG1 4.27Å
119	K	88.6	Confident	89.8	Confident	83 Å²	83	61.4 Å²	61.4	36%	0.361	30%	0.303	S	S	.	.	H	α-helix	trans	-60.2	-40.9	174.1	-82.1	-172.4	170.8	-156	0	111.8	A115 E116 Y122 L123 E214 L216 L279	A115-K119 WeakPolarHBondContact O-CB 3.26Å; A115-K119 WeakPolarHBondContact O-CG 3.33Å; A115-K119 PolarHBondContact O-N 3.48Å; E116-K119 PolarHBondContact O-N 3.39Å; K119-Y122 PolarHBondContact O-N 3.42Å; K119-L123 WeakPolarHBondContact O-CB 3.38Å; K119-L123 PolarHBondContact O-N 3.03Å; K119-E214 IonicContact NZ-OE1 3.48Å; K119-E214 PolarHBondContact NZ-OE1 3.15Å; K119-L216 HydrophobicContact CB-CD2 3.73Å; K119-L279 HydrophobicContact CG-CD1 3.97Å
120	K	89.1	Confident	89.5	Confident	111 Å²	111	58 Å²	58	48%	0.483	29%	0.289	S	S	.	.	H	α-helix	trans	-62.4	-49.9	176.8	-176.6	178.9	175.3	-176.1	0	111.8	E116 K117 L118 Y122 L123 E124 L216	E116-K120 WeakPolarHBondContact O-CB 3.24Å; E116-K120 PolarHBondContact O-N 3.45Å; K117-K120 WeakPolarHBondContact O-CB 3.44Å; K117-K120 PolarHBondContact O-N 3.43Å; L118-K120 VanDerWaalsContact C-N 3.31Å; L118-K120 PolarHBondContact O-N 3.38Å; K120-Y122 VanDerWaalsContact C-N 3.31Å; K120-Y122 PolarHBondContact O-N 2.91Å; K120-L123 WeakPolarHBondContact O-CB 3.29Å; K120-L123 PolarHBondContact O-N 3.17Å; K120-E124 WeakPolarHBondContact CE-OE1 3.36Å; K120-E124 WeakPolarHBondContact O-CG 3.4Å; K120-E124 PolarHBondContact O-N 2.73Å; K120-L216 HydrophobicContact CB-CD1 3.72Å; K120-L216 HydrophobicContact CB-CD2 4.49Å; K120-L216 HydrophobicContact CD-CD1 4.49Å; K120-L216 HydrophobicContact CG-CD1 3.74Å
121	T	90.7	Very high	89.3	Confident	61 Å²	61	51.8 Å²	51.8	37%	0.374	26%	0.26	S	S	.	.	H	α-helix	trans	-61.9	-41	176.6	-52.6	0	0	0	0	111.5	K117 L118 L123 E124 L125 L275	K117-T121 PolarHBondContact O-N 3.38Å; K117-T121 PolarHBondContact O-OG1 3.01Å; L118-T121 PolarHBondContact O-N 3.02Å; T121-L123 VanDerWaalsContact C-N 3.34Å; T121-L123 PolarHBondContact O-N 3.06Å; T121-E124 PolarHBondContact O-N 2.85Å; T121-L125 HydrophobicContact CG2-CD1 4.36Å; T121-L125 WeakPolarHBondContact O-CG 3.32Å; T121-L125 PolarHBondContact O-N 3.28Å; T121-L275 HydrophobicContact CG2-CD1 3.92Å
122	Y	90	Very high	89.1	Confident	78 Å²	78	51.2 Å²	51.2	31%	0.306	26%	0.256	S	S	.	.	H	α-helix	trans	-60.2	-43.6	175.7	179.8	-90.9	0	0	0	111.8	L118 K119 K120 L125 S126 I272 L275	L118-Y122 VanDerWaalsContact O-CB 3.26Å; L118-Y122 WeakPolarHBondContact O-CB 3.44Å; L118-Y122 PolarHBondContact O-N 3.47Å; K119-Y122 PolarHBondContact O-N 3.42Å; K120-Y122 VanDerWaalsContact C-N 3.31Å; K120-Y122 PolarHBondContact O-N 2.91Å; Y122-L125 PolarHBondContact O-N 2.75Å; Y122-S126 VanDerWaalsContact O-CB 3.25Å; Y122-S126 WeakPolarHBondContact O-CB 3.38Å; Y122-S126 PolarHBondContact O-N 2.92Å; Y122-I272 HydrophobicContact CD2-CG2 4.4Å; Y122-I272 HydrophobicContact CE2-CG2 3.79Å; Y122-L275 HydrophobicContact CD2-CB 4.43Å
123	L	87.8	Confident	89	Confident	19 Å²	19	56.9 Å²	56.9	10%	0.099	28%	0.275	C	S	.	.	H	α-helix	trans	-61.8	-47.3	175.8	-178.6	66.7	0	0	0	111.3	K119 K120 T121 L125 S126 E127 L213 L216	K119-L123 WeakPolarHBondContact O-CB 3.38Å; K119-L123 PolarHBondContact O-N 3.03Å; K120-L123 WeakPolarHBondContact O-CB 3.29Å; K120-L123 PolarHBondContact O-N 3.17Å; T121-L123 VanDerWaalsContact C-N 3.34Å; T121-L123 PolarHBondContact O-N 3.06Å; L123-L125 VanDerWaalsContact C-N 3.35Å; L123-L125 PolarHBondContact O-N 3.45Å; L123-S126 PolarHBondContact O-N 3.39Å; L123-E127 WeakPolarHBondContact O-CB 3.35Å; L123-E127 WeakPolarHBondContact O-CG 3.47Å; L123-E127 PolarHBondContact O-N 3.06Å; L123-L213 HydrophobicContact CD1-CB 3.85Å; L123-L213 HydrophobicContact CD1-CD1 4.3Å; L123-L213 HydrophobicContact CD1-CD2 4.3Å; L123-L213 HydrophobicContact CD1-CG 4.38Å; L123-L216 HydrophobicContact CD2-CD1 3.95Å; L123-L216 HydrophobicContact CD2-CG 3.89Å
124	E	88.4	Confident	88.6	Confident	83 Å²	83	56.1 Å²	56.1	39%	0.388	27%	0.265	S	S	.	.	H	α-helix	trans	-61.3	-40.9	179.6	-72.1	173.1	-174.3	0	0	112.4	K120 T121 L128 Y252	K120-E124 WeakPolarHBondContact CE-OE1 3.36Å; K120-E124 WeakPolarHBondContact O-CG 3.4Å; K120-E124 PolarHBondContact O-N 2.73Å; T121-E124 PolarHBondContact O-N 2.85Å; E124-L128 PolarHBondContact O-N 3.48Å; E124-L128 VanDerWaalsContact O-N 3.07Å; E124-Y252 WeakPolarHBondContact CA-OH 3.35Å; E124-Y252 PolarHBondContact O-OH 3.18Å
125	L	90.1	Very high	88.3	Confident	23 Å²	23	53.4 Å²	53.4	12%	0.12	25%	0.246	C	C	.	.	H	α-helix	trans	-72.8	-35.1	176	-68.9	-178.7	0	0	0	112.6	T121 Y122 L123 E127 L128 K129 V268 Q271 I272 L275	T121-L125 HydrophobicContact CG2-CD1 4.36Å; T121-L125 WeakPolarHBondContact O-CG 3.32Å; T121-L125 PolarHBondContact O-N 3.28Å; Y122-L125 PolarHBondContact O-N 2.75Å; L123-L125 VanDerWaalsContact C-N 3.35Å; L123-L125 PolarHBondContact O-N 3.45Å; L125-E127 VanDerWaalsContact C-N 3.35Å; L125-L128 HydrophobicContact CD2-CD2 4.48Å; L125-L128 PolarHBondContact O-N 2.83Å; L125-K129 WeakPolarHBondContact O-CB 3.25Å; L125-K129 PolarHBondContact O-N 2.87Å; L125-V268 HydrophobicContact CB-CG1 4.35Å; L125-V268 HydrophobicContact CD2-CG1 4.4Å; L125-Q271 HydrophobicContact CD1-CB 3.9Å; L125-I272 HydrophobicContact CB-CD1 4.11Å; L125-I272 HydrophobicContact CB-CG1 3.75Å; L125-I272 HydrophobicContact CD1-CG1 4.36Å; L125-L275 HydrophobicContact CD1-CD1 3.56Å
126	S	88.5	Confident	87.7	Confident	22 Å²	22	54.4 Å²	54.4	15%	0.154	25%	0.247	C	C	.	.	H	α-helix	trans	-64.8	-40.7	174.7	-169.3	0	0	0	0	111.5	Y122 L123 K129 Q130	Y122-S126 VanDerWaalsContact O-CB 3.25Å; Y122-S126 WeakPolarHBondContact O-CB 3.38Å; Y122-S126 PolarHBondContact O-N 2.92Å; L123-S126 PolarHBondContact O-N 3.39Å; S126-K129 PolarHBondContact O-N 3.45Å; S126-Q130 PolarHBondContact O-N 2.9Å
127	E	88.4	Confident	87.3	Confident	7 Å²	7	51.5 Å²	51.5	3%	0.033	24%	0.238	C	C	.	.	H	α-helix	trans	-57.8	-50.7	170.2	-78.4	-171.3	-165.7	0	0	111.2	L123 L125 K129 Q130 I131 I181 L213 K224 T250 Y252	L123-E127 WeakPolarHBondContact O-CB 3.35Å; L123-E127 WeakPolarHBondContact O-CG 3.47Å; L123-E127 PolarHBondContact O-N 3.06Å; L125-E127 VanDerWaalsContact C-N 3.35Å; E127-K129 PolarHBondContact O-N 3.36Å; E127-Q130 PolarHBondContact O-N 3.49Å; E127-I131 WeakPolarHBondContact O-CG1 3.23Å; E127-I131 PolarHBondContact O-N 2.85Å; E127-I181 HydrophobicContact CB-CD1 3.5Å; E127-I181 HydrophobicContact CG-CD1 3.82Å; E127-I181 WeakPolarHBondContact O-CD1 3.4Å; E127-L213 HydrophobicContact CG-CD1 3.95Å; E127-K224 IonicContact OE1-NZ 2.7Å; E127-K224 PolarHBondContact OE1-NZ 3.42Å; E127-T250 PolarHBondContact OE2-OG1 3.4Å; E127-Y252 HydrophobicContact CB-CE2 3.92Å; E127-Y252 PolarHBondContact OE2-OH 2.83Å
128	L	90.1	Very high	86.8	Confident	22 Å²	22	46 Å²	46	12%	0.115	21%	0.214	C	C	.	.	H	α-helix	trans	-60.6	-43.8	178	179.8	60	0	0	0	112.8	E124 L125 Q130 I131 L132 Y252 V268	E124-L128 PolarHBondContact O-N 3.48Å; E124-L128 VanDerWaalsContact O-N 3.07Å; L125-L128 HydrophobicContact CD2-CD2 4.48Å; L125-L128 PolarHBondContact O-N 2.83Å; L128-Q130 VanDerWaalsContact C-N 3.27Å; L128-Q130 PolarHBondContact O-N 3.43Å; L128-I131 PolarHBondContact O-N 3.49Å; L128-L132 HydrophobicContact CD1-CD1 4.3Å; L128-L132 HydrophobicContact CD1-CG 4.3Å; L128-L132 HydrophobicContact CG-CD1 4.14Å; L128-L132 WeakPolarHBondContact O-CG 3.36Å; L128-L132 PolarHBondContact O-N 3.25Å; L128-Y252 HydrophobicContact CB-CD1 4.06Å; L128-Y252 HydrophobicContact CB-CE1 4.16Å; L128-Y252 HydrophobicContact CD1-CD1 3.94Å; L128-Y252 HydrophobicContact CD1-CG 4.13Å; L128-Y252 HydrophobicContact CG-CD1 4.44Å; L128-V268 HydrophobicContact CD2-CG2 3.59Å; L128-V268 HydrophobicContact CG-CG2 4.16Å
129	K	88.8	Confident	86.1	Confident	82 Å²	82	46.3 Å²	46.3	36%	0.357	21%	0.214	S	C	.	.	H	α-helix	trans	-54.9	-45	174.9	174.4	-171.3	173.3	-176.2	0	111	L125 S126 E127 L132 R133 V268 I272	L125-K129 WeakPolarHBondContact O-CB 3.25Å; L125-K129 PolarHBondContact O-N 2.87Å; S126-K129 PolarHBondContact O-N 3.45Å; E127-K129 PolarHBondContact O-N 3.36Å; K129-L132 PolarHBondContact O-N 3.11Å; K129-R133 WeakPolarHBondContact O-CB 3.29Å; K129-R133 PolarHBondContact O-N 3.22Å; K129-V268 HydrophobicContact CB-CG1 4.13Å; K129-I272 HydrophobicContact CB-CD1 3.92Å; K129-I272 HydrophobicContact CD-CD1 3.79Å; K129-I272 HydrophobicContact CG-CD1 4.38Å
130	Q	86.8	Confident	85.3	Confident	18 Å²	18	45.4 Å²	45.4	8%	0.084	21%	0.214	C	C	.	.	H	α-helix	trans	-70.2	-37.5	-178.7	-172.7	63.9	1.5	0	0	112.4	S126 E127 L128 R133 K134 V209 V226	S126-Q130 PolarHBondContact O-N 2.9Å; E127-Q130 PolarHBondContact O-N 3.49Å; L128-Q130 VanDerWaalsContact C-N 3.27Å; L128-Q130 PolarHBondContact O-N 3.43Å; Q130-R133 PolarHBondContact O-N 2.9Å; Q130-K134 HydrophobicContact CG-CG 4.47Å; Q130-K134 WeakPolarHBondContact O-CG 3.43Å; Q130-K134 PolarHBondContact O-N 2.81Å; Q130-V209 HydrophobicContact CG-CB 4.18Å; Q130-V209 HydrophobicContact CG-CG1 3.73Å; Q130-V209 HydrophobicContact CG-CG2 3.56Å; Q130-V226 HydrophobicContact CG-CG2 4.05Å
131	I	88.5	Confident	84.5	Confident	1 Å²	1	45 Å²	45	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-60.2	-50.6	171.9	-69.1	170.5	0	0	0	110.3	E127 L128 R133 K134 T135 A179 I181 V226 Y252	E127-I131 WeakPolarHBondContact O-CG1 3.23Å; E127-I131 PolarHBondContact O-N 2.85Å; L128-I131 PolarHBondContact O-N 3.49Å; I131-R133 VanDerWaalsContact C-N 3.31Å; I131-R133 PolarHBondContact O-N 3.31Å; I131-K134 PolarHBondContact O-N 3.35Å; I131-T135 WeakPolarHBondContact O-CB 3.36Å; I131-T135 PolarHBondContact O-N 2.93Å; I131-T135 PolarHBondContact O-OG1 3.29Å; I131-A179 HydrophobicContact CG2-CB 3.87Å; I131-I181 HydrophobicContact CD1-CD1 3.65Å; I131-I181 HydrophobicContact CD1-CG1 3.76Å; I131-I181 HydrophobicContact CG1-CD1 3.48Å; I131-I181 VanDerWaalsContact CG1-CD1 3.48Å; I131-I181 HydrophobicContact CG1-CG1 3.65Å; I131-V226 HydrophobicContact CG1-CG1 4.09Å; I131-V226 HydrophobicContact CG1-CG2 4.18Å; I131-Y252 HydrophobicContact CD1-CD2 3.18Å; I131-Y252 HydrophobicContact CD1-CE2 3.96Å; I131-Y252 HydrophobicContact CD1-CG 3.76Å
132	L	87.5	Confident	83.3	Confident	6 Å²	6	44 Å²	44	3%	0.031	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-41.6	-178.5	-70.9	170.2	0	0	0	111.6	L128 K129 Q136 R261 M264 A265 V268	L128-L132 HydrophobicContact CD1-CD1 4.3Å; L128-L132 HydrophobicContact CD1-CG 4.3Å; L128-L132 HydrophobicContact CG-CD1 4.14Å; L128-L132 WeakPolarHBondContact O-CG 3.36Å; L128-L132 PolarHBondContact O-N 3.25Å; K129-L132 PolarHBondContact O-N 3.11Å; L132-Q136 PolarHBondContact O-N 2.68Å; L132-Q136 VanDerWaalsContact O-N 3.17Å; L132-R261 HydrophobicContact CD2-CG 4.31Å; L132-M264 HydrophobicContact CD1-CB 4.35Å; L132-M264 HydrophobicContact CD1-CG 3.94Å; L132-M264 HydrophobicContact CD1-SD 4.31Å; L132-M264 HydrophobicContact CD2-SD 4.21Å; L132-A265 HydrophobicContact CB-CB 4.36Å; L132-A265 HydrophobicContact CD1-CB 4.14Å; L132-V268 HydrophobicContact CD1-CG2 4.39Å
133	R	85.3	Confident	81.8	Confident	152 Å²	152	44.9 Å²	44.9	57%	0.574	22%	0.222	S	C	*	.	H	α-helix	trans	-65.4	-48.2	177.9	-174.8	179.4	171	-168.6	-2.6	112.9	K129 Q130 I131	K129-R133 WeakPolarHBondContact O-CB 3.29Å; K129-R133 PolarHBondContact O-N 3.22Å; Q130-R133 PolarHBondContact O-N 2.9Å; I131-R133 VanDerWaalsContact C-N 3.31Å; I131-R133 PolarHBondContact O-N 3.31Å
134	K	84.3	Confident	80.1	Confident	34 Å²	34	48.5 Å²	48.5	15%	0.148	24%	0.244	C	C	.	.	H	α-helix	trans	-77.6	-27.9	-178.7	-64.1	-74.3	-176.9	168.7	0	112.5	Q130 I131 Q136 T137 F138 A207 E208 D210	Q130-K134 HydrophobicContact CG-CG 4.47Å; Q130-K134 WeakPolarHBondContact O-CG 3.43Å; Q130-K134 PolarHBondContact O-N 2.81Å; I131-K134 PolarHBondContact O-N 3.35Å; K134-Q136 VanDerWaalsContact C-N 3.34Å; K134-T137 WeakPolarHBondContact CA-OG1 3.32Å; K134-T137 PolarHBondContact O-N 3.11Å; K134-T137 PolarHBondContact O-OG1 3.38Å; K134-F138 HydrophobicContact CB-CE2 4.39Å; K134-F138 WeakPolarHBondContact O-CD2 3.46Å; K134-F138 WeakPolarHBondContact O-CG 3.31Å; K134-F138 PolarHBondContact O-N 3.02Å; K134-F138 VanDerWaalsContact O-N 3.11Å; K134-A207 HydrophobicContact CB-CB 4.28Å; K134-A207 HydrophobicContact CD-CB 4.03Å; K134-A207 HydrophobicContact CG-CB 4.29Å; K134-E208 WeakPolarHBondContact CE-O 3.14Å; K134-E208 PolarHBondContact NZ-O 3.48Å; K134-D210 IonicContact NZ-OD1 3.03Å; K134-D210 IonicContact NZ-OD2 2.67Å; K134-D210 PolarHBondContact NZ-OD2 3.39Å
135	T	82.4	Confident	78.3	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66.5	-39.1	173.2	-58	0	0	0	0	111.2	I131 T137 F138 F139 L228	I131-T135 WeakPolarHBondContact O-CB 3.36Å; I131-T135 PolarHBondContact O-N 2.93Å; I131-T135 PolarHBondContact O-OG1 3.29Å; T135-T137 VanDerWaalsContact C-N 3.32Å; T135-T137 PolarHBondContact O-N 3.05Å; T135-F138 PolarHBondContact O-N 3.39Å; T135-F139 HydrophobicContact CG2-CD2 3.54Å; T135-F139 HydrophobicContact CG2-CE2 3.44Å; T135-F139 VanDerWaalsContact CG2-CE2 3.44Å; T135-F139 WeakPolarHBondContact O-CD2 3.32Å; T135-F139 PolarHBondContact O-N 3.44Å; T135-F139 VanDerWaalsContact O-N 3.09Å; T135-L228 HydrophobicContact CG2-CD2 3.83Å
136	Q	78	Confident	76.3	Confident	42 Å²	42	53.6 Å²	53.6	20%	0.196	28%	0.275	C	S	.	.	H	α-helix	trans	-56.8	-46.9	173.9	-173.8	56.8	32.7	0	0	111.5	L132 K134 F138 F139 D140	L132-Q136 PolarHBondContact O-N 2.68Å; L132-Q136 VanDerWaalsContact O-N 3.17Å; K134-Q136 VanDerWaalsContact C-N 3.34Å; Q136-F138 VanDerWaalsContact C-N 3.35Å; Q136-F138 PolarHBondContact O-N 2.7Å; Q136-F139 PolarHBondContact O-N 3.29Å; Q136-D140 VanDerWaalsContact NE2-CG 3.27Å; Q136-D140 PolarHBondContact NE2-OD1 2.88Å; Q136-D140 PolarHBondContact NE2-OD2 3.12Å; Q136-D140 WeakPolarHBondContact O-CB 3.27Å; Q136-D140 PolarHBondContact O-N 2.88Å
137	T	79.4	Confident	74.2	Confident	65 Å²	65	60.6 Å²	60.6	40%	0.399	31%	0.305	S	S	.	.	H	α-helix	trans	-61.7	-39.6	176.3	48	0	0	0	0	112.6	K134 T135 F139 D140 E141	K134-T137 WeakPolarHBondContact CA-OG1 3.32Å; K134-T137 PolarHBondContact O-N 3.11Å; K134-T137 PolarHBondContact O-OG1 3.38Å; T135-T137 VanDerWaalsContact C-N 3.32Å; T135-T137 PolarHBondContact O-N 3.05Å; T137-F139 PolarHBondContact O-N 2.9Å; T137-D140 PolarHBondContact O-N 2.8Å; T137-E141 VanDerWaalsContact O-CG 3.29Å; T137-E141 WeakPolarHBondContact O-CG 3.29Å; T137-E141 PolarHBondContact O-N 3.43Å
138	F	79.9	Confident	72.1	Confident	20 Å²	20	66.7 Å²	66.7	9%	0.088	34%	0.338	C	S	.	.	H	α-helix	trans	-66.2	-34.8	178.7	-71.3	-51.8	0	0	0	114.7	K134 T135 Q136 A142 K205 Q206 A207 L228	K134-F138 HydrophobicContact CB-CE2 4.39Å; K134-F138 WeakPolarHBondContact O-CD2 3.46Å; K134-F138 WeakPolarHBondContact O-CG 3.31Å; K134-F138 PolarHBondContact O-N 3.02Å; K134-F138 VanDerWaalsContact O-N 3.11Å; T135-F138 PolarHBondContact O-N 3.39Å; Q136-F138 VanDerWaalsContact C-N 3.35Å; Q136-F138 PolarHBondContact O-N 2.7Å; F138-A142 PolarHBondContact O-N 3.36Å; F138-K205 HydrophobicContact CB-CD 4.26Å; F138-K205 HydrophobicContact CD1-CB 4.17Å; F138-K205 HydrophobicContact CD1-CD 3.65Å; F138-K205 HydrophobicContact CE1-CB 4.01Å; F138-K205 HydrophobicContact CE1-CD 4.21Å; F138-K205 HydrophobicContact CG-CD 4.13Å; F138-K205 HydrophobicContact CZ-CB 4.26Å; F138-Q206 VanDerWaalsContact CZ-C 3.49Å; F138-A207 HydrophobicContact CE1-CB 4.26Å; F138-A207 HydrophobicContact CE2-CB 3.85Å; F138-A207 HydrophobicContact CZ-CB 3.34Å; F138-L228 HydrophobicContact CD2-CD1 3.54Å; F138-L228 HydrophobicContact CD2-CD2 4.38Å; F138-L228 HydrophobicContact CE2-CD1 3.69Å
139	F	75.9	Confident	69.8	Low	43 Å²	43	72.8 Å²	72.8	19%	0.189	37%	0.37	C	S	.	.	H	α-helix	trans	-78	-36	176.4	-82.8	-74.2	0	0	0	111.9	T135 Q136 T137 A142 N143 F177 L228 R261	T135-F139 HydrophobicContact CG2-CD2 3.54Å; T135-F139 HydrophobicContact CG2-CE2 3.44Å; T135-F139 VanDerWaalsContact CG2-CE2 3.44Å; T135-F139 WeakPolarHBondContact O-CD2 3.32Å; T135-F139 PolarHBondContact O-N 3.44Å; T135-F139 VanDerWaalsContact O-N 3.09Å; Q136-F139 PolarHBondContact O-N 3.29Å; T137-F139 PolarHBondContact O-N 2.9Å; F139-A142 PolarHBondContact O-N 3.46Å; F139-N143 PolarHBondContact O-N 3.42Å; F139-N143 VanDerWaalsContact O-N 3.09Å; F139-F177 HydrophobicContact CE2-CE1 4.43Å; F139-F177 HydrophobicContact CE2-CE2 4.35Å; F139-F177 HydrophobicContact CE2-CZ 4.09Å; F139-F177 HydrophobicContact CZ-CD1 4.18Å; F139-F177 AromaticContact CZ-CE1 3.71Å; F139-F177 HydrophobicContact CZ-CE1 3.71Å; F139-F177 HydrophobicContact CZ-CE2 4.34Å; F139-F177 AromaticContact CZ-CZ 3.82Å; F139-F177 HydrophobicContact CZ-CZ 3.82Å; F139-L228 HydrophobicContact CE2-CD2 4.43Å; F139-R261 VanDerWaalsContact CD2-CZ 3.46Å
140	D	72.4	Confident	67.5	Low	65 Å²	65	76.6 Å²	76.6	35%	0.348	39%	0.394	S	S	.	.	H	α-helix	trans	-64.8	-41.4	175.9	-68.2	-22.5	0	0	0	110.7	Q136 T137 A142 N143 V144	Q136-D140 VanDerWaalsContact NE2-CG 3.27Å; Q136-D140 PolarHBondContact NE2-OD1 2.88Å; Q136-D140 PolarHBondContact NE2-OD2 3.12Å; Q136-D140 WeakPolarHBondContact O-CB 3.27Å; Q136-D140 PolarHBondContact O-N 2.88Å; T137-D140 PolarHBondContact O-N 2.8Å; D140-A142 PolarHBondContact O-N 3.35Å; D140-N143 PolarHBondContact O-N 2.91Å; D140-V144 WeakPolarHBondContact O-CG2 3.34Å; D140-V144 PolarHBondContact O-N 2.86Å
141	E	70.8	Confident	65.1	Low	103 Å²	103	83.3 Å²	83.3	48%	0.481	43%	0.43	S	S	.	.	H	α-helix	trans	-59	-43.5	172.1	-74.5	168.1	-174.8	0	0	112.7	T137 N143 V144 E145 K205	T137-E141 VanDerWaalsContact O-CG 3.29Å; T137-E141 WeakPolarHBondContact O-CG 3.29Å; T137-E141 PolarHBondContact O-N 3.43Å; E141-N143 PolarHBondContact O-N 3.24Å; E141-V144 PolarHBondContact O-N 2.93Å; E141-E145 PolarHBondContact O-N 2.84Å; E141-E145 VanDerWaalsContact O-N 3.17Å; E141-K205 IonicContact OE2-NZ 3.94Å
142	A	65.7	Low	62.9	Low	40 Å²	40	88.8 Å²	88.8	33%	0.331	47%	0.466	S	S	.	.	H	α-helix	trans	-67.4	-35.6	-178.7	0	0	0	0	0	112.9	F138 F139 D140 V144 S146	F138-A142 PolarHBondContact O-N 3.36Å; F139-A142 PolarHBondContact O-N 3.46Å; D140-A142 PolarHBondContact O-N 3.35Å; A142-V144 VanDerWaalsContact C-N 3.32Å; A142-S146 PolarHBondContact O-N 2.76Å; A142-S146 PolarHBondContact O-OG 3.34Å
143	N	59.1	Low	60.7	Low	96 Å²	96	95.1 Å²	95.1	51%	0.513	51%	0.505	S	S	.	.	H	α-helix	trans	-68.1	-32.9	176	-76.1	-18.5	0	0	0	111.9	F139 D140 E141 S146	F139-N143 PolarHBondContact O-N 3.42Å; F139-N143 VanDerWaalsContact O-N 3.09Å; D140-N143 PolarHBondContact O-N 2.91Å; E141-N143 PolarHBondContact O-N 3.24Å; N143-S146 PolarHBondContact O-OG 2.96Å
144	V	52.3	Low	58.5	Low	95 Å²	95	94.6 Å²	94.6	58%	0.576	51%	0.513	S	S	*	.	H	α-helix	trans	-72.1	-40.9	178	176.5	0	0	0	0	111.5	D140 E141 A142 S146 H147 L148	D140-V144 WeakPolarHBondContact O-CG2 3.34Å; D140-V144 PolarHBondContact O-N 2.86Å; E141-V144 PolarHBondContact O-N 2.93Å; A142-V144 VanDerWaalsContact C-N 3.32Å; V144-S146 VanDerWaalsContact C-N 3.33Å; V144-S146 PolarHBondContact O-N 3.2Å; V144-H147 PolarHBondContact O-N 3.48Å; V144-L148 HydrophobicContact CG1-CD1 4.4Å
145	E	50.6	Low	56.6	Low	137 Å²	137	100.5 Å²	100.5	64%	0.64	55%	0.547	S	S	*	.	H	α-helix	trans	-63.3	-36.8	177	-75.5	179.8	162.4	0	0	112.5	E141 H147 L148	E141-E145 PolarHBondContact O-N 2.84Å; E141-E145 VanDerWaalsContact O-N 3.17Å; E145-H147 PolarHBondContact O-N 3.5Å; E145-L148 PolarHBondContact O-N 3.37Å
146	S	48.8	Very low	54.6	Low	75 Å²	75	105.4 Å²	105.4	52%	0.524	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.8	-14.6	180	63.5	0	0	0	0	115.3	A142 N143 V144	A142-S146 PolarHBondContact O-N 2.76Å; A142-S146 PolarHBondContact O-OG 3.34Å; N143-S146 PolarHBondContact O-OG 2.96Å; V144-S146 VanDerWaalsContact C-N 3.33Å; V144-S146 PolarHBondContact O-N 3.2Å
147	H	44.3	Very low	52.8	Low	169 Å²	169	110.9 Å²	110.9	78%	0.782	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-1.8	-179.4	-99.6	-77	0	0	0	114.4	V144 E145	V144-H147 PolarHBondContact O-N 3.48Å; E145-H147 PolarHBondContact O-N 3.5Å
148	L	43.1	Very low	51	Low	136 Å²	136	116.8 Å²	116.8	71%	0.712	63%	0.632	S	S	*	*	S	Bend	trans	-99.3	-2	-174.1	-79.3	154.1	0	0	0	115	V144 E145	V144-L148 HydrophobicContact CG1-CD1 4.4Å; E145-L148 PolarHBondContact O-N 3.37Å
149	D	42.3	Very low	48.9	Very low	150 Å²	150	123.2 Å²	123.2	80%	0.802	67%	0.667	S	S	*	*	S	Bend	trans	-118.3	21.1	-170.1	-90.1	-13.9	0	0	0	117
150	L	41.2	Very low	47.1	Very low	161 Å²	161	126.2 Å²	126.2	84%	0.843	69%	0.694	S	S	*	*			trans	-120.8	79.6	178.2	-77.5	157.2	0	0	0	112.8
151	N	36.1	Very low	45.5	Very low	159 Å²	159	130.2 Å²	130.2	85%	0.85	71%	0.71	S	S	*	*			trans	-88.3	119.9	160	-94.3	-21.2	0	0	0	109.4
152	P	41.3	Very low	43.8	Very low	117 Å²	117	134.7 Å²	134.7	76%	0.76	72%	0.723	S	S	*	*			trans	-88.7	111.8	177.5	33.4	-27.4	0	0	0	109.8
153	T	41.2	Very low	42.4	Very low	138 Å²	138	140.7 Å²	140.7	85%	0.847	75%	0.749	S	S	*	*			trans	-100.1	112.6	164.6	43.8	0	0	0	0	110.2
154	N	39.9	Very low	41.4	Very low	141 Å²	141	142.2 Å²	142.2	75%	0.754	76%	0.762	S	S	*	*			trans	-22.6	133.7	162.3	-57	-29.7	0	0	0	115.7
155	D	44	Very low	40.5	Very low	159 Å²	159	144.4 Å²	144.4	85%	0.85	78%	0.776	S	S	*	*				-166	145	98.5	-93.3	-24.3	0	0	0	112.4
156	P	41.2	Very low	39.7	Very low	103 Å²	103	140.7 Å²	140.7	67%	0.669	77%	0.774	S	S	*	*			trans	-106	140.4	-166.7	37.1	-25	0	0	0	112.4
157	D	39.2	Very low	38.8	Very low	156 Å²	156	146.4 Å²	146.4	83%	0.834	79%	0.792	S	S	*	*			trans	178.5	100.6	145.7	-96.5	-20.1	0	0	0	111.1
158	H	42.6	Very low	38.4	Very low	190 Å²	190	144.8 Å²	144.8	88%	0.88	79%	0.794	S	S	*	*				169	101.8	124.7	-101.3	-43.4	0	0	0	111.2
159	N	35.1	Very low	38	Very low	154 Å²	154	145.8 Å²	145.8	82%	0.824	80%	0.8	S	S	*	*			trans	-67.2	137.9	158.2	-85.1	-25.8	0	0	0	110.3
160	S	39.1	Very low	37.8	Very low	107 Å²	107	143.6 Å²	143.6	75%	0.748	80%	0.797	S	S	*	*				162.6	109.1	112.9	-65.4	0	0	0	0	112
161	E	37.2	Very low	37.5	Very low	148 Å²	148	142.8 Å²	142.8	69%	0.692	79%	0.793	S	S	*	*			trans	51	124.4	136.2	-70.1	-164.6	119.1	0	0	123.6
162	R	34.8	Very low	37.9	Very low	198 Å²	198	146.1 Å²	146.1	75%	0.747	79%	0.794	S	S	*	*			trans	72.8	108.4	140	-63.9	172	-161.8	-166.7	6.7	117.5
163	D	37.5	Very low	38.2	Very low	165 Å²	165	149.7 Å²	149.7	88%	0.882	79%	0.792	S	S	*	*				-164.4	146.3	102.8	-98.9	-26.5	0	0	0	113.5
164	V	37	Very low	39.2	Very low	129 Å²	129	149.4 Å²	149.4	78%	0.782	78%	0.781	S	S	*	*			trans	-77	150.2	176.3	173.2	0	0	0	0	108.9
165	T	34	Very low	40.7	Very low	141 Å²	141	146.6 Å²	146.6	87%	0.865	77%	0.769	S	S	*	*			trans	96.8	123.2	175.2	74.8	0	0	0	0	115.7
166	G	33.1	Very low	42.5	Very low	59 Å²	59	141.7 Å²	141.7	61%	0.608	74%	0.741	S	S	*	*			trans	140.5	89.3	165.5	0	0	0	0	0	115.8	T168	G166-T168 PolarHBondContact O-N 3.32Å
167	H	31.3	Very low	44.7	Very low	195 Å²	195	138.4 Å²	138.4	90%	0.903	72%	0.716	S	S	*	*			trans	17.1	104.3	139.2	-64.5	77.1	0	0	0	117.6
168	T	35.5	Very low	47.1	Very low	135 Å²	135	132.4 Å²	132.4	83%	0.828	68%	0.684	S	S	*	*			trans	-137.1	121.4	153.4	51.5	0	0	0	0	111.2	G166 S170	G166-T168 PolarHBondContact O-N 3.32Å; T168-S170 PolarHBondContact O-N 2.79Å; T168-S170 VanDerWaalsContact O-N 3.16Å
169	N	34.8	Very low	49.4	Very low	157 Å²	157	123.5 Å²	123.5	84%	0.84	64%	0.643	S	S	*	*			trans	-53.4	109.5	173.2	-88.6	-35.6	0	0	0	111.6	N171	N169-N171 PolarHBondContact O-N 2.99Å
170	S	37.9	Very low	52.1	Low	104 Å²	104	116.2 Å²	116.2	73%	0.727	60%	0.604	S	S	*	*			trans	-72.7	76.5	160.2	161.4	0	0	0	0	109.5	T168 R172	T168-S170 PolarHBondContact O-N 2.79Å; T168-S170 VanDerWaalsContact O-N 3.16Å; S170-R172 PolarHBondContact O-N 3.07Å
171	N	35.6	Very low	54.6	Low	143 Å²	143	111.2 Å²	111.2	77%	0.765	57%	0.569	S	S	*	*			trans	-80.2	59.1	171.9	-128.1	2.1	0	0	0	109.9	N169 R173	N169-N171 PolarHBondContact O-N 2.99Å; N171-R173 PolarHBondContact O-N 2.93Å; N171-R173 VanDerWaalsContact O-N 3.13Å
172	R	43.2	Very low	57.3	Low	230 Å²	230	104.3 Å²	104.3	87%	0.868	54%	0.537	S	S	*	.			trans	-74.5	98.5	169.1	-94	-175.8	168.5	-177.9	-3	107.9	S170 H174	S170-R172 PolarHBondContact O-N 3.07Å; R172-H174 PolarHBondContact O-N 3.31Å
173	R	48.1	Very low	59.9	Low	192 Å²	192	97.5 Å²	97.5	73%	0.725	52%	0.515	S	S	*	.			trans	-54	107.2	175.5	-72.1	173.3	172.3	-179.9	4.7	110.1	N171 V175 Q232	N171-R173 PolarHBondContact O-N 2.93Å; N171-R173 VanDerWaalsContact O-N 3.13Å; R173-V175 PolarHBondContact O-N 3.44Å; R173-Q232 VanDerWaalsContact CG-NE2 3.35Å
174	H	61.9	Low	62.4	Low	131 Å²	131	95.2 Å²	95.2	61%	0.606	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-69	122.9	176.4	-162.3	-82.8	0	0	0	109.7	R172	R172-H174 PolarHBondContact O-N 3.31Å
175	V	72.5	Confident	64.9	Low	83 Å²	83	97.6 Å²	97.6	50%	0.503	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-90.1	123.1	174.1	178.7	0	0	0	0	107.6	R173 F230	R173-V175 PolarHBondContact O-N 3.44Å; V175-F230 HydrophobicContact CG1-CB 4.18Å; V175-F230 HydrophobicContact CG1-CD1 4.24Å
176	E	81.9	Confident	67.7	Low	56 Å²	56	95.7 Å²	95.7	26%	0.262	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	152.5	173.4	-66.3	-170.2	174.6	0	0	109.9	F231 R237	E176-F231 HydrophobicContact CB-CD2 4.31Å; E176-F231 HydrophobicContact CB-CE2 3.69Å; E176-F231 HydrophobicContact CB-CZ 4.11Å; E176-F231 PolarHBondContact N-O 3.35Å; E176-F231 VanDerWaalsContact N-O 3.13Å; E176-F231 PolarHBondContact O-N 2.92Å; E176-F231 VanDerWaalsContact O-O 3.07Å; E176-R237 IonicContact OE1-NH1 3.6Å; E176-R237 WeakPolarHBondContact OE2-CD 3.46Å; E176-R237 IonicContact OE2-CZ 3.76Å; E176-R237 IonicContact OE2-NE 3.89Å; E176-R237 IonicContact OE2-NH1 2.98Å; E176-R237 PolarHBondContact OE2-NH1 3.29Å
177	F	87.4	Confident	70.4	Confident	33 Å²	33	93.5 Å²	93.5	15%	0.145	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	154.6	173.2	66.6	-87.3	0	0	0	112.5	F139 L228 V229 F230 C254 D256	F139-F177 HydrophobicContact CE2-CE1 4.43Å; F139-F177 HydrophobicContact CE2-CE2 4.35Å; F139-F177 HydrophobicContact CE2-CZ 4.09Å; F139-F177 HydrophobicContact CZ-CD1 4.18Å; F139-F177 AromaticContact CZ-CE1 3.71Å; F139-F177 HydrophobicContact CZ-CE1 3.71Å; F139-F177 HydrophobicContact CZ-CE2 4.34Å; F139-F177 AromaticContact CZ-CZ 3.82Å; F139-F177 HydrophobicContact CZ-CZ 3.82Å; F177-L228 HydrophobicContact CD2-CD2 4.41Å; F177-V229 CarbonylContact C-O 3.52Å; F177-V229 WeakPolarHBondContact CA-O 3.27Å; F177-F230 HydrophobicContact CB-CD1 3.61Å; F177-F230 HydrophobicContact CB-CE1 3.8Å; F177-F230 HydrophobicContact CB-CG 4.26Å; F177-F230 HydrophobicContact CD1-CE1 4.38Å; F177-F230 HydrophobicContact CG-CD1 4.43Å; F177-F230 HydrophobicContact CG-CE1 4.19Å; F177-C254 HydrophobicContact CE2-CB 4.04Å; F177-D256 WeakPolarHBondContact CE1-OD1 3.37Å; F177-D256 WeakPolarHBondContact CZ-OD1 3.49Å
178	L	89.4	Confident	73.3	Confident	31 Å²	31	87.6 Å²	87.6	16%	0.162	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.9	170.6	-76.7	168.8	0	0	0	109.1	L228 V229 F231 V240 L251	L178-L228 WeakPolarHBondContact O-CA 3.38Å; L178-V229 PolarHBondContact N-O 3.12Å; L178-V229 PolarHBondContact O-N 2.95Å; L178-F231 HydrophobicContact CB-CE1 4.03Å; L178-F231 HydrophobicContact CD1-CE1 3.57Å; L178-F231 HydrophobicContact CD1-CZ 3.78Å; L178-F231 HydrophobicContact CG-CE1 3.58Å; L178-F231 HydrophobicContact CG-CZ 3.73Å; L178-V240 HydrophobicContact CD1-CB 4.34Å; L178-V240 HydrophobicContact CD1-CG1 3.79Å; L178-L251 HydrophobicContact CB-CD2 4.37Å
179	A	90.7	Very high	76.1	Confident	3 Å²	3	82.9 Å²	82.9	3%	0.025	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	139.2	174.3	0	0	0	0	0	110.3	I131 F227 L228 Y252 C254	I131-A179 HydrophobicContact CG2-CB 3.87Å; A179-F227 WeakPolarHBondContact CA-O 3.46Å; A179-L228 HydrophobicContact CB-CG 4.27Å; A179-Y252 PolarHBondContact O-N 2.99Å; A179-Y252 VanDerWaalsContact O-N 3.13Å; A179-C254 HydrophobicContact CB-CB 4.19Å
180	G	91.8	Very high	78.9	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	175.7	176.7	0	0	0	0	0	113.6	V226 F227 T250	G180-V226 WeakPolarHBondContact O-CA 2.87Å; G180-F227 PolarHBondContact N-O 3.17Å; G180-F227 VanDerWaalsContact O-CD1 3.27Å; G180-F227 WeakPolarHBondContact O-CD1 3.35Å; G180-F227 PolarHBondContact O-N 2.87Å; G180-T250 CarbonylContact C-O 3.51Å; G180-T250 WeakPolarHBondContact CA-O 3.23Å
181	I	92.1	Very high	81.5	Confident	2 Å²	2	74.9 Å²	74.9	1%	0.01	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	141.6	176.6	-76.7	165.1	0	0	0	109.9	E127 I131 K224 S225 V226 A249 T250	E127-I181 HydrophobicContact CB-CD1 3.5Å; E127-I181 HydrophobicContact CG-CD1 3.82Å; E127-I181 WeakPolarHBondContact O-CD1 3.4Å; I131-I181 HydrophobicContact CD1-CD1 3.65Å; I131-I181 HydrophobicContact CD1-CG1 3.76Å; I131-I181 HydrophobicContact CG1-CD1 3.48Å; I131-I181 VanDerWaalsContact CG1-CD1 3.48Å; I131-I181 HydrophobicContact CG1-CG1 3.65Å; I181-K224 HydrophobicContact CG2-CB 3.7Å; I181-K224 HydrophobicContact CG2-CD 3.72Å; I181-K224 HydrophobicContact CG2-CG 4.19Å; I181-S225 WeakPolarHBondContact CA-O 3.23Å; I181-V226 HydrophobicContact CD1-CG2 4.21Å; I181-V226 HydrophobicContact CG1-CB 4.47Å; I181-V226 HydrophobicContact CG1-CG2 3.79Å; I181-A249 VanDerWaalsContact O-CA 3.31Å; I181-A249 WeakPolarHBondContact O-CA 3.47Å; I181-T250 PolarHBondContact N-O 3.22Å; I181-T250 PolarHBondContact O-N 3.15Å
182	I	92.3	Very high	84.1	Confident	4 Å²	4	75 Å²	75	2%	0.021	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	156	177.7	-165.3	170.6	0	0	0	110.9	R184 R186 L187 F190 K224 S225 F227 F247 A249	I182-R184 PolarHBondContact O-N 2.88Å; I182-R186 HydrophobicContact CD1-CB 3.98Å; I182-R186 HydrophobicContact CG1-CB 4.16Å; I182-L187 HydrophobicContact CG2-CB 4.49Å; I182-L187 HydrophobicContact CG2-CD1 3.77Å; I182-F190 HydrophobicContact CD1-CB 3.77Å; I182-F190 HydrophobicContact CD1-CD1 4.44Å; I182-F190 HydrophobicContact CD1-CD2 4.12Å; I182-F190 HydrophobicContact CD1-CG 3.87Å; I182-K224 CarbonylContact O-C 3.54Å; I182-K224 WeakPolarHBondContact O-CA 3.2Å; I182-S225 PolarHBondContact N-O 3.4Å; I182-S225 PolarHBondContact O-N 2.92Å; I182-F227 HydrophobicContact CB-CD1 4.12Å; I182-F227 HydrophobicContact CB-CE1 3.99Å; I182-F227 HydrophobicContact CG2-CD1 3.84Å; I182-F227 HydrophobicContact CG2-CE1 4.22Å; I182-F247 HydrophobicContact CD1-CB 3.98Å; I182-A249 HydrophobicContact CB-CB 4.28Å; I182-A249 HydrophobicContact CD1-CB 4.46Å; I182-A249 HydrophobicContact CG1-CB 4.4Å
183	L	90.8	Very high	86.5	Confident	54 Å²	54	68 Å²	68	28%	0.283	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	133.2	168.4	-65.6	171.1	0	0	0	110.7	E185 R186 L187 V222 K224	L183-E185 PolarHBondContact O-N 3.48Å; L183-E185 VanDerWaalsContact O-N 3.17Å; L183-R186 HydrophobicContact CB-CG 4.33Å; L183-R186 PolarHBondContact O-N 3.47Å; L183-L187 PolarHBondContact O-N 3.35Å; L183-V222 HydrophobicContact CD2-CG1 3.2Å; L183-K224 HydrophobicContact CD2-CG 4.31Å
184	R	88.9	Confident	88.5	Confident	118 Å²	118	59 Å²	59	45%	0.445	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-54.2	-38.8	-178.8	-172.2	-179.8	-171.8	-173	4.9	112.5	I182 R186 L187 E208 H223	I182-R184 PolarHBondContact O-N 2.88Å; R184-R186 VanDerWaalsContact C-N 3.27Å; R184-R186 PolarHBondContact O-N 3Å; R184-L187 VanDerWaalsContact O-CB 3.3Å; R184-L187 WeakPolarHBondContact O-CB 3.44Å; R184-L187 PolarHBondContact O-N 2.7Å; R184-E208 IonicContact CZ-OE1 3.36Å; R184-E208 IonicContact CZ-OE2 2.57Å; R184-E208 IonicContact NE-OE1 3.26Å; R184-E208 PolarHBondContact NE-OE1 2.92Å; R184-E208 IonicContact NE-OE2 2.73Å; R184-E208 VanDerWaalsContact NH2-CD 3.26Å; R184-E208 IonicContact NH2-OE1 3.84Å; R184-E208 PolarHBondContact NH2-OE1 3.49Å; R184-E208 IonicContact NH2-OE2 3.18Å; R184-E208 PolarHBondContact NH2-OE2 3.41Å; R184-H223 HydrophobicContact CB-CB 4.36Å; R184-H223 PolarHBondContact N-O 2.91Å; R184-H223 VanDerWaalsContact N-O 3.1Å
185	E	90.5	Very high	89.9	Confident	179 Å²	179	61.1 Å²	61.1	84%	0.836	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-63.6	-29.8	-179.7	-61	-179.5	174.4	0	0	113.6	L183	L183-E185 PolarHBondContact O-N 3.48Å; L183-E185 VanDerWaalsContact O-N 3.17Å
186	R	91.7	Very high	90.8	Very high	101 Å²	101	65.6 Å²	65.6	38%	0.381	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-88.6	-13.1	-178	-64.2	-174.7	179.7	-178.5	0.6	112.9	I182 L183 R184 A189 F190 F247 H248	I182-R186 HydrophobicContact CD1-CB 3.98Å; I182-R186 HydrophobicContact CG1-CB 4.16Å; L183-R186 HydrophobicContact CB-CG 4.33Å; L183-R186 PolarHBondContact O-N 3.47Å; R184-R186 VanDerWaalsContact C-N 3.27Å; R184-R186 PolarHBondContact O-N 3Å; R186-A189 PolarHBondContact O-N 2.95Å; R186-F190 WeakPolarHBondContact O-CB 3.48Å; R186-F190 PolarHBondContact O-N 3.43Å; R186-F247 PolarHBondContact NH1-O 3.41Å; R186-H248 PolarHBondContact NH1-CD2 3.25Å; R186-H248 VanDerWaalsContact NH1-CD2 3.27Å
187	L	90.9	Very high	91.1	Very high	13 Å²	13	65.5 Å²	65.5	7%	0.068	30%	0.295	C	S	.	.	H	α-helix	trans	-56.9	-46.8	-173.8	-172.4	67.2	0	0	0	113.6	I182 L183 R184 A189 F190 E191	I182-L187 HydrophobicContact CG2-CB 4.49Å; I182-L187 HydrophobicContact CG2-CD1 3.77Å; L183-L187 PolarHBondContact O-N 3.35Å; R184-L187 VanDerWaalsContact O-CB 3.3Å; R184-L187 WeakPolarHBondContact O-CB 3.44Å; R184-L187 PolarHBondContact O-N 2.7Å; L187-A189 VanDerWaalsContact C-N 3.28Å; L187-A189 PolarHBondContact O-N 2.8Å; L187-F190 WeakPolarHBondContact O-CB 3.41Å; L187-F190 PolarHBondContact O-N 3.32Å; L187-E191 PolarHBondContact O-N 2.9Å
188	P	92.6	Very high	91.1	Very high	71 Å²	71	64.1 Å²	64.1	46%	0.461	29%	0.29	S	S	.	.	H	α-helix	trans	-68.1	-26.8	-179.6	-19.6	33.4	0	0	0	113.5	R192	P188-R192 VanDerWaalsContact O-CG 3.31Å; P188-R192 WeakPolarHBondContact O-CG 3.37Å; P188-R192 PolarHBondContact O-N 3.47Å; P188-R192 PolarHBondContact O-NE 2.87Å
189	A	93.8	Very high	90.9	Very high	36 Å²	36	73.1 Å²	73.1	30%	0.298	32%	0.322	S	S	.	.	H	α-helix	trans	-77.6	-40	175.3	0	0	0	0	0	111.2	R186 L187 R192 M193 F247	R186-A189 PolarHBondContact O-N 2.95Å; L187-A189 VanDerWaalsContact C-N 3.28Å; L187-A189 PolarHBondContact O-N 2.8Å; A189-R192 PolarHBondContact O-N 2.69Å; A189-M193 PolarHBondContact O-N 2.71Å; A189-F247 HydrophobicContact CB-CE1 3.81Å; A189-F247 HydrophobicContact CB-CZ 4.33Å
190	F	93.7	Very high	90.6	Very high	0 Å²	0	74.7 Å²	74.7	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-60	-49.6	175.2	175.7	-105.3	0	0	0	111.7	I182 R186 L187 R192 M193 L194 L204 F227 I243 F247	I182-F190 HydrophobicContact CD1-CB 3.77Å; I182-F190 HydrophobicContact CD1-CD1 4.44Å; I182-F190 HydrophobicContact CD1-CD2 4.12Å; I182-F190 HydrophobicContact CD1-CG 3.87Å; R186-F190 WeakPolarHBondContact O-CB 3.48Å; R186-F190 PolarHBondContact O-N 3.43Å; L187-F190 WeakPolarHBondContact O-CB 3.41Å; L187-F190 PolarHBondContact O-N 3.32Å; F190-R192 PolarHBondContact O-N 3.39Å; F190-M193 PolarHBondContact O-N 2.9Å; F190-L194 HydrophobicContact CZ-CD1 4.17Å; F190-L194 WeakPolarHBondContact O-CB 3.29Å; F190-L194 PolarHBondContact O-N 2.88Å; F190-L204 HydrophobicContact CE1-CD1 4.15Å; F190-F227 HydrophobicContact CE1-CD1 4.45Å; F190-F227 AromaticContact CE1-CD2 3.86Å; F190-F227 HydrophobicContact CE1-CD2 3.86Å; F190-F227 HydrophobicContact CE1-CE2 4Å; F190-F227 HydrophobicContact CE1-CG 4.1Å; F190-F227 HydrophobicContact CE1-CZ 4.36Å; F190-F227 HydrophobicContact CZ-CD2 4.09Å; F190-F227 AromaticContact CZ-CE2 3.75Å; F190-F227 HydrophobicContact CZ-CE2 3.75Å; F190-F227 HydrophobicContact CZ-CZ 4.02Å; F190-I243 HydrophobicContact CD2-CG2 4.04Å; F190-I243 HydrophobicContact CE2-CG2 3.89Å; F190-F247 HydrophobicContact CB-CD1 4.23Å; F190-F247 HydrophobicContact CB-CD2 4.49Å; F190-F247 HydrophobicContact CB-CE1 4.41Å; F190-F247 HydrophobicContact CB-CG 4.27Å; F190-F247 HydrophobicContact CD2-CB 4.05Å; F190-F247 AromaticContact CD2-CD2 3.75Å; F190-F247 HydrophobicContact CD2-CD2 3.75Å; F190-F247 HydrophobicContact CD2-CE2 4.37Å; F190-F247 AromaticContact CD2-CG 3.91Å; F190-F247 HydrophobicContact CD2-CG 3.91Å
191	E	91.3	Very high	90.2	Very high	92 Å²	92	80.1 Å²	80.1	43%	0.43	37%	0.367	S	S	.	.	H	α-helix	trans	-57.8	-48.4	177.7	-178.8	-178.1	-176.5	0	0	112	L187 M193 L194 W195 L204	L187-E191 PolarHBondContact O-N 2.9Å; E191-M193 VanDerWaalsContact C-N 3.3Å; E191-M193 PolarHBondContact O-N 3.36Å; E191-L194 WeakPolarHBondContact O-CB 3.44Å; E191-L194 PolarHBondContact O-N 3.5Å; E191-W195 WeakPolarHBondContact O-CB 3.31Å; E191-W195 PolarHBondContact O-N 3.5Å; E191-L204 HydrophobicContact CB-CD2 3.87Å; E191-L204 HydrophobicContact CG-CD2 3.75Å
192	R	91.6	Very high	89.9	Confident	145 Å²	145	81 Å²	81	55%	0.547	37%	0.372	S	S	.	.	H	α-helix	trans	-60.3	-38.7	177.7	-76.2	-178.9	-70.3	160.5	-2.5	112.4	P188 A189 F190 R196	P188-R192 VanDerWaalsContact O-CG 3.31Å; P188-R192 WeakPolarHBondContact O-CG 3.37Å; P188-R192 PolarHBondContact O-N 3.47Å; P188-R192 PolarHBondContact O-NE 2.87Å; A189-R192 PolarHBondContact O-N 2.69Å; F190-R192 PolarHBondContact O-N 3.39Å; R192-R196 WeakPolarHBondContact O-CB 3.47Å; R192-R196 WeakPolarHBondContact O-CG 3.36Å; R192-R196 PolarHBondContact O-N 2.85Å; R192-R196 VanDerWaalsContact O-N 3.09Å
193	M	92.3	Very high	89.7	Confident	84 Å²	84	86.8 Å²	86.8	41%	0.414	40%	0.398	S	S	.	.	H	α-helix	trans	-68.9	-44.4	178.2	-171.2	65.3	171	0	0	111.3	A189 F190 E191 W195 R196 V197 I243 F247	A189-M193 PolarHBondContact O-N 2.71Å; F190-M193 PolarHBondContact O-N 2.9Å; E191-M193 VanDerWaalsContact C-N 3.3Å; E191-M193 PolarHBondContact O-N 3.36Å; M193-W195 VanDerWaalsContact C-N 3.32Å; M193-W195 PolarHBondContact O-N 2.88Å; M193-R196 PolarHBondContact O-N 3.35Å; M193-V197 HydrophobicContact CE-CG2 3.76Å; M193-V197 HydrophobicContact CG-CG2 4.26Å; M193-V197 WeakPolarHBondContact O-CG2 3.31Å; M193-V197 PolarHBondContact O-N 2.86Å; M193-V197 HydrophobicContact SD-CG2 4Å; M193-I243 HydrophobicContact CB-CG2 4.39Å; M193-I243 HydrophobicContact CG-CD1 4.48Å; M193-I243 HydrophobicContact CG-CG1 4.5Å; M193-I243 HydrophobicContact CG-CG2 4.05Å; M193-F247 HydrophobicContact CB-CE2 3.77Å; M193-F247 HydrophobicContact CB-CZ 3.99Å; M193-F247 HydrophobicContact CG-CE2 3.93Å; M193-F247 HydrophobicContact CG-CZ 4.45Å
194	L	91.3	Very high	89.7	Confident	4 Å²	4	85.8 Å²	85.8	2%	0.021	39%	0.392	C	S	.	.	H	α-helix	trans	-57.2	-47.3	177.1	-158.8	90.4	0	0	0	111	F190 E191 C198 V202 L204 V229 V240	F190-L194 HydrophobicContact CZ-CD1 4.17Å; F190-L194 WeakPolarHBondContact O-CB 3.29Å; F190-L194 PolarHBondContact O-N 2.88Å; E191-L194 WeakPolarHBondContact O-CB 3.44Å; E191-L194 PolarHBondContact O-N 3.5Å; L194-C198 VanDerWaalsContact O-CB 3.29Å; L194-C198 WeakPolarHBondContact O-CB 3.38Å; L194-C198 PolarHBondContact O-N 3.11Å; L194-C198 VanDerWaalsContact O-N 3.12Å; L194-C198 PolarHBondContact O-SG 3.33Å; L194-C198 VanDerWaalsContact O-SG 3.34Å; L194-V202 HydrophobicContact CD2-CB 4.35Å; L194-V202 HydrophobicContact CD2-CG1 3.47Å; L194-V202 VanDerWaalsContact CD2-CG1 3.47Å; L194-V202 HydrophobicContact CG-CG1 3.97Å; L194-L204 HydrophobicContact CD2-CB 4.21Å; L194-L204 HydrophobicContact CD2-CD1 4.32Å; L194-V229 HydrophobicContact CD1-CG1 4.21Å; L194-V229 HydrophobicContact CD1-CG2 4.45Å; L194-V229 HydrophobicContact CD2-CG1 3.9Å; L194-V229 HydrophobicContact CD2-CG2 4.33Å; L194-V240 HydrophobicContact CD1-CG1 4.12Å; L194-V240 HydrophobicContact CD1-CG2 4.25Å
195	W	90.4	Very high	89.7	Confident	175 Å²	175	82.1 Å²	82.1	66%	0.663	38%	0.379	S	S	*	.	H	α-helix	trans	-63	-45.3	178.9	-170.2	86	0	0	0	112.3	E191 M193 R199 G200	E191-W195 WeakPolarHBondContact O-CB 3.31Å; E191-W195 PolarHBondContact O-N 3.5Å; M193-W195 VanDerWaalsContact C-N 3.32Å; M193-W195 PolarHBondContact O-N 2.88Å; W195-R199 PolarHBondContact O-N 3.37Å; W195-R199 VanDerWaalsContact O-N 3.08Å; W195-G200 PolarHBondContact O-N 3.43Å; W195-G200 VanDerWaalsContact O-N 3.14Å
196	R	91.2	Very high	89.7	Confident	177 Å²	177	77.9 Å²	77.9	67%	0.668	36%	0.36	S	S	*	.	H	α-helix	trans	-66.6	-46.1	-179.3	-75.2	175.2	-177	-170.5	0.1	113.1	R192 M193	R192-R196 WeakPolarHBondContact O-CB 3.47Å; R192-R196 WeakPolarHBondContact O-CG 3.36Å; R192-R196 PolarHBondContact O-N 2.85Å; R192-R196 VanDerWaalsContact O-N 3.09Å; M193-R196 PolarHBondContact O-N 3.35Å
197	V	89	Confident	89.6	Confident	53 Å²	53	74 Å²	74	32%	0.321	35%	0.349	S	S	.	.	H	α-helix	trans	-72.5	-35.7	-176.1	175.7	0	0	0	0	111.5	M193 I243	M193-V197 HydrophobicContact CE-CG2 3.76Å; M193-V197 HydrophobicContact CG-CG2 4.26Å; M193-V197 WeakPolarHBondContact O-CG2 3.31Å; M193-V197 PolarHBondContact O-N 2.86Å; M193-V197 HydrophobicContact SD-CG2 4Å; V197-I243 HydrophobicContact CB-CD1 3.87Å; V197-I243 HydrophobicContact CG1-CD1 4.03Å; V197-I243 HydrophobicContact CG2-CD1 4.03Å
198	C	86.8	Confident	89.5	Confident	4 Å²	4	77.9 Å²	77.9	3%	0.027	37%	0.367	C	S	.	.	H	α-helix	trans	-95.1	3.3	-176	-52.1	0	0	0	0	113.6	L194 G200 N201 V202 L236	L194-C198 VanDerWaalsContact O-CB 3.29Å; L194-C198 WeakPolarHBondContact O-CB 3.38Å; L194-C198 PolarHBondContact O-N 3.11Å; L194-C198 VanDerWaalsContact O-N 3.12Å; L194-C198 PolarHBondContact O-SG 3.33Å; L194-C198 VanDerWaalsContact O-SG 3.34Å; C198-G200 PolarHBondContact O-N 3.48Å; C198-N201 VanDerWaalsContact O-CB 3.29Å; C198-N201 WeakPolarHBondContact O-CB 3.47Å; C198-N201 PolarHBondContact O-N 3.35Å; C198-V202 HydrophobicContact CB-CB 4.06Å; C198-V202 HydrophobicContact CB-CG2 3.41Å; C198-V202 VanDerWaalsContact CB-CG2 3.41Å; C198-L236 HydrophobicContact CB-CD2 3.83Å
199	R	86.4	Confident	89.2	Confident	221 Å²	221	75 Å²	75	83%	0.834	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	35.9	-179.3	-58.9	-175.4	175.2	176.5	-2.3	113.5	W195 N201	W195-R199 PolarHBondContact O-N 3.37Å; W195-R199 VanDerWaalsContact O-N 3.08Å; R199-N201 VanDerWaalsContact C-N 3.29Å; R199-N201 PolarHBondContact O-N 3.19Å
200	G	82.5	Confident	88.5	Confident	36 Å²	36	78.2 Å²	78.2	37%	0.371	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	5.6	-177.6	0	0	0	0	0	115.8	W195 C198 V202	W195-G200 PolarHBondContact O-N 3.43Å; W195-G200 VanDerWaalsContact O-N 3.14Å; C198-G200 PolarHBondContact O-N 3.48Å; G200-V202 PolarHBondContact O-N 3.36Å; G200-V202 VanDerWaalsContact O-N 3.16Å
201	N	84.6	Confident	87.9	Confident	114 Å²	114	83.8 Å²	83.8	61%	0.61	39%	0.39	S	S	*	.			trans	-79.2	12.2	179.7	-65	-17.8	0	0	0	114.4	C198 R199	C198-N201 VanDerWaalsContact O-CB 3.29Å; C198-N201 WeakPolarHBondContact O-CB 3.47Å; C198-N201 PolarHBondContact O-N 3.35Å; R199-N201 VanDerWaalsContact C-N 3.29Å; R199-N201 PolarHBondContact O-N 3.19Å
202	V	86.2	Confident	87.5	Confident	19 Å²	19	82.3 Å²	82.3	12%	0.115	39%	0.388	C	S	.	.			trans	-131.4	129.7	-172	173	0	0	0	0	108.5	L194 C198 G200 V229 F230 F231 L236 V240	L194-V202 HydrophobicContact CD2-CB 4.35Å; L194-V202 HydrophobicContact CD2-CG1 3.47Å; L194-V202 VanDerWaalsContact CD2-CG1 3.47Å; L194-V202 HydrophobicContact CG-CG1 3.97Å; C198-V202 HydrophobicContact CB-CB 4.06Å; C198-V202 HydrophobicContact CB-CG2 3.41Å; C198-V202 VanDerWaalsContact CB-CG2 3.41Å; G200-V202 PolarHBondContact O-N 3.36Å; G200-V202 VanDerWaalsContact O-N 3.16Å; V202-V229 HydrophobicContact CG1-CB 4.49Å; V202-V229 HydrophobicContact CG1-CG1 3.06Å; V202-F230 WeakPolarHBondContact CA-O 3.39Å; V202-F231 HydrophobicContact CG2-CB 4.07Å; V202-L236 HydrophobicContact CG2-CD2 4.19Å; V202-V240 HydrophobicContact CG2-CG2 4.37Å
203	F	87.7	Confident	86.8	Confident	127 Å²	127	76.4 Å²	76.4	56%	0.557	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.1	179.8	-170.9	-106.5	0	0	0	109.8	K205 V229 F230	F203-K205 HydrophobicContact CD1-CG 4.3Å; F203-K205 HydrophobicContact CE1-CD 4.36Å; F203-K205 HydrophobicContact CE1-CG 3.7Å; F203-V229 WeakPolarHBondContact O-CA 3.49Å; F203-F230 HydrophobicContact CB-CB 4.29Å; F203-F230 AromaticContact CD1-CD2 3.89Å; F203-F230 HydrophobicContact CD1-CD2 3.89Å; F203-F230 HydrophobicContact CD1-CE2 4.39Å; F203-F230 PolarHBondContact N-O 2.89Å; F203-F230 VanDerWaalsContact N-O 3.11Å; F203-F230 PolarHBondContact O-N 3.39Å
204	L	89.8	Confident	86	Confident	33 Å²	33	77.1 Å²	77.1	17%	0.173	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	123.3	-179.1	-179.8	73.3	0	0	0	109.2	F190 E191 L194 F227 L228 V229	F190-L204 HydrophobicContact CE1-CD1 4.15Å; E191-L204 HydrophobicContact CB-CD2 3.87Å; E191-L204 HydrophobicContact CG-CD2 3.75Å; L194-L204 HydrophobicContact CD2-CB 4.21Å; L194-L204 HydrophobicContact CD2-CD1 4.32Å; L204-F227 HydrophobicContact CD1-CB 3.95Å; L204-F227 HydrophobicContact CD1-CD2 4.3Å; L204-L228 CarbonylContact C-O 3.58Å; L204-L228 WeakPolarHBondContact CA-O 3.5Å; L204-V229 HydrophobicContact CD1-CG2 3.81Å
205	K	89.5	Confident	85.1	Confident	40 Å²	40	79 Å²	79	17%	0.174	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	142.1	161.9	-74.1	-159.6	173.2	-167.3	0	109.1	F138 E141 F203 F227 L228 F230	F138-K205 HydrophobicContact CB-CD 4.26Å; F138-K205 HydrophobicContact CD1-CB 4.17Å; F138-K205 HydrophobicContact CD1-CD 3.65Å; F138-K205 HydrophobicContact CE1-CB 4.01Å; F138-K205 HydrophobicContact CE1-CD 4.21Å; F138-K205 HydrophobicContact CG-CD 4.13Å; F138-K205 HydrophobicContact CZ-CB 4.26Å; E141-K205 IonicContact OE2-NZ 3.94Å; F203-K205 HydrophobicContact CD1-CG 4.3Å; F203-K205 HydrophobicContact CE1-CD 4.36Å; F203-K205 HydrophobicContact CE1-CG 3.7Å; K205-F227 CarbonylContact O-C 3.49Å; K205-F227 VanDerWaalsContact O-CA 3.28Å; K205-F227 WeakPolarHBondContact O-CA 3.03Å; K205-L228 HydrophobicContact CB-CB 4.42Å; K205-L228 PolarHBondContact N-O 3.22Å; K205-L228 PolarHBondContact O-N 2.87Å; K205-F230 HydrophobicContact CG-CE2 4.31Å
206	Q	90.4	Very high	84.1	Confident	91 Å²	91	73.8 Å²	73.8	43%	0.425	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	144.5	-179.3	67.4	-172.8	8.1	0	0	111.1	F138 V226	F138-Q206 VanDerWaalsContact CZ-C 3.49Å; Q206-V226 CarbonylContact C-O 3.5Å; Q206-V226 VanDerWaalsContact CA-O 3.32Å; Q206-V226 WeakPolarHBondContact CA-O 3.48Å
207	A	90	Very high	83	Confident	19 Å²	19	71.3 Å²	71.3	16%	0.157	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	139.5	174.9	0	0	0	0	0	110	K134 F138 S225 V226	K134-A207 HydrophobicContact CB-CB 4.28Å; K134-A207 HydrophobicContact CD-CB 4.03Å; K134-A207 HydrophobicContact CG-CB 4.29Å; F138-A207 HydrophobicContact CE1-CB 4.26Å; F138-A207 HydrophobicContact CE2-CB 3.85Å; F138-A207 HydrophobicContact CZ-CB 3.34Å; A207-S225 CarbonylContact O-C 3.5Å; A207-S225 WeakPolarHBondContact O-CA 3.32Å; A207-V226 PolarHBondContact N-O 3.44Å; A207-V226 PolarHBondContact O-N 3.45Å
208	E	88.3	Confident	82.1	Confident	94 Å²	94	72.9 Å²	72.9	44%	0.439	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	145.3	176.4	-59	-169.7	162	0	0	110.9	K134 R184	K134-E208 WeakPolarHBondContact CE-O 3.14Å; K134-E208 PolarHBondContact NZ-O 3.48Å; R184-E208 IonicContact CZ-OE1 3.36Å; R184-E208 IonicContact CZ-OE2 2.57Å; R184-E208 IonicContact NE-OE1 3.26Å; R184-E208 PolarHBondContact NE-OE1 2.92Å; R184-E208 IonicContact NE-OE2 2.73Å; R184-E208 VanDerWaalsContact NH2-CD 3.26Å; R184-E208 IonicContact NH2-OE1 3.84Å; R184-E208 PolarHBondContact NH2-OE1 3.49Å; R184-E208 IonicContact NH2-OE2 3.18Å; R184-E208 PolarHBondContact NH2-OE2 3.41Å
209	V	86	Confident	81.3	Confident	12 Å²	12	74.7 Å²	74.7	7%	0.073	40%	0.399	C	S	.	.			trans	-86.6	120.4	170.2	-177.1	0	0	0	0	108	Q130 D211 K224 V226	Q130-V209 HydrophobicContact CG-CB 4.18Å; Q130-V209 HydrophobicContact CG-CG1 3.73Å; Q130-V209 HydrophobicContact CG-CG2 3.56Å; V209-D211 WeakPolarHBondContact CG1-O 3.38Å; V209-K224 VanDerWaalsContact CB-O 3.3Å; V209-K224 WeakPolarHBondContact CB-O 3.45Å; V209-K224 VanDerWaalsContact CG2-O 3.31Å; V209-K224 WeakPolarHBondContact CG2-O 3.33Å; V209-K224 PolarHBondContact N-O 2.65Å; V209-K224 VanDerWaalsContact N-O 3.17Å; V209-V226 HydrophobicContact CG2-CG2 3.97Å
210	D	80.2	Confident	80.9	Confident	102 Å²	102	69.9 Å²	69.9	55%	0.545	39%	0.387	S	S	.	.	S	Bend	trans	-66.2	-40.4	-173.2	-52.9	-57.4	0	0	0	111.4	K134	K134-D210 IonicContact NZ-OD1 3.03Å; K134-D210 IonicContact NZ-OD2 2.67Å; K134-D210 PolarHBondContact NZ-OD2 3.39Å
211	D	81.5	Confident	80.9	Confident	117 Å²	117	72.1 Å²	72.1	63%	0.626	40%	0.395	S	S	*	.	S	Bend	trans	-94.9	125.2	179.7	-59.3	-43.6	0	0	0	111.3	V209	V209-D211 WeakPolarHBondContact CG1-O 3.38Å
212	P	81.5	Confident	80.9	Confident	61 Å²	61	68.3 Å²	68.3	40%	0.396	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-65.8	138.2	175.1	27.6	-32.8	0	0	0	110.5	P221	P212-P221 HydrophobicContact CB-CB 3.84Å; P212-P221 HydrophobicContact CG-CB 4.15Å
213	L	77.8	Confident	81	Confident	21 Å²	21	72.1 Å²	72.1	11%	0.11	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	137.3	177.8	-66.7	168.2	0	0	0	109.3	L123 E127 D215 V222 K224	L123-L213 HydrophobicContact CD1-CB 3.85Å; L123-L213 HydrophobicContact CD1-CD1 4.3Å; L123-L213 HydrophobicContact CD1-CD2 4.3Å; L123-L213 HydrophobicContact CD1-CG 4.38Å; E127-L213 HydrophobicContact CG-CD1 3.95Å; L213-D215 PolarHBondContact O-N 3Å; L213-V222 PolarHBondContact N-O 3.44Å; L213-V222 PolarHBondContact O-N 2.99Å; L213-K224 HydrophobicContact CD1-CD 4.06Å
214	E	76.1	Confident	81.2	Confident	99 Å²	99	67.4 Å²	67.4	46%	0.463	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	126	176.2	-168.8	-174.7	158.7	0	0	109.6	K119	K119-E214 IonicContact NZ-OE1 3.48Å; K119-E214 PolarHBondContact NZ-OE1 3.15Å
215	D	70.9	Confident	81.2	Confident	44 Å²	44	65.9 Å²	65.9	24%	0.235	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-78.4	132	171.6	173.9	43.1	0	0	0	110.8	L213 T217 T218 G219 M220 V222	L213-D215 PolarHBondContact O-N 3Å; D215-T217 PolarHBondContact O-N 2.91Å; D215-T217 PolarHBondContact OD2-OG1 3.41Å; D215-T218 WeakPolarHBondContact CB-OG1 3.41Å; D215-T218 PolarHBondContact O-N 2.9Å; D215-T218 PolarHBondContact OD2-N 3.1Å; D215-T218 PolarHBondContact OD2-OG1 3.29Å; D215-G219 WeakPolarHBondContact O-CA 3.44Å; D215-G219 PolarHBondContact O-N 3.34Å; D215-M220 PolarHBondContact N-O 3.35Å; D215-V222 HydrophobicContact CB-CB 4.49Å; D215-V222 HydrophobicContact CB-CG2 3.56Å
216	L	69.2	Low	81.3	Confident	65 Å²	65	64 Å²	64	34%	0.34	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-28.9	-172.6	-63.5	166.1	0	0	0	112.8	K119 K120 L123	K119-L216 HydrophobicContact CB-CD2 3.73Å; K120-L216 HydrophobicContact CB-CD1 3.72Å; K120-L216 HydrophobicContact CB-CD2 4.49Å; K120-L216 HydrophobicContact CD-CD1 4.49Å; K120-L216 HydrophobicContact CG-CD1 3.74Å; L123-L216 HydrophobicContact CD2-CD1 3.95Å; L123-L216 HydrophobicContact CD2-CG 3.89Å
217	T	68.7	Low	81.4	Confident	126 Å²	126	59.7 Å²	59.7	77%	0.773	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-36	-175.3	64.4	0	0	0	0	113	D215	D215-T217 PolarHBondContact O-N 2.91Å; D215-T217 PolarHBondContact OD2-OG1 3.41Å
218	T	70.3	Confident	81.4	Confident	85 Å²	85	58.8 Å²	58.8	52%	0.521	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-20.7	-173.7	55.8	0	0	0	0	113.2	D215 M220	D215-T218 WeakPolarHBondContact CB-OG1 3.41Å; D215-T218 PolarHBondContact O-N 2.9Å; D215-T218 PolarHBondContact OD2-N 3.1Å; D215-T218 PolarHBondContact OD2-OG1 3.29Å; T218-M220 PolarHBondContact O-N 3.41Å; T218-M220 PolarHBondContact OG1-N 3.03Å
219	G	70.6	Confident	81.5	Confident	43 Å²	43	54.3 Å²	54.3	44%	0.443	31%	0.307	S	S	.	.			trans	65.2	9.8	-170.2	0	0	0	0	0	113.2	D215	D215-G219 WeakPolarHBondContact O-CA 3.44Å; D215-G219 PolarHBondContact O-N 3.34Å
220	M	77.6	Confident	81.6	Confident	119 Å²	119	55.9 Å²	55.9	59%	0.586	31%	0.313	S	S	*	.			trans	-90.6	146.4	-178.8	-68.2	-71.2	-71.4	0	0	110.1	D215 T218 V222	D215-M220 PolarHBondContact N-O 3.35Å; T218-M220 PolarHBondContact O-N 3.41Å; T218-M220 PolarHBondContact OG1-N 3.03Å; M220-V222 PolarHBondContact O-N 2.95Å
221	P	82	Confident	82	Confident	83 Å²	83	51.2 Å²	51.2	54%	0.539	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	123.8	172.1	27.6	-32.3	0	0	0	109.9	P212	P212-P221 HydrophobicContact CB-CB 3.84Å; P212-P221 HydrophobicContact CG-CB 4.15Å
222	V	84.5	Confident	82.2	Confident	34 Å²	34	50.2 Å²	50.2	21%	0.206	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	131.4	-178.7	-176.3	0	0	0	0	110.5	L183 L213 D215 M220	L183-V222 HydrophobicContact CD2-CG1 3.2Å; L213-V222 PolarHBondContact N-O 3.44Å; L213-V222 PolarHBondContact O-N 2.99Å; D215-V222 HydrophobicContact CB-CB 4.49Å; D215-V222 HydrophobicContact CB-CG2 3.56Å; M220-V222 PolarHBondContact O-N 2.95Å
223	H	89.3	Confident	82.4	Confident	99 Å²	99	49.1 Å²	49.1	46%	0.458	28%	0.279	S	S	.	.			trans	-84.6	122.1	176.8	-67.2	-76.6	0	0	0	111.3	R184	R184-H223 HydrophobicContact CB-CB 4.36Å; R184-H223 PolarHBondContact N-O 2.91Å; R184-H223 VanDerWaalsContact N-O 3.1Å
224	K	90.3	Very high	82.7	Confident	29 Å²	29	53.5 Å²	53.5	13%	0.126	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	157.5	178.2	-64.2	-173.3	-179.9	172.8	0	110.5	E127 I181 I182 L183 V209 L213	E127-K224 IonicContact OE1-NZ 2.7Å; E127-K224 PolarHBondContact OE1-NZ 3.42Å; I181-K224 HydrophobicContact CG2-CB 3.7Å; I181-K224 HydrophobicContact CG2-CD 3.72Å; I181-K224 HydrophobicContact CG2-CG 4.19Å; I182-K224 CarbonylContact O-C 3.54Å; I182-K224 WeakPolarHBondContact O-CA 3.2Å; L183-K224 HydrophobicContact CD2-CG 4.31Å; V209-K224 VanDerWaalsContact CB-O 3.3Å; V209-K224 WeakPolarHBondContact CB-O 3.45Å; V209-K224 VanDerWaalsContact CG2-O 3.31Å; V209-K224 WeakPolarHBondContact CG2-O 3.33Å; V209-K224 PolarHBondContact N-O 2.65Å; V209-K224 VanDerWaalsContact N-O 3.17Å; L213-K224 HydrophobicContact CD1-CD 4.06Å
225	S	90.9	Very high	83.2	Confident	1 Å²	1	56 Å²	56	1%	0.007	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	135.9	177.6	-57.9	0	0	0	0	109.1	I181 I182 A207	I181-S225 WeakPolarHBondContact CA-O 3.23Å; I182-S225 PolarHBondContact N-O 3.4Å; I182-S225 PolarHBondContact O-N 2.92Å; A207-S225 CarbonylContact O-C 3.5Å; A207-S225 WeakPolarHBondContact O-CA 3.32Å
226	V	92	Very high	84	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	138.6	172.4	177	0	0	0	0	108.4	Q130 I131 G180 I181 Q206 A207 V209 L228	Q130-V226 HydrophobicContact CG-CG2 4.05Å; I131-V226 HydrophobicContact CG1-CG1 4.09Å; I131-V226 HydrophobicContact CG1-CG2 4.18Å; G180-V226 WeakPolarHBondContact O-CA 2.87Å; I181-V226 HydrophobicContact CD1-CG2 4.21Å; I181-V226 HydrophobicContact CG1-CB 4.47Å; I181-V226 HydrophobicContact CG1-CG2 3.79Å; Q206-V226 CarbonylContact C-O 3.5Å; Q206-V226 VanDerWaalsContact CA-O 3.32Å; Q206-V226 WeakPolarHBondContact CA-O 3.48Å; A207-V226 PolarHBondContact N-O 3.44Å; A207-V226 PolarHBondContact O-N 3.45Å; V209-V226 HydrophobicContact CG2-CG2 3.97Å; V226-L228 HydrophobicContact CG1-CD1 4.16Å
227	F	92.1	Very high	84.9	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	146.7	174.2	67.9	-91.5	0	0	0	111.6	A179 G180 I182 F190 L204 K205 V229 A249 L251	A179-F227 WeakPolarHBondContact CA-O 3.46Å; G180-F227 PolarHBondContact N-O 3.17Å; G180-F227 VanDerWaalsContact O-CD1 3.27Å; G180-F227 WeakPolarHBondContact O-CD1 3.35Å; G180-F227 PolarHBondContact O-N 2.87Å; I182-F227 HydrophobicContact CB-CD1 4.12Å; I182-F227 HydrophobicContact CB-CE1 3.99Å; I182-F227 HydrophobicContact CG2-CD1 3.84Å; I182-F227 HydrophobicContact CG2-CE1 4.22Å; F190-F227 HydrophobicContact CE1-CD1 4.45Å; F190-F227 AromaticContact CE1-CD2 3.86Å; F190-F227 HydrophobicContact CE1-CD2 3.86Å; F190-F227 HydrophobicContact CE1-CE2 4Å; F190-F227 HydrophobicContact CE1-CG 4.1Å; F190-F227 HydrophobicContact CE1-CZ 4.36Å; F190-F227 HydrophobicContact CZ-CD2 4.09Å; F190-F227 AromaticContact CZ-CE2 3.75Å; F190-F227 HydrophobicContact CZ-CE2 3.75Å; F190-F227 HydrophobicContact CZ-CZ 4.02Å; L204-F227 HydrophobicContact CD1-CB 3.95Å; L204-F227 HydrophobicContact CD1-CD2 4.3Å; K205-F227 CarbonylContact O-C 3.49Å; K205-F227 VanDerWaalsContact O-CA 3.28Å; K205-F227 WeakPolarHBondContact O-CA 3.03Å; F227-V229 HydrophobicContact CD2-CG2 3.66Å; F227-V229 HydrophobicContact CE2-CG2 3.9Å; F227-A249 HydrophobicContact CE1-CB 3.74Å; F227-A249 HydrophobicContact CZ-CB 3.76Å; F227-L251 HydrophobicContact CZ-CD2 4.47Å
228	L	90	Very high	85.8	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127.7	170.8	-82.6	79.2	0	0	0	109.3	T135 F138 F139 F177 L178 A179 L204 K205 V226 F230	T135-L228 HydrophobicContact CG2-CD2 3.83Å; F138-L228 HydrophobicContact CD2-CD1 3.54Å; F138-L228 HydrophobicContact CD2-CD2 4.38Å; F138-L228 HydrophobicContact CE2-CD1 3.69Å; F139-L228 HydrophobicContact CE2-CD2 4.43Å; F177-L228 HydrophobicContact CD2-CD2 4.41Å; L178-L228 WeakPolarHBondContact O-CA 3.38Å; A179-L228 HydrophobicContact CB-CG 4.27Å; L204-L228 CarbonylContact C-O 3.58Å; L204-L228 WeakPolarHBondContact CA-O 3.5Å; K205-L228 HydrophobicContact CB-CB 4.42Å; K205-L228 PolarHBondContact N-O 3.22Å; K205-L228 PolarHBondContact O-N 2.87Å; V226-L228 HydrophobicContact CG1-CD1 4.16Å; L228-F230 HydrophobicContact CB-CE2 4.05Å; L228-F230 HydrophobicContact CB-CZ 4.39Å; L228-F230 HydrophobicContact CD2-CZ 4.09Å
229	V	90.4	Very high	86.8	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	115	179.2	-171.3	0	0	0	0	109.9	F177 L178 L194 V202 F203 L204 F227 F231 V240	F177-V229 CarbonylContact C-O 3.52Å; F177-V229 WeakPolarHBondContact CA-O 3.27Å; L178-V229 PolarHBondContact N-O 3.12Å; L178-V229 PolarHBondContact O-N 2.95Å; L194-V229 HydrophobicContact CD1-CG1 4.21Å; L194-V229 HydrophobicContact CD1-CG2 4.45Å; L194-V229 HydrophobicContact CD2-CG1 3.9Å; L194-V229 HydrophobicContact CD2-CG2 4.33Å; V202-V229 HydrophobicContact CG1-CB 4.49Å; V202-V229 HydrophobicContact CG1-CG1 3.06Å; F203-V229 WeakPolarHBondContact O-CA 3.49Å; L204-V229 HydrophobicContact CD1-CG2 3.81Å; F227-V229 HydrophobicContact CD2-CG2 3.66Å; F227-V229 HydrophobicContact CE2-CG2 3.9Å; V229-F231 HydrophobicContact CG1-CD1 4.15Å; V229-V240 HydrophobicContact CB-CG1 4.21Å; V229-V240 HydrophobicContact CG1-CG1 3.83Å; V229-V240 HydrophobicContact CG1-CG2 4.33Å; V229-V240 HydrophobicContact CG2-CG1 4.39Å
230	F	88.8	Confident	87.7	Confident	45 Å²	45	55.1 Å²	55.1	20%	0.197	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	131.1	175.6	-58.2	-91.5	0	0	0	110.6	V175 F177 V202 F203 K205 L228	V175-F230 HydrophobicContact CG1-CB 4.18Å; V175-F230 HydrophobicContact CG1-CD1 4.24Å; F177-F230 HydrophobicContact CB-CD1 3.61Å; F177-F230 HydrophobicContact CB-CE1 3.8Å; F177-F230 HydrophobicContact CB-CG 4.26Å; F177-F230 HydrophobicContact CD1-CE1 4.38Å; F177-F230 HydrophobicContact CG-CD1 4.43Å; F177-F230 HydrophobicContact CG-CE1 4.19Å; V202-F230 WeakPolarHBondContact CA-O 3.39Å; F203-F230 HydrophobicContact CB-CB 4.29Å; F203-F230 AromaticContact CD1-CD2 3.89Å; F203-F230 HydrophobicContact CD1-CD2 3.89Å; F203-F230 HydrophobicContact CD1-CE2 4.39Å; F203-F230 PolarHBondContact N-O 2.89Å; F203-F230 VanDerWaalsContact N-O 3.11Å; F203-F230 PolarHBondContact O-N 3.39Å; K205-F230 HydrophobicContact CG-CE2 4.31Å; L228-F230 HydrophobicContact CB-CE2 4.05Å; L228-F230 HydrophobicContact CB-CZ 4.39Å; L228-F230 HydrophobicContact CD2-CZ 4.09Å
231	F	88.4	Confident	88.4	Confident	5 Å²	5	54.7 Å²	54.7	2%	0.022	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	162.4	179.3	53.1	-92.9	0	0	0	111.3	E176 L178 V202 V229 L236 R237 V240	E176-F231 HydrophobicContact CB-CD2 4.31Å; E176-F231 HydrophobicContact CB-CE2 3.69Å; E176-F231 HydrophobicContact CB-CZ 4.11Å; E176-F231 PolarHBondContact N-O 3.35Å; E176-F231 VanDerWaalsContact N-O 3.13Å; E176-F231 PolarHBondContact O-N 2.92Å; E176-F231 VanDerWaalsContact O-O 3.07Å; L178-F231 HydrophobicContact CB-CE1 4.03Å; L178-F231 HydrophobicContact CD1-CE1 3.57Å; L178-F231 HydrophobicContact CD1-CZ 3.78Å; L178-F231 HydrophobicContact CG-CE1 3.58Å; L178-F231 HydrophobicContact CG-CZ 3.73Å; V202-F231 HydrophobicContact CG2-CB 4.07Å; V229-F231 HydrophobicContact CG1-CD1 4.15Å; F231-L236 HydrophobicContact CB-CB 4.27Å; F231-R237 HydrophobicContact CD2-CB 4.08Å; F231-R237 HydrophobicContact CE2-CB 3.39Å; F231-R237 HydrophobicContact CE2-CG 3.73Å; F231-R237 HydrophobicContact CZ-CB 3.9Å; F231-R237 HydrophobicContact CZ-CG 3.78Å; F231-V240 HydrophobicContact CD1-CG2 4.29Å; F231-V240 HydrophobicContact CE1-CG1 4.49Å
232	Q	85.7	Confident	88.9	Confident	96 Å²	96	57.7 Å²	57.7	45%	0.449	28%	0.277	S	S	.	.			trans	-121.5	117.5	175.8	-165.6	-172.4	-20.2	0	0	110.2	R173 L236	R173-Q232 VanDerWaalsContact CG-NE2 3.35Å; Q232-L236 WeakPolarHBondContact O-CD1 3.48Å
233	G	84.4	Confident	89.2	Confident	38 Å²	38	56.9 Å²	56.9	39%	0.392	27%	0.271	S	S	.	.	S	Bend	trans	106.3	146.1	172.9	0	0	0	0	0	116	Q235 L236 R237	G233-Q235 VanDerWaalsContact C-N 3.35Å; G233-Q235 PolarHBondContact O-N 3.43Å; G233-L236 PolarHBondContact O-N 3.25Å; G233-R237 PolarHBondContact O-N 3.04Å
234	D	85	Confident	89.4	Confident	113 Å²	113	52.1 Å²	52.1	60%	0.604	25%	0.249	S	C	*	.	H	α-helix	trans	-63.8	-32.5	-171.6	-63.3	-40.4	0	0	0	114.7	R237 T238	D234-R237 WeakPolarHBondContact O-CB 3.44Å; D234-R237 PolarHBondContact O-N 2.91Å; D234-T238 PolarHBondContact O-N 3.49Å; D234-T238 VanDerWaalsContact O-N 3.11Å; D234-T238 PolarHBondContact O-OG1 2.84Å
235	Q	86	Confident	89.4	Confident	150 Å²	150	55 Å²	55	70%	0.701	27%	0.266	S	S	*	.	H	α-helix	trans	-67.4	-38.7	178	-65.7	-171.8	11.2	0	0	111.6	G233 R239	G233-Q235 VanDerWaalsContact C-N 3.35Å; G233-Q235 PolarHBondContact O-N 3.43Å; Q235-R239 WeakPolarHBondContact O-CG 3.31Å; Q235-R239 PolarHBondContact O-N 3.33Å
236	L	87.5	Confident	89.5	Confident	30 Å²	30	57.7 Å²	57.7	16%	0.157	29%	0.293	C	S	.	.	H	α-helix	trans	-69.1	-42.8	176.2	-85.1	160.7	0	0	0	110.4	C198 V202 F231 Q232 G233 T238 R239 V240	C198-L236 HydrophobicContact CB-CD2 3.83Å; V202-L236 HydrophobicContact CG2-CD2 4.19Å; F231-L236 HydrophobicContact CB-CB 4.27Å; Q232-L236 WeakPolarHBondContact O-CD1 3.48Å; G233-L236 PolarHBondContact O-N 3.25Å; L236-T238 VanDerWaalsContact C-N 3.31Å; L236-T238 PolarHBondContact O-N 2.71Å; L236-R239 PolarHBondContact O-N 2.92Å; L236-R239 VanDerWaalsContact O-N 3.09Å; L236-V240 WeakPolarHBondContact O-CG2 3.38Å; L236-V240 PolarHBondContact O-N 3Å
237	R	87.8	Confident	89.5	Confident	112 Å²	112	60 Å²	60	42%	0.423	30%	0.304	S	S	.	.	H	α-helix	trans	-50.7	-50.2	173.4	-174.9	176.9	177.8	164.4	-6.9	112.5	E176 F231 G233 D234 R239 V240 K241	E176-R237 IonicContact OE1-NH1 3.6Å; E176-R237 WeakPolarHBondContact OE2-CD 3.46Å; E176-R237 IonicContact OE2-CZ 3.76Å; E176-R237 IonicContact OE2-NE 3.89Å; E176-R237 IonicContact OE2-NH1 2.98Å; E176-R237 PolarHBondContact OE2-NH1 3.29Å; F231-R237 HydrophobicContact CD2-CB 4.08Å; F231-R237 HydrophobicContact CE2-CB 3.39Å; F231-R237 HydrophobicContact CE2-CG 3.73Å; F231-R237 HydrophobicContact CZ-CB 3.9Å; F231-R237 HydrophobicContact CZ-CG 3.78Å; G233-R237 PolarHBondContact O-N 3.04Å; D234-R237 WeakPolarHBondContact O-CB 3.44Å; D234-R237 PolarHBondContact O-N 2.91Å; R237-R239 VanDerWaalsContact C-N 3.32Å; R237-R239 PolarHBondContact O-N 3.19Å; R237-V240 PolarHBondContact O-N 3.45Å; R237-K241 WeakPolarHBondContact O-CB 3.42Å; R237-K241 PolarHBondContact O-N 2.95Å
238	T	89.2	Confident	89.4	Confident	78 Å²	78	67 Å²	67	48%	0.479	34%	0.336	S	S	.	.	H	α-helix	trans	-65	-36.2	-178.6	-54.1	0	0	0	0	111.8	D234 L236 K242	D234-T238 PolarHBondContact O-N 3.49Å; D234-T238 VanDerWaalsContact O-N 3.11Å; D234-T238 PolarHBondContact O-OG1 2.84Å; L236-T238 VanDerWaalsContact C-N 3.31Å; L236-T238 PolarHBondContact O-N 2.71Å; T238-K242 VanDerWaalsContact O-CG 3.31Å; T238-K242 WeakPolarHBondContact O-CG 3.36Å; T238-K242 PolarHBondContact O-N 3.46Å
239	R	89.8	Confident	89.3	Confident	125 Å²	125	67.3 Å²	67.3	47%	0.472	34%	0.339	S	S	.	.	H	α-helix	trans	-71	-46.7	176.2	-70.7	178.8	-169.4	-177.8	6.1	112	Q235 L236 R237 K241 K242 I243	Q235-R239 WeakPolarHBondContact O-CG 3.31Å; Q235-R239 PolarHBondContact O-N 3.33Å; L236-R239 PolarHBondContact O-N 2.92Å; L236-R239 VanDerWaalsContact O-N 3.09Å; R237-R239 VanDerWaalsContact C-N 3.32Å; R237-R239 PolarHBondContact O-N 3.19Å; R239-K241 VanDerWaalsContact C-N 3.35Å; R239-K241 PolarHBondContact O-N 3.02Å; R239-K242 PolarHBondContact O-N 3.43Å; R239-I243 WeakPolarHBondContact O-CG1 3.43Å; R239-I243 PolarHBondContact O-N 2.87Å; R239-I243 VanDerWaalsContact O-N 3.08Å
240	V	91.2	Very high	89.3	Confident	0 Å²	0	70 Å²	70	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-59.4	-47	177.7	170.7	0	0	0	0	110.1	L178 L194 V202 V229 F231 L236 R237 K242 I243 C244	L178-V240 HydrophobicContact CD1-CB 4.34Å; L178-V240 HydrophobicContact CD1-CG1 3.79Å; L194-V240 HydrophobicContact CD1-CG1 4.12Å; L194-V240 HydrophobicContact CD1-CG2 4.25Å; V202-V240 HydrophobicContact CG2-CG2 4.37Å; V229-V240 HydrophobicContact CB-CG1 4.21Å; V229-V240 HydrophobicContact CG1-CG1 3.83Å; V229-V240 HydrophobicContact CG1-CG2 4.33Å; V229-V240 HydrophobicContact CG2-CG1 4.39Å; F231-V240 HydrophobicContact CD1-CG2 4.29Å; F231-V240 HydrophobicContact CE1-CG1 4.49Å; L236-V240 WeakPolarHBondContact O-CG2 3.38Å; L236-V240 PolarHBondContact O-N 3Å; R237-V240 PolarHBondContact O-N 3.45Å; V240-K242 VanDerWaalsContact C-N 3.34Å; V240-K242 PolarHBondContact O-N 3.46Å; V240-I243 WeakPolarHBondContact O-CB 3.45Å; V240-I243 PolarHBondContact O-N 3.14Å; V240-C244 PolarHBondContact O-N 3.05Å; V240-C244 PolarHBondContact O-SG 3.28Å
241	K	91.6	Very high	89.4	Confident	110 Å²	110	70.2 Å²	70.2	48%	0.478	36%	0.358	S	S	.	.	H	α-helix	trans	-56.5	-45.5	177.3	-169.2	176.5	-178.2	-179.1	0	112.4	R237 R239 I243 C244 D245 L251	R237-K241 WeakPolarHBondContact O-CB 3.42Å; R237-K241 PolarHBondContact O-N 2.95Å; R239-K241 VanDerWaalsContact C-N 3.35Å; R239-K241 PolarHBondContact O-N 3.02Å; K241-I243 VanDerWaalsContact C-N 3.3Å; K241-I243 PolarHBondContact O-N 3.34Å; K241-C244 WeakPolarHBondContact O-CB 3.26Å; K241-C244 PolarHBondContact O-N 3.15Å; K241-D245 VanDerWaalsContact O-CG 3.31Å; K241-D245 PolarHBondContact O-N 3.48Å; K241-L251 HydrophobicContact CG-CD1 3.87Å
242	K	91.4	Very high	89.5	Confident	147 Å²	147	71.9 Å²	71.9	64%	0.639	36%	0.364	S	S	*	.	H	α-helix	trans	-61.8	-35	175.8	-73.7	177.5	-179	-173.9	0	113.2	T238 R239 V240 G246	T238-K242 VanDerWaalsContact O-CG 3.31Å; T238-K242 WeakPolarHBondContact O-CG 3.36Å; T238-K242 PolarHBondContact O-N 3.46Å; R239-K242 PolarHBondContact O-N 3.43Å; V240-K242 VanDerWaalsContact C-N 3.34Å; V240-K242 PolarHBondContact O-N 3.46Å; K242-G246 PolarHBondContact O-N 2.92Å
243	I	92.3	Very high	89.4	Confident	16 Å²	16	72.1 Å²	72.1	8%	0.082	37%	0.374	C	S	.	.	H	α-helix	trans	-68.4	-45.7	175.1	-63.8	167	0	0	0	109.6	F190 M193 V197 R239 V240 K241 D245 G246 F247	F190-I243 HydrophobicContact CD2-CG2 4.04Å; F190-I243 HydrophobicContact CE2-CG2 3.89Å; M193-I243 HydrophobicContact CB-CG2 4.39Å; M193-I243 HydrophobicContact CG-CD1 4.48Å; M193-I243 HydrophobicContact CG-CG1 4.5Å; M193-I243 HydrophobicContact CG-CG2 4.05Å; V197-I243 HydrophobicContact CB-CD1 3.87Å; V197-I243 HydrophobicContact CG1-CD1 4.03Å; V197-I243 HydrophobicContact CG2-CD1 4.03Å; R239-I243 WeakPolarHBondContact O-CG1 3.43Å; R239-I243 PolarHBondContact O-N 2.87Å; R239-I243 VanDerWaalsContact O-N 3.08Å; V240-I243 WeakPolarHBondContact O-CB 3.45Å; V240-I243 PolarHBondContact O-N 3.14Å; K241-I243 VanDerWaalsContact C-N 3.3Å; K241-I243 PolarHBondContact O-N 3.34Å; I243-D245 PolarHBondContact O-N 3.37Å; I243-G246 PolarHBondContact O-N 2.94Å; I243-F247 HydrophobicContact CG2-CD2 3.82Å; I243-F247 HydrophobicContact CG2-CE2 3.93Å; I243-F247 WeakPolarHBondContact O-CD2 3.47Å; I243-F247 PolarHBondContact O-N 3.17Å
244	C	92.2	Very high	89.4	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-57	-48.4	176.2	-61.8	0	0	0	0	111.7	V240 K241 G246 F247 H248 A249 L251	V240-C244 PolarHBondContact O-N 3.05Å; V240-C244 PolarHBondContact O-SG 3.28Å; K241-C244 WeakPolarHBondContact O-CB 3.26Å; K241-C244 PolarHBondContact O-N 3.15Å; C244-G246 VanDerWaalsContact C-N 3.31Å; C244-G246 PolarHBondContact O-N 3.39Å; C244-F247 PolarHBondContact O-N 3.29Å; C244-H248 PolarHBondContact O-N 3.17Å; C244-A249 HydrophobicContact CB-CB 4.22Å; C244-A249 WeakPolarHBondContact O-CB 3.44Å; C244-A249 PolarHBondContact O-N 3.13Å; C244-L251 HydrophobicContact CB-CD1 3.87Å; C244-L251 HydrophobicContact CB-CD2 4.05Å; C244-L251 HydrophobicContact CB-CG 4.07Å
245	D	91.6	Very high	89.3	Confident	90 Å²	90	67.1 Å²	67.1	48%	0.481	34%	0.342	S	S	.	.	H	α-helix	trans	-61.2	-40.4	177.3	-64.8	-22.7	0	0	0	111.3	K241 I243 F247 H248	K241-D245 VanDerWaalsContact O-CG 3.31Å; K241-D245 PolarHBondContact O-N 3.48Å; I243-D245 PolarHBondContact O-N 3.37Å; D245-F247 PolarHBondContact O-N 2.89Å; D245-H248 PolarHBondContact O-N 3.13Å
246	G	92.2	Very high	89	Confident	57 Å²	57	64.8 Å²	64.8	59%	0.588	33%	0.334	S	S	*	.	H	α-helix	trans	-67.5	-29.1	178.9	0	0	0	0	0	115	K242 I243 C244 H248	K242-G246 PolarHBondContact O-N 2.92Å; I243-G246 PolarHBondContact O-N 2.94Å; C244-G246 VanDerWaalsContact C-N 3.31Å; C244-G246 PolarHBondContact O-N 3.39Å; G246-H248 VanDerWaalsContact C-N 3.32Å
247	F	91.6	Very high	88.7	Confident	49 Å²	49	65.8 Å²	65.8	22%	0.215	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	0.9	174.4	-82.3	-87.3	0	0	0	113.5	I182 R186 A189 F190 M193 I243 C244 D245 A249	I182-F247 HydrophobicContact CD1-CB 3.98Å; R186-F247 PolarHBondContact NH1-O 3.41Å; A189-F247 HydrophobicContact CB-CE1 3.81Å; A189-F247 HydrophobicContact CB-CZ 4.33Å; F190-F247 HydrophobicContact CB-CD1 4.23Å; F190-F247 HydrophobicContact CB-CD2 4.49Å; F190-F247 HydrophobicContact CB-CE1 4.41Å; F190-F247 HydrophobicContact CB-CG 4.27Å; F190-F247 HydrophobicContact CD2-CB 4.05Å; F190-F247 AromaticContact CD2-CD2 3.75Å; F190-F247 HydrophobicContact CD2-CD2 3.75Å; F190-F247 HydrophobicContact CD2-CE2 4.37Å; F190-F247 AromaticContact CD2-CG 3.91Å; F190-F247 HydrophobicContact CD2-CG 3.91Å; M193-F247 HydrophobicContact CB-CE2 3.77Å; M193-F247 HydrophobicContact CB-CZ 3.99Å; M193-F247 HydrophobicContact CG-CE2 3.93Å; M193-F247 HydrophobicContact CG-CZ 4.45Å; I243-F247 HydrophobicContact CG2-CD2 3.82Å; I243-F247 HydrophobicContact CG2-CE2 3.93Å; I243-F247 WeakPolarHBondContact O-CD2 3.47Å; I243-F247 PolarHBondContact O-N 3.17Å; C244-F247 PolarHBondContact O-N 3.29Å; D245-F247 PolarHBondContact O-N 2.89Å; F247-A249 VanDerWaalsContact C-N 3.34Å
248	H	89.5	Confident	88.5	Confident	145 Å²	145	65.6 Å²	65.6	67%	0.671	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	40.3	-171.9	-54.1	-84.7	0	0	0	113	R186 C244 D245 G246	R186-H248 PolarHBondContact NH1-CD2 3.25Å; R186-H248 VanDerWaalsContact NH1-CD2 3.27Å; C244-H248 PolarHBondContact O-N 3.17Å; D245-H248 PolarHBondContact O-N 3.13Å; G246-H248 VanDerWaalsContact C-N 3.32Å
249	A	89.9	Confident	88.3	Confident	8 Å²	8	64.6 Å²	64.6	7%	0.066	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-82	135.6	170.7	0	0	0	0	0	110.6	I181 I182 F227 C244 F247	I181-A249 VanDerWaalsContact O-CA 3.31Å; I181-A249 WeakPolarHBondContact O-CA 3.47Å; I182-A249 HydrophobicContact CB-CB 4.28Å; I182-A249 HydrophobicContact CD1-CB 4.46Å; I182-A249 HydrophobicContact CG1-CB 4.4Å; F227-A249 HydrophobicContact CE1-CB 3.74Å; F227-A249 HydrophobicContact CZ-CB 3.76Å; C244-A249 HydrophobicContact CB-CB 4.22Å; C244-A249 WeakPolarHBondContact O-CB 3.44Å; C244-A249 PolarHBondContact O-N 3.13Å; F247-A249 VanDerWaalsContact C-N 3.34Å
250	T	89.6	Confident	88.2	Confident	57 Å²	57	62.6 Å²	62.6	35%	0.35	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	119	175.6	45.2	0	0	0	0	109.4	E127 G180 I181	E127-T250 PolarHBondContact OE2-OG1 3.4Å; G180-T250 CarbonylContact C-O 3.51Å; G180-T250 WeakPolarHBondContact CA-O 3.23Å; I181-T250 PolarHBondContact N-O 3.22Å; I181-T250 PolarHBondContact O-N 3.15Å
251	L	91.3	Very high	87.9	Confident	48 Å²	48	63.2 Å²	63.2	25%	0.251	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	132.4	-179.8	-70.1	164.3	0	0	0	110.1	L178 F227 K241 C244	L178-L251 HydrophobicContact CB-CD2 4.37Å; F227-L251 HydrophobicContact CZ-CD2 4.47Å; K241-L251 HydrophobicContact CG-CD1 3.87Å; C244-L251 HydrophobicContact CB-CD1 3.87Å; C244-L251 HydrophobicContact CB-CD2 4.05Å; C244-L251 HydrophobicContact CB-CG 4.07Å
252	Y	89.3	Confident	87.7	Confident	40 Å²	40	66.6 Å²	66.6	16%	0.157	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	143.3	-179.9	-70.6	-87	0	0	0	111.6	E124 E127 L128 I131 A179 C254	E124-Y252 WeakPolarHBondContact CA-OH 3.35Å; E124-Y252 PolarHBondContact O-OH 3.18Å; E127-Y252 HydrophobicContact CB-CE2 3.92Å; E127-Y252 PolarHBondContact OE2-OH 2.83Å; L128-Y252 HydrophobicContact CB-CD1 4.06Å; L128-Y252 HydrophobicContact CB-CE1 4.16Å; L128-Y252 HydrophobicContact CD1-CD1 3.94Å; L128-Y252 HydrophobicContact CD1-CG 4.13Å; L128-Y252 HydrophobicContact CG-CD1 4.44Å; I131-Y252 HydrophobicContact CD1-CD2 3.18Å; I131-Y252 HydrophobicContact CD1-CE2 3.96Å; I131-Y252 HydrophobicContact CD1-CG 3.76Å; A179-Y252 PolarHBondContact O-N 2.99Å; A179-Y252 VanDerWaalsContact O-N 3.13Å; Y252-C254 PolarHBondContact O-N 3.3Å
253	P	85.1	Confident	87.6	Confident	101 Å²	101	64.3 Å²	64.3	66%	0.656	35%	0.352	S	S	*	.			trans	-71.7	126.2	174.7	30	-32.4	0	0	0	109.7
254	C	83.4	Confident	87.5	Confident	19 Å²	19	66 Å²	66	13%	0.128	36%	0.361	C	S	.	.			trans	-123.9	118.6	178.5	-171.7	0	0	0	0	108.6	F177 A179 Y252	F177-C254 HydrophobicContact CE2-CB 4.04Å; A179-C254 HydrophobicContact CB-CB 4.19Å; Y252-C254 PolarHBondContact O-N 3.3Å
255	P	83.4	Confident	87.3	Confident	28 Å²	28	67.9 Å²	67.9	18%	0.182	38%	0.376	C	S	.	.			trans	-62.7	145.9	178.8	-22.5	31.3	0	0	0	113.1	D260 R261 M264	P255-D260 HydrophobicContact CB-CB 3.67Å; P255-D260 HydrophobicContact CG-CB 4.13Å; P255-R261 HydrophobicContact CB-CG 4.08Å; P255-R261 HydrophobicContact CG-CG 4.32Å; P255-R261 WeakPolarHBondContact O-CD 3.48Å; P255-R261 WeakPolarHBondContact O-CG 3.37Å; P255-R261 PolarHBondContact O-NE 3.24Å; P255-R261 VanDerWaalsContact O-NE 3.13Å; P255-M264 HydrophobicContact CG-CE 3.65Å; P255-M264 HydrophobicContact CG-SD 4.16Å
256	D	78.7	Confident	87.3	Confident	101 Å²	101	68.6 Å²	68.6	54%	0.54	38%	0.379	S	S	.	.	S	Bend	trans	-69.8	-43.6	177.7	-57.3	-26.5	0	0	0	110.9	F177 R261	F177-D256 WeakPolarHBondContact CE1-OD1 3.37Å; F177-D256 WeakPolarHBondContact CZ-OD1 3.49Å; D256-R261 PolarHBondContact O-NH2 2.83Å
257	S	82.3	Confident	87.3	Confident	51 Å²	51	71.6 Å²	71.6	36%	0.357	38%	0.378	S	S	.	.	S	Bend	trans	-66.3	131.6	-179.2	178.7	0	0	0	0	112.1	A259 D260 R261	S257-A259 VanDerWaalsContact C-N 3.26Å; S257-A259 PolarHBondContact O-N 3.28Å; S257-A259 PolarHBondContact OG-N 3.31Å; S257-D260 VanDerWaalsContact CB-OD2 3.28Å; S257-D260 WeakPolarHBondContact CB-OD2 3.31Å; S257-D260 PolarHBondContact O-N 3.1Å; S257-R261 PolarHBondContact O-N 3.44Å
258	Q	83.6	Confident	87.3	Confident	107 Å²	107	69.6 Å²	69.6	50%	0.5	37%	0.369	S	S	.	.	H	α-helix	trans	-61.1	-36.1	175	-172.9	-179.3	16.3	0	0	111.9	R262	Q258-R262 WeakPolarHBondContact O-CB 3.35Å; Q258-R262 PolarHBondContact O-N 3.02Å
259	A	85.3	Confident	87.5	Confident	57 Å²	57	67.9 Å²	67.9	47%	0.471	36%	0.363	S	S	.	.	H	α-helix	trans	-65.5	-44.5	178.7	0	0	0	0	0	111.4	S257 R262 N263	S257-A259 VanDerWaalsContact C-N 3.26Å; S257-A259 PolarHBondContact O-N 3.28Å; S257-A259 PolarHBondContact OG-N 3.31Å; A259-R262 PolarHBondContact O-N 3.25Å; A259-N263 VanDerWaalsContact O-CG 3.25Å; A259-N263 PolarHBondContact O-N 3.12Å; A259-N263 PolarHBondContact O-ND2 2.69Å
260	D	87.3	Confident	87.6	Confident	84 Å²	84	68.9 Å²	68.9	45%	0.449	37%	0.374	S	S	.	.	H	α-helix	trans	-70.3	-37.8	-179.3	-61.4	-27.8	0	0	0	111.7	P255 S257 R262 N263 M264	P255-D260 HydrophobicContact CB-CB 3.67Å; P255-D260 HydrophobicContact CG-CB 4.13Å; S257-D260 VanDerWaalsContact CB-OD2 3.28Å; S257-D260 WeakPolarHBondContact CB-OD2 3.31Å; S257-D260 PolarHBondContact O-N 3.1Å; D260-R262 VanDerWaalsContact C-N 3.34Å; D260-R262 PolarHBondContact O-N 3.28Å; D260-N263 PolarHBondContact O-N 3.49Å; D260-M264 WeakPolarHBondContact O-CB 3.25Å; D260-M264 PolarHBondContact O-N 3.09Å
261	R	85.3	Confident	87.8	Confident	13 Å²	13	69.9 Å²	69.9	5%	0.049	38%	0.375	C	S	.	.	H	α-helix	trans	-60	-42.8	171.4	-80.8	-174.9	-81.7	151.8	-16.2	112.3	L132 F139 P255 D256 S257 M264 A265	L132-R261 HydrophobicContact CD2-CG 4.31Å; F139-R261 VanDerWaalsContact CD2-CZ 3.46Å; P255-R261 HydrophobicContact CB-CG 4.08Å; P255-R261 HydrophobicContact CG-CG 4.32Å; P255-R261 WeakPolarHBondContact O-CD 3.48Å; P255-R261 WeakPolarHBondContact O-CG 3.37Å; P255-R261 PolarHBondContact O-NE 3.24Å; P255-R261 VanDerWaalsContact O-NE 3.13Å; D256-R261 PolarHBondContact O-NH2 2.83Å; S257-R261 PolarHBondContact O-N 3.44Å; R261-M264 PolarHBondContact O-N 2.88Å; R261-A265 WeakPolarHBondContact O-CB 3.39Å; R261-A265 PolarHBondContact O-N 3.48Å
262	R	86.4	Confident	87.9	Confident	181 Å²	181	68.2 Å²	68.2	68%	0.683	37%	0.366	S	S	*	.	H	α-helix	trans	-65.2	-43	177.3	-176.3	175.7	176.8	159.4	-0.5	111.4	Q258 A259 D260 A265 I266	Q258-R262 WeakPolarHBondContact O-CB 3.35Å; Q258-R262 PolarHBondContact O-N 3.02Å; A259-R262 PolarHBondContact O-N 3.25Å; D260-R262 VanDerWaalsContact C-N 3.34Å; D260-R262 PolarHBondContact O-N 3.28Å; R262-A265 PolarHBondContact O-N 2.85Å; R262-I266 HydrophobicContact CG-CD1 4.15Å; R262-I266 VanDerWaalsContact O-CG1 3.31Å; R262-I266 WeakPolarHBondContact O-CG1 3.4Å; R262-I266 PolarHBondContact O-N 3.24Å
263	N	90	Very high	88.1	Confident	98 Å²	98	72.3 Å²	72.3	52%	0.524	39%	0.386	S	S	.	.	H	α-helix	trans	-62.2	-46.9	176.8	-68.8	-20.9	0	0	0	111.3	A259 D260 A265 I266 E267	A259-N263 VanDerWaalsContact O-CG 3.25Å; A259-N263 PolarHBondContact O-N 3.12Å; A259-N263 PolarHBondContact O-ND2 2.69Å; D260-N263 PolarHBondContact O-N 3.49Å; N263-A265 VanDerWaalsContact C-N 3.33Å; N263-A265 PolarHBondContact O-N 3.33Å; N263-I266 PolarHBondContact O-N 2.97Å; N263-E267 PolarHBondContact O-N 3.35Å
264	M	90.2	Very high	88.5	Confident	53 Å²	53	72.4 Å²	72.4	26%	0.261	38%	0.382	S	S	.	.	H	α-helix	trans	-62.4	-38.2	176.3	-172.2	178.4	-75	0	0	112.1	L132 P255 D260 R261 E267 V268	L132-M264 HydrophobicContact CD1-CB 4.35Å; L132-M264 HydrophobicContact CD1-CG 3.94Å; L132-M264 HydrophobicContact CD1-SD 4.31Å; L132-M264 HydrophobicContact CD2-SD 4.21Å; P255-M264 HydrophobicContact CG-CE 3.65Å; P255-M264 HydrophobicContact CG-SD 4.16Å; D260-M264 WeakPolarHBondContact O-CB 3.25Å; D260-M264 PolarHBondContact O-N 3.09Å; R261-M264 PolarHBondContact O-N 2.88Å; M264-E267 PolarHBondContact O-N 3.32Å; M264-V268 HydrophobicContact CG-CG2 4.36Å; M264-V268 WeakPolarHBondContact O-CB 3.33Å; M264-V268 VanDerWaalsContact O-CG2 3.23Å; M264-V268 WeakPolarHBondContact O-CG2 3.37Å; M264-V268 PolarHBondContact O-N 2.91Å
265	A	88.2	Confident	89	Confident	38 Å²	38	73 Å²	73	31%	0.314	38%	0.384	S	S	.	.	H	α-helix	trans	-65.7	-38.5	176.7	0	0	0	0	0	112.6	L132 R261 R262 N263 M269	L132-A265 HydrophobicContact CB-CB 4.36Å; L132-A265 HydrophobicContact CD1-CB 4.14Å; R261-A265 WeakPolarHBondContact O-CB 3.39Å; R261-A265 PolarHBondContact O-N 3.48Å; R262-A265 PolarHBondContact O-N 2.85Å; N263-A265 VanDerWaalsContact C-N 3.33Å; N263-A265 PolarHBondContact O-N 3.33Å; A265-M269 VanDerWaalsContact O-CB 3.28Å; A265-M269 WeakPolarHBondContact O-CB 3.32Å; A265-M269 PolarHBondContact O-N 3.18Å
266	I	90.5	Very high	89.4	Confident	105 Å²	105	76.6 Å²	76.6	54%	0.538	40%	0.398	S	S	.	.	H	α-helix	trans	-65.8	-44.2	175.1	-67.4	165.1	0	0	0	110.2	R262 N263 M269 G270	R262-I266 HydrophobicContact CG-CD1 4.15Å; R262-I266 VanDerWaalsContact O-CG1 3.31Å; R262-I266 WeakPolarHBondContact O-CG1 3.4Å; R262-I266 PolarHBondContact O-N 3.24Å; N263-I266 PolarHBondContact O-N 2.97Å; I266-M269 PolarHBondContact O-N 3.33Å; I266-G270 PolarHBondContact O-N 3.27Å
267	E	92	Very high	90.1	Very high	121 Å²	121	75.1 Å²	75.1	57%	0.565	39%	0.392	S	S	*	.	H	α-helix	trans	-60.8	-49.7	177	-173.4	-177.1	171.6	0	0	112	N263 M264 M269 G270 Q271	N263-E267 PolarHBondContact O-N 3.35Å; M264-E267 PolarHBondContact O-N 3.32Å; E267-M269 VanDerWaalsContact C-N 3.32Å; E267-M269 PolarHBondContact O-N 3.46Å; E267-G270 PolarHBondContact O-N 2.92Å; E267-Q271 WeakPolarHBondContact O-CG 3.27Å; E267-Q271 PolarHBondContact O-N 2.93Å
268	V	92.5	Very high	90.7	Very high	6 Å²	6	75.4 Å²	75.4	4%	0.036	39%	0.392	C	S	.	.	H	α-helix	trans	-62.3	-39.1	178.2	171	0	0	0	0	111.3	L125 L128 K129 L132 M264 Q271 I272	L125-V268 HydrophobicContact CB-CG1 4.35Å; L125-V268 HydrophobicContact CD2-CG1 4.4Å; L128-V268 HydrophobicContact CD2-CG2 3.59Å; L128-V268 HydrophobicContact CG-CG2 4.16Å; K129-V268 HydrophobicContact CB-CG1 4.13Å; L132-V268 HydrophobicContact CD1-CG2 4.39Å; M264-V268 HydrophobicContact CG-CG2 4.36Å; M264-V268 WeakPolarHBondContact O-CB 3.33Å; M264-V268 VanDerWaalsContact O-CG2 3.23Å; M264-V268 WeakPolarHBondContact O-CG2 3.37Å; M264-V268 PolarHBondContact O-N 2.91Å; V268-Q271 PolarHBondContact O-N 3.25Å; V268-I272 HydrophobicContact CG1-CD1 3.83Å; V268-I272 HydrophobicContact CG1-CG1 4.4Å; V268-I272 VanDerWaalsContact O-CG1 3.26Å; V268-I272 WeakPolarHBondContact O-CG1 3.41Å; V268-I272 PolarHBondContact O-N 3.26Å
269	M	92.6	Very high	91	Very high	109 Å²	109	72.3 Å²	72.3	54%	0.537	38%	0.379	S	S	.	.	H	α-helix	trans	-64.6	-40.7	176.9	-173.9	175.8	-73.3	0	0	112	A265 I266 E267 I272 Q273	A265-M269 VanDerWaalsContact O-CB 3.28Å; A265-M269 WeakPolarHBondContact O-CB 3.32Å; A265-M269 PolarHBondContact O-N 3.18Å; I266-M269 PolarHBondContact O-N 3.33Å; E267-M269 VanDerWaalsContact C-N 3.32Å; E267-M269 PolarHBondContact O-N 3.46Å; M269-I272 PolarHBondContact O-N 2.85Å; M269-Q273 PolarHBondContact O-N 2.92Å; M269-Q273 VanDerWaalsContact O-N 3.11Å
270	G	93.4	Very high	91.4	Very high	30 Å²	30	72.7 Å²	72.7	31%	0.309	38%	0.375	S	S	.	.	H	α-helix	trans	-61	-47.5	173.4	0	0	0	0	0	112.2	I266 E267 I272 Q273 D274	I266-G270 PolarHBondContact O-N 3.27Å; E267-G270 PolarHBondContact O-N 2.92Å; G270-I272 VanDerWaalsContact C-N 3.34Å; G270-I272 PolarHBondContact O-N 3.34Å; G270-Q273 PolarHBondContact O-N 2.78Å; G270-D274 PolarHBondContact O-N 2.87Å
271	Q	94	Very high	91.6	Very high	78 Å²	78	74.6 Å²	74.6	36%	0.364	38%	0.381	S	S	.	.	H	α-helix	trans	-62	-38.8	177.8	-69.5	178.2	1.8	0	0	113	L125 E267 V268 D274 L275	L125-Q271 HydrophobicContact CD1-CB 3.9Å; E267-Q271 WeakPolarHBondContact O-CG 3.27Å; E267-Q271 PolarHBondContact O-N 2.93Å; V268-Q271 PolarHBondContact O-N 3.25Å; Q271-D274 PolarHBondContact O-N 3.08Å; Q271-L275 WeakPolarHBondContact O-CB 3.41Å; Q271-L275 WeakPolarHBondContact O-CG 3.16Å; Q271-L275 PolarHBondContact O-N 3.3Å
272	I	92.3	Very high	91.9	Very high	12 Å²	12	75.3 Å²	75.3	6%	0.062	39%	0.387	C	S	.	.	H	α-helix	trans	-63.2	-43.9	175.9	-72.9	168.8	0	0	0	110.7	Y122 L125 K129 V268 M269 G270 L275 E276	Y122-I272 HydrophobicContact CD2-CG2 4.4Å; Y122-I272 HydrophobicContact CE2-CG2 3.79Å; L125-I272 HydrophobicContact CB-CD1 4.11Å; L125-I272 HydrophobicContact CB-CG1 3.75Å; L125-I272 HydrophobicContact CD1-CG1 4.36Å; K129-I272 HydrophobicContact CB-CD1 3.92Å; K129-I272 HydrophobicContact CD-CD1 3.79Å; K129-I272 HydrophobicContact CG-CD1 4.38Å; V268-I272 HydrophobicContact CG1-CD1 3.83Å; V268-I272 HydrophobicContact CG1-CG1 4.4Å; V268-I272 VanDerWaalsContact O-CG1 3.26Å; V268-I272 WeakPolarHBondContact O-CG1 3.41Å; V268-I272 PolarHBondContact O-N 3.26Å; M269-I272 PolarHBondContact O-N 2.85Å; G270-I272 VanDerWaalsContact C-N 3.34Å; G270-I272 PolarHBondContact O-N 3.34Å; I272-L275 PolarHBondContact O-N 3.43Å; I272-E276 WeakPolarHBondContact O-CB 3.46Å; I272-E276 PolarHBondContact O-N 3.29Å
273	Q	93.5	Very high	92.1	Very high	126 Å²	126	73.4 Å²	73.4	59%	0.589	38%	0.38	S	S	*	.	H	α-helix	trans	-62.2	-44.7	178.2	-175.6	175.4	-8.1	0	0	110.9	M269 G270 E276 T277	M269-Q273 PolarHBondContact O-N 2.92Å; M269-Q273 VanDerWaalsContact O-N 3.11Å; G270-Q273 PolarHBondContact O-N 2.78Å; Q273-E276 PolarHBondContact O-N 3.29Å; Q273-T277 WeakPolarHBondContact O-CG2 3.49Å; Q273-T277 PolarHBondContact O-N 3.48Å; Q273-T277 VanDerWaalsContact O-N 3.12Å
274	D	94	Very high	92.1	Very high	104 Å²	104	73.7 Å²	73.7	56%	0.556	38%	0.378	S	S	*	.	H	α-helix	trans	-61.3	-46.7	176	-68.6	-20.7	0	0	0	111.4	G270 Q271 E276 T277 V278	G270-D274 PolarHBondContact O-N 2.87Å; Q271-D274 PolarHBondContact O-N 3.08Å; D274-E276 VanDerWaalsContact C-N 3.32Å; D274-E276 PolarHBondContact O-N 2.78Å; D274-T277 PolarHBondContact O-N 3.49Å; D274-T277 PolarHBondContact O-OG1 3.24Å; D274-V278 WeakPolarHBondContact O-CG2 3.36Å; D274-V278 PolarHBondContact O-N 3.1Å; D274-V278 VanDerWaalsContact O-N 3.11Å
275	L	93.2	Very high	92.1	Very high	32 Å²	32	75 Å²	75	17%	0.168	38%	0.383	C	S	.	.	H	α-helix	trans	-61.6	-37.8	176.6	-76	174.4	0	0	0	112.8	L118 T121 Y122 L125 Q271 I272 T277 V278 L279	L118-L275 HydrophobicContact CD2-CD2 3.7Å; T121-L275 HydrophobicContact CG2-CD1 3.92Å; Y122-L275 HydrophobicContact CD2-CB 4.43Å; L125-L275 HydrophobicContact CD1-CD1 3.56Å; Q271-L275 WeakPolarHBondContact O-CB 3.41Å; Q271-L275 WeakPolarHBondContact O-CG 3.16Å; Q271-L275 PolarHBondContact O-N 3.3Å; I272-L275 PolarHBondContact O-N 3.43Å; L275-T277 VanDerWaalsContact C-N 3.34Å; L275-V278 PolarHBondContact O-N 2.83Å; L275-L279 VanDerWaalsContact O-CB 3.24Å; L275-L279 WeakPolarHBondContact O-CB 3.36Å; L275-L279 PolarHBondContact O-N 2.82Å
276	E	92.3	Very high	92.2	Very high	103 Å²	103	75.4 Å²	75.4	48%	0.481	38%	0.377	S	S	.	.	H	α-helix	trans	-64.2	-39.6	177.6	-173.7	172.2	-174.6	0	0	111.5	I272 Q273 D274 T280	I272-E276 WeakPolarHBondContact O-CB 3.46Å; I272-E276 PolarHBondContact O-N 3.29Å; Q273-E276 PolarHBondContact O-N 3.29Å; D274-E276 VanDerWaalsContact C-N 3.32Å; D274-E276 PolarHBondContact O-N 2.78Å; E276-T280 WeakPolarHBondContact O-CB 3.13Å; E276-T280 PolarHBondContact O-N 3.06Å; E276-T280 PolarHBondContact O-OG1 3.17Å
277	T	93.4	Very high	92.2	Very high	69 Å²	69	73.4 Å²	73.4	42%	0.423	37%	0.365	S	S	.	.	H	α-helix	trans	-63.7	-44.2	174.1	67.5	0	0	0	0	111.8	Q273 D274 L275 T280 Q281	Q273-T277 WeakPolarHBondContact O-CG2 3.49Å; Q273-T277 PolarHBondContact O-N 3.48Å; Q273-T277 VanDerWaalsContact O-N 3.12Å; D274-T277 PolarHBondContact O-N 3.49Å; D274-T277 PolarHBondContact O-OG1 3.24Å; L275-T277 VanDerWaalsContact C-N 3.34Å; T277-T280 PolarHBondContact O-N 3.22Å; T277-Q281 WeakPolarHBondContact O-CG 3.5Å; T277-Q281 PolarHBondContact O-N 3.45Å
278	V	93.9	Very high	92.1	Very high	57 Å²	57	74.8 Å²	74.8	35%	0.345	37%	0.365	S	S	.	.	H	α-helix	trans	-67.1	-40.9	178.9	176.7	0	0	0	0	111.5	L118 D274 L275 T280 Q281 T282	L118-V278 HydrophobicContact CD1-CG1 3.87Å; L118-V278 HydrophobicContact CD2-CG1 4.27Å; D274-V278 WeakPolarHBondContact O-CG2 3.36Å; D274-V278 PolarHBondContact O-N 3.1Å; D274-V278 VanDerWaalsContact O-N 3.11Å; L275-V278 PolarHBondContact O-N 2.83Å; V278-T280 VanDerWaalsContact C-N 3.32Å; V278-T280 PolarHBondContact O-N 3.4Å; V278-Q281 PolarHBondContact O-N 3.05Å; V278-T282 WeakPolarHBondContact O-CB 3.39Å; V278-T282 PolarHBondContact O-N 2.67Å; V278-T282 PolarHBondContact O-OG1 2.7Å
279	L	91.2	Very high	91.9	Very high	43 Å²	43	75.3 Å²	75.3	23%	0.225	37%	0.368	C	S	.	.	H	α-helix	trans	-64.2	-40.4	177.5	-167.4	154.8	0	0	0	110.6	K119 L275 T282 R283	K119-L279 HydrophobicContact CG-CD1 3.97Å; L275-L279 VanDerWaalsContact O-CB 3.24Å; L275-L279 WeakPolarHBondContact O-CB 3.36Å; L275-L279 PolarHBondContact O-N 2.82Å; L279-T282 PolarHBondContact O-N 3.43Å; L279-R283 VanDerWaalsContact O-CB 3.29Å; L279-R283 WeakPolarHBondContact O-CB 3.24Å; L279-R283 PolarHBondContact O-N 3.06Å
280	T	92.5	Very high	91.8	Very high	64 Å²	64	70.2 Å²	70.2	39%	0.393	34%	0.342	S	S	.	.	H	α-helix	trans	-62.7	-46.9	174.6	-59	0	0	0	0	111.5	E276 T277 V278 T282 R283 Q284	E276-T280 WeakPolarHBondContact O-CB 3.13Å; E276-T280 PolarHBondContact O-N 3.06Å; E276-T280 PolarHBondContact O-OG1 3.17Å; T277-T280 PolarHBondContact O-N 3.22Å; V278-T280 VanDerWaalsContact C-N 3.32Å; V278-T280 PolarHBondContact O-N 3.4Å; T280-T282 PolarHBondContact O-N 3.09Å; T280-R283 PolarHBondContact O-N 3.16Å; T280-Q284 WeakPolarHBondContact O-CB 3.46Å; T280-Q284 VanDerWaalsContact O-CG 3.31Å; T280-Q284 WeakPolarHBondContact O-CG 3.24Å; T280-Q284 PolarHBondContact O-N 3.47Å
281	Q	92.8	Very high	91.6	Very high	125 Å²	125	73 Å²	73	58%	0.584	35%	0.347	S	S	*	.	H	α-helix	trans	-62.3	-43.3	176.7	-72	176.5	3.4	0	0	112.1	T277 V278 R283 Q284 H285	T277-Q281 WeakPolarHBondContact O-CG 3.5Å; T277-Q281 PolarHBondContact O-N 3.45Å; V278-Q281 PolarHBondContact O-N 3.05Å; Q281-R283 PolarHBondContact O-N 2.74Å; Q281-Q284 PolarHBondContact O-N 3.11Å; Q281-H285 WeakPolarHBondContact O-CB 3.2Å; Q281-H285 PolarHBondContact O-N 3.38Å
282	T	92	Very high	91.3	Very high	28 Å²	28	73.3 Å²	73.3	17%	0.172	36%	0.355	C	S	.	.	H	α-helix	trans	-62.3	-43.7	177.5	-55.8	0	0	0	0	110.7	V111 A115 V278 L279 T280 H285 R286	V111-T282 HydrophobicContact CG1-CG2 4Å; A115-T282 HydrophobicContact CB-CG2 4.24Å; V278-T282 WeakPolarHBondContact O-CB 3.39Å; V278-T282 PolarHBondContact O-N 2.67Å; V278-T282 PolarHBondContact O-OG1 2.7Å; L279-T282 PolarHBondContact O-N 3.43Å; T280-T282 PolarHBondContact O-N 3.09Å; T282-H285 PolarHBondContact O-N 2.91Å; T282-R286 WeakPolarHBondContact O-CB 3.41Å; T282-R286 PolarHBondContact O-N 3.06Å
283	R	88.6	Confident	91.1	Very high	141 Å²	141	72.8 Å²	72.8	53%	0.532	35%	0.352	S	S	.	.	H	α-helix	trans	-64.3	-45.4	176.4	-174.4	178.7	-178.5	166.3	2.9	112	L279 T280 Q281 H285 R286 Q287	L279-R283 VanDerWaalsContact O-CB 3.29Å; L279-R283 WeakPolarHBondContact O-CB 3.24Å; L279-R283 PolarHBondContact O-N 3.06Å; T280-R283 PolarHBondContact O-N 3.16Å; Q281-R283 PolarHBondContact O-N 2.74Å; R283-H285 VanDerWaalsContact C-N 3.32Å; R283-H285 PolarHBondContact O-N 2.7Å; R283-R286 WeakPolarHBondContact O-CB 3.48Å; R283-R286 PolarHBondContact O-N 2.92Å; R283-Q287 WeakPolarHBondContact O-CB 3.4Å; R283-Q287 VanDerWaalsContact O-CG 3.29Å; R283-Q287 WeakPolarHBondContact O-CG 3.47Å; R283-Q287 PolarHBondContact O-N 2.94Å
284	Q	90.9	Very high	90.9	Very high	104 Å²	104	67.1 Å²	67.1	49%	0.486	33%	0.327	S	S	.	.	H	α-helix	trans	-63.5	-38.4	176.7	-74.1	176.2	-0.2	0	0	111.9	T280 Q281 R288	T280-Q284 WeakPolarHBondContact O-CB 3.46Å; T280-Q284 VanDerWaalsContact O-CG 3.31Å; T280-Q284 WeakPolarHBondContact O-CG 3.24Å; T280-Q284 PolarHBondContact O-N 3.47Å; Q281-Q284 PolarHBondContact O-N 3.11Å; Q284-R288 WeakPolarHBondContact O-CG 3.39Å; Q284-R288 PolarHBondContact O-N 3.27Å; Q284-R288 VanDerWaalsContact O-N 3.1Å; Q284-R288 PolarHBondContact O-NE 3.16Å
285	H	91.3	Very high	90.5	Very high	79 Å²	79	67 Å²	67	37%	0.366	32%	0.321	S	S	.	.	H	α-helix	trans	-64.2	-47.8	174.3	-176.8	51.7	0	0	0	111.5	Q281 T282 R283 Q287 R288 I289	Q281-H285 WeakPolarHBondContact O-CB 3.2Å; Q281-H285 PolarHBondContact O-N 3.38Å; T282-H285 PolarHBondContact O-N 2.91Å; R283-H285 VanDerWaalsContact C-N 3.32Å; R283-H285 PolarHBondContact O-N 2.7Å; H285-Q287 VanDerWaalsContact C-N 3.33Å; H285-Q287 PolarHBondContact O-N 3Å; H285-R288 PolarHBondContact O-N 3.2Å; H285-I289 WeakPolarHBondContact O-CG1 3.46Å; H285-I289 PolarHBondContact O-N 3.28Å; H285-I289 VanDerWaalsContact O-N 3.15Å
286	R	89.8	Confident	90.2	Very high	48 Å²	48	68.8 Å²	68.8	18%	0.181	33%	0.331	C	S	.	.	H	α-helix	trans	-55.1	-47.9	174.2	-166.1	-176.5	69.4	161.9	4.2	111.9	D75 L108 V111 N112 T282 R283 R288 I289 L290	D75-R286 IonicContact OD1-CZ 2.65Å; D75-R286 IonicContact OD1-NH2 2.94Å; D75-R286 PolarHBondContact OD1-NH2 3.38Å; D75-R286 IonicContact OD2-CZ 3.69Å; D75-R286 VanDerWaalsContact OD2-CZ 3.31Å; D75-R286 IonicContact OD2-NE 3.5Å; D75-R286 PolarHBondContact OD2-NE 3.18Å; D75-R286 IonicContact OD2-NH2 3.44Å; D75-R286 PolarHBondContact OD2-NH2 2.98Å; L108-R286 HydrophobicContact CD1-CG 3.9Å; V111-R286 HydrophobicContact CG1-CB 3.74Å; V111-R286 HydrophobicContact CG1-CG 3.9Å; N112-R286 WeakPolarHBondContact OD1-CD 3.4Å; T282-R286 WeakPolarHBondContact O-CB 3.41Å; T282-R286 PolarHBondContact O-N 3.06Å; R283-R286 WeakPolarHBondContact O-CB 3.48Å; R283-R286 PolarHBondContact O-N 2.92Å; R286-R288 VanDerWaalsContact C-N 3.34Å; R286-R288 PolarHBondContact O-N 2.84Å; R286-I289 PolarHBondContact O-N 3.05Å; R286-L290 HydrophobicContact CG-CD1 4.03Å; R286-L290 HydrophobicContact CG-CG 4.46Å; R286-L290 WeakPolarHBondContact O-CG 3.42Å; R286-L290 PolarHBondContact O-N 3.35Å
287	Q	89.4	Confident	90.1	Very high	63 Å²	63	64 Å²	64	29%	0.294	31%	0.309	S	S	.	.	H	α-helix	trans	-60.5	-40.9	179.6	-76.7	177.5	-24.8	0	0	112.3	F77 R283 H285 L290 E291	F77-Q287 HydrophobicContact CE2-CG 4.29Å; F77-Q287 HydrophobicContact CZ-CB 4.06Å; F77-Q287 HydrophobicContact CZ-CG 3.97Å; R283-Q287 WeakPolarHBondContact O-CB 3.4Å; R283-Q287 VanDerWaalsContact O-CG 3.29Å; R283-Q287 WeakPolarHBondContact O-CG 3.47Å; R283-Q287 PolarHBondContact O-N 2.94Å; H285-Q287 VanDerWaalsContact C-N 3.33Å; H285-Q287 PolarHBondContact O-N 3Å; Q287-L290 PolarHBondContact O-N 3.03Å; Q287-E291 VanDerWaalsContact O-CB 3.31Å; Q287-E291 WeakPolarHBondContact O-CB 3.38Å; Q287-E291 PolarHBondContact O-N 2.92Å
288	R	90	Very high	89.6	Confident	150 Å²	150	63.5 Å²	63.5	57%	0.566	30%	0.299	S	S	*	.	H	α-helix	trans	-64.2	-40.6	176.5	-74.5	-176.9	-69.1	153.1	-3.4	113	Q284 H285 R286 T292	Q284-R288 WeakPolarHBondContact O-CG 3.39Å; Q284-R288 PolarHBondContact O-N 3.27Å; Q284-R288 VanDerWaalsContact O-N 3.1Å; Q284-R288 PolarHBondContact O-NE 3.16Å; H285-R288 PolarHBondContact O-N 3.2Å; R286-R288 VanDerWaalsContact C-N 3.34Å; R286-R288 PolarHBondContact O-N 2.84Å; R288-T292 WeakPolarHBondContact O-CB 3.4Å; R288-T292 PolarHBondContact O-N 3Å; R288-T292 VanDerWaalsContact O-N 3.1Å; R288-T292 PolarHBondContact O-OG1 3.35Å
289	I	89.8	Confident	89.3	Confident	17 Å²	17	62.1 Å²	62.1	9%	0.087	29%	0.291	C	S	.	.	H	α-helix	trans	-63.3	-50.1	175.4	-65	167.6	0	0	0	109.5	L104 H285 R286 E291 T292 A293	L104-I289 HydrophobicContact CD2-CG2 4.08Å; H285-I289 WeakPolarHBondContact O-CG1 3.46Å; H285-I289 PolarHBondContact O-N 3.28Å; H285-I289 VanDerWaalsContact O-N 3.15Å; R286-I289 PolarHBondContact O-N 3.05Å; I289-E291 PolarHBondContact O-N 3.43Å; I289-T292 PolarHBondContact O-N 2.83Å; I289-A293 WeakPolarHBondContact O-CB 3.32Å; I289-A293 PolarHBondContact O-N 2.99Å
290	L	90	Very high	89.3	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-62.4	-39.9	179.7	-69.4	174.5	0	0	0	112.2	E71 I72 D75 F77 L108 R286 Q287 T292 A293 A294	E71-L290 HydrophobicContact CB-CD2 4.08Å; I72-L290 HydrophobicContact CG1-CB 4.48Å; I72-L290 HydrophobicContact CG1-CD2 3.88Å; D75-L290 HydrophobicContact CB-CD1 4.28Å; D75-L290 WeakPolarHBondContact OD2-CD1 3.47Å; F77-L290 HydrophobicContact CD2-CB 4.27Å; F77-L290 HydrophobicContact CE2-CB 4.11Å; F77-L290 HydrophobicContact CE2-CD1 4.41Å; L108-L290 HydrophobicContact CD1-CD2 4.03Å; L108-L290 HydrophobicContact CD1-CG 4.35Å; L108-L290 HydrophobicContact CD2-CD2 3.92Å; R286-L290 HydrophobicContact CG-CD1 4.03Å; R286-L290 HydrophobicContact CG-CG 4.46Å; R286-L290 WeakPolarHBondContact O-CG 3.42Å; R286-L290 PolarHBondContact O-N 3.35Å; Q287-L290 PolarHBondContact O-N 3.03Å; L290-T292 VanDerWaalsContact C-N 3.35Å; L290-T292 PolarHBondContact O-N 2.89Å; L290-A293 PolarHBondContact O-N 3.07Å; L290-A294 WeakPolarHBondContact O-CB 3.38Å; L290-A294 PolarHBondContact O-N 3.17Å
291	E	88.2	Confident	89.1	Confident	88 Å²	88	58.6 Å²	58.6	41%	0.411	27%	0.268	S	S	.	.	H	α-helix	trans	-64.4	-40.6	177.1	-167.1	-162.5	149	0	0	111.6	Q287 I289 A294 K295	Q287-E291 VanDerWaalsContact O-CB 3.31Å; Q287-E291 WeakPolarHBondContact O-CB 3.38Å; Q287-E291 PolarHBondContact O-N 2.92Å; I289-E291 PolarHBondContact O-N 3.43Å; E291-A294 PolarHBondContact O-N 3.02Å; E291-K295 WeakPolarHBondContact O-CG 3.49Å; E291-K295 PolarHBondContact O-N 3.31Å; E291-K295 WeakPolarHBondContact OE1-CE 3.48Å; E291-K295 IonicContact OE1-NZ 2.71Å; E291-K295 PolarHBondContact OE1-NZ 2.93Å
292	T	87.6	Confident	88.9	Confident	85 Å²	85	52.9 Å²	52.9	52%	0.521	24%	0.241	S	C	.	.	H	α-helix	trans	-68	-40	177.3	-53.6	0	0	0	0	111.1	R288 I289 L290	R288-T292 WeakPolarHBondContact O-CB 3.4Å; R288-T292 PolarHBondContact O-N 3Å; R288-T292 VanDerWaalsContact O-N 3.1Å; R288-T292 PolarHBondContact O-OG1 3.35Å; I289-T292 PolarHBondContact O-N 2.83Å; L290-T292 VanDerWaalsContact C-N 3.35Å; L290-T292 PolarHBondContact O-N 2.89Å
293	A	89.4	Confident	88.7	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.008	25%	0.247	C	C	.	.	H	α-helix	trans	-67.1	-43.1	174.8	0	0	0	0	0	111.8	I72 I289 L290 K295 N296 L297 W300	I72-A293 HydrophobicContact CD1-CB 4.34Å; I289-A293 WeakPolarHBondContact O-CB 3.32Å; I289-A293 PolarHBondContact O-N 2.99Å; L290-A293 PolarHBondContact O-N 3.07Å; A293-K295 VanDerWaalsContact C-N 3.27Å; A293-K295 PolarHBondContact O-N 3.06Å; A293-N296 PolarHBondContact O-N 2.85Å; A293-N296 VanDerWaalsContact O-N 3.08Å; A293-L297 WeakPolarHBondContact O-CB 3.45Å; A293-L297 PolarHBondContact O-N 3.46Å; A293-W300 HydrophobicContact CB-CZ3 4.24Å
294	A	88.1	Confident	88.8	Confident	7 Å²	7	48.5 Å²	48.5	6%	0.058	22%	0.221	C	C	.	.	H	α-helix	trans	-61.4	-32.1	-177.9	0	0	0	0	0	113.3	I72 L290 E291 N296	I72-A294 HydrophobicContact CD1-CB 4.06Å; I72-A294 HydrophobicContact CG1-CB 4.44Å; I72-A294 HydrophobicContact CG2-CB 4.04Å; L290-A294 WeakPolarHBondContact O-CB 3.38Å; L290-A294 PolarHBondContact O-N 3.17Å; E291-A294 PolarHBondContact O-N 3.02Å; A294-N296 VanDerWaalsContact C-N 3.32Å; A294-N296 PolarHBondContact O-N 3.41Å
295	K	86.4	Confident	88.8	Confident	102 Å²	102	44.7 Å²	44.7	44%	0.443	20%	0.203	S	C	.	.	H	α-helix	trans	-65.7	-32	175.5	-72.2	170.5	-172.7	166.5	0	113.2	E291 A293	E291-K295 WeakPolarHBondContact O-CG 3.49Å; E291-K295 PolarHBondContact O-N 3.31Å; E291-K295 WeakPolarHBondContact OE1-CE 3.48Å; E291-K295 IonicContact OE1-NZ 2.71Å; E291-K295 PolarHBondContact OE1-NZ 2.93Å; A293-K295 VanDerWaalsContact C-N 3.27Å; A293-K295 PolarHBondContact O-N 3.06Å
296	N	87.4	Confident	88.8	Confident	70 Å²	70	41 Å²	41	37%	0.374	19%	0.186	S	C	.	.	H	α-helix	trans	-111	-10.6	-173	-65.6	-32.5	0	0	0	114	A293 A294 R298 T299 W300	A293-N296 PolarHBondContact O-N 2.85Å; A293-N296 VanDerWaalsContact O-N 3.08Å; A294-N296 VanDerWaalsContact C-N 3.32Å; A294-N296 PolarHBondContact O-N 3.41Å; N296-R298 VanDerWaalsContact C-N 3.28Å; N296-R298 PolarHBondContact O-N 3.28Å; N296-T299 WeakPolarHBondContact O-CB 3.49Å; N296-T299 PolarHBondContact O-N 3.35Å; N296-T299 VanDerWaalsContact O-N 3.12Å; N296-W300 HydrophobicContact CB-CD2 3.89Å; N296-W300 HydrophobicContact CB-CE3 4.19Å; N296-W300 HydrophobicContact CB-CH2 3.85Å; N296-W300 HydrophobicContact CB-CZ2 3.53Å; N296-W300 HydrophobicContact CB-CZ3 4.16Å; N296-W300 PolarHBondContact O-N 2.9Å
297	L	88.3	Confident	88.9	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-51.1	-46.8	-172.8	-175.3	71.9	0	0	0	112.3	L65 L68 E69 I72 I79 A293 W300 F301	L65-L297 HydrophobicContact CD2-CD1 4.11Å; L68-L297 HydrophobicContact CB-CD1 4.21Å; E69-L297 HydrophobicContact CB-CD2 3.99Å; E69-L297 HydrophobicContact CG-CD2 4.16Å; I72-L297 HydrophobicContact CD1-CD1 4.48Å; I72-L297 HydrophobicContact CD1-CD2 3.85Å; I79-L297 HydrophobicContact CD1-CD2 4.22Å; I79-L297 HydrophobicContact CG1-CD2 4.49Å; A293-L297 WeakPolarHBondContact O-CB 3.45Å; A293-L297 PolarHBondContact O-N 3.46Å; L297-W300 PolarHBondContact O-N 3.38Å; L297-F301 HydrophobicContact CD1-CD2 4.19Å; L297-F301 HydrophobicContact CD1-CE2 3.86Å; L297-F301 HydrophobicContact CD2-CE2 4.23Å; L297-F301 HydrophobicContact CG-CD2 3.91Å; L297-F301 HydrophobicContact CG-CE2 3.84Å; L297-F301 WeakPolarHBondContact O-CD2 3.5Å; L297-F301 PolarHBondContact O-N 2.92Å
298	R	84.6	Confident	89	Confident	59 Å²	59	38.5 Å²	38.5	22%	0.223	18%	0.175	C	C	.	.	H	α-helix	trans	-65.2	-45	-178.3	-172.9	162.7	-174.8	171.8	-27.2	112.4	D81 N296 W300 F301 I302 L865	D81-R298 WeakPolarHBondContact OD1-CD 3.36Å; D81-R298 IonicContact OD1-CZ 3.85Å; D81-R298 IonicContact OD1-NE 2.91Å; D81-R298 PolarHBondContact OD1-NE 2.9Å; D81-R298 IonicContact OD1-NH1 3.62Å; D81-R298 PolarHBondContact OD1-NH1 3.41Å; D81-R298 IonicContact OD1-NH2 3.61Å; D81-R298 PolarHBondContact OD1-NH2 3.02Å; D81-R298 IonicContact OD2-CZ 2.65Å; D81-R298 IonicContact OD2-NE 3.33Å; D81-R298 IonicContact OD2-NH1 3.74Å; D81-R298 PolarHBondContact OD2-NH1 3.3Å; D81-R298 IonicContact OD2-NH2 2.69Å; D81-R298 PolarHBondContact OD2-NH2 3.5Å; N296-R298 VanDerWaalsContact C-N 3.28Å; N296-R298 PolarHBondContact O-N 3.28Å; R298-W300 VanDerWaalsContact C-N 3.27Å; R298-W300 PolarHBondContact O-N 3.47Å; R298-F301 PolarHBondContact O-N 3.47Å; R298-I302 HydrophobicContact CG-CD1 4.15Å; R298-I302 WeakPolarHBondContact O-CG1 3.42Å; R298-I302 PolarHBondContact O-N 3.39Å; R298-L865 HydrophobicContact CG-CD1 4.23Å; R298-L865 HydrophobicContact CG-CD2 4.49Å; R298-L865 HydrophobicContact CG-CG 4.44Å
299	T	87.4	Confident	89.1	Confident	28 Å²	28	32.7 Å²	32.7	17%	0.172	16%	0.159	C	C	.	.	H	α-helix	trans	-59.6	-40.7	176	-52	0	0	0	0	111.1	P86 N296 I302 R303	P86-T299 HydrophobicContact CB-CG2 4.17Å; P86-T299 HydrophobicContact CG-CG2 3.86Å; N296-T299 WeakPolarHBondContact O-CB 3.49Å; N296-T299 PolarHBondContact O-N 3.35Å; N296-T299 VanDerWaalsContact O-N 3.12Å; T299-I302 PolarHBondContact O-N 2.98Å; T299-R303 WeakPolarHBondContact O-CG 3.3Å; T299-R303 PolarHBondContact O-N 3.34Å
300	W	90.1	Very high	89.2	Confident	31 Å²	31	31.9 Å²	31.9	12%	0.117	16%	0.155	C	C	.	.	H	α-helix	trans	-64.9	-45	176.3	-66.8	-27.5	0	0	0	112.7	L65 I100 F101 L104 A293 N296 L297 R298 I302 R303 V304	L65-W300 HydrophobicContact CD1-CB 4.19Å; L65-W300 HydrophobicContact CD2-CB 3.86Å; L65-W300 HydrophobicContact CD2-CE3 4.05Å; I100-W300 HydrophobicContact CG2-CZ2 4.48Å; F101-W300 HydrophobicContact CD1-CE3 4.44Å; F101-W300 HydrophobicContact CE1-CB 3.93Å; F101-W300 AromaticContact CE1-CD1 3.99Å; F101-W300 AromaticContact CE1-CD2 3.52Å; F101-W300 HydrophobicContact CE1-CD2 3.52Å; F101-W300 AromaticContact CE1-CE2 3.96Å; F101-W300 AromaticContact CE1-CE3 3.83Å; F101-W300 HydrophobicContact CE1-CE3 3.83Å; F101-W300 AromaticContact CE1-CG 3.56Å; F101-W300 HydrophobicContact CE1-CG 3.56Å; F101-W300 HydrophobicContact CZ-CB 3.67Å; F101-W300 HydrophobicContact CZ-CD2 4.17Å; F101-W300 AromaticContact CZ-CG 3.7Å; F101-W300 HydrophobicContact CZ-CG 3.7Å; L104-W300 HydrophobicContact CD1-CH2 3.78Å; L104-W300 HydrophobicContact CD1-CZ3 3.98Å; A293-W300 HydrophobicContact CB-CZ3 4.24Å; N296-W300 HydrophobicContact CB-CD2 3.89Å; N296-W300 HydrophobicContact CB-CE3 4.19Å; N296-W300 HydrophobicContact CB-CH2 3.85Å; N296-W300 HydrophobicContact CB-CZ2 3.53Å; N296-W300 HydrophobicContact CB-CZ3 4.16Å; N296-W300 PolarHBondContact O-N 2.9Å; L297-W300 PolarHBondContact O-N 3.38Å; R298-W300 VanDerWaalsContact C-N 3.27Å; R298-W300 PolarHBondContact O-N 3.47Å; W300-I302 PolarHBondContact O-N 3.46Å; W300-R303 PolarHBondContact O-N 3.04Å; W300-V304 WeakPolarHBondContact O-CG2 3.23Å; W300-V304 PolarHBondContact O-N 3.15Å
301	F	89.2	Confident	89.4	Confident	3 Å²	3	33 Å²	33	1%	0.013	16%	0.159	C	C	.	.	H	α-helix	trans	-57.5	-47.9	174.5	-92.2	-66.8	0	0	0	112.2	L65 R66 E69 L297 R298 R303 V304 R305 L865	L65-F301 HydrophobicContact CB-CD1 4.14Å; L65-F301 HydrophobicContact CB-CD2 4.36Å; L65-F301 HydrophobicContact CB-CE1 3.64Å; L65-F301 HydrophobicContact CB-CE2 3.89Å; L65-F301 HydrophobicContact CB-CG 4.48Å; L65-F301 HydrophobicContact CB-CZ 3.52Å; L65-F301 HydrophobicContact CD1-CD1 4.06Å; L65-F301 HydrophobicContact CD1-CE1 4.37Å; L65-F301 HydrophobicContact CD1-CG 4.21Å; R66-F301 HydrophobicContact CG-CE1 4.12Å; R66-F301 HydrophobicContact CG-CZ 4.04Å; E69-F301 HydrophobicContact CB-CE2 4.39Å; L297-F301 HydrophobicContact CD1-CD2 4.19Å; L297-F301 HydrophobicContact CD1-CE2 3.86Å; L297-F301 HydrophobicContact CD2-CE2 4.23Å; L297-F301 HydrophobicContact CG-CD2 3.91Å; L297-F301 HydrophobicContact CG-CE2 3.84Å; L297-F301 WeakPolarHBondContact O-CD2 3.5Å; L297-F301 PolarHBondContact O-N 2.92Å; R298-F301 PolarHBondContact O-N 3.47Å; F301-R303 PolarHBondContact O-N 2.73Å; F301-V304 PolarHBondContact O-N 3.02Å; F301-R305 WeakPolarHBondContact O-CB 3.39Å; F301-R305 WeakPolarHBondContact O-CG 3.29Å; F301-R305 PolarHBondContact O-N 3.49Å; F301-L865 HydrophobicContact CB-CD2 4.42Å; F301-L865 HydrophobicContact CD2-CD2 4.12Å; F301-L865 HydrophobicContact CG-CD2 4.4Å
302	I	87.2	Confident	89.5	Confident	5 Å²	5	33.8 Å²	33.8	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-60.1	-48.1	179.7	-65	171.3	0	0	0	110.2	P86 R298 T299 W300 V304 R305 K306 N863	P86-I302 HydrophobicContact CG-CB 4.23Å; P86-I302 HydrophobicContact CG-CG2 3.92Å; R298-I302 HydrophobicContact CG-CD1 4.15Å; R298-I302 WeakPolarHBondContact O-CG1 3.42Å; R298-I302 PolarHBondContact O-N 3.39Å; T299-I302 PolarHBondContact O-N 2.98Å; W300-I302 PolarHBondContact O-N 3.46Å; I302-V304 PolarHBondContact O-N 3.46Å; I302-R305 PolarHBondContact O-N 3.27Å; I302-K306 HydrophobicContact CG2-CD 4.24Å; I302-K306 HydrophobicContact CG2-CG 4.32Å; I302-K306 WeakPolarHBondContact O-CB 3.49Å; I302-K306 VanDerWaalsContact O-CG 3.32Å; I302-K306 WeakPolarHBondContact O-CG 3.3Å; I302-K306 PolarHBondContact O-N 2.96Å; I302-N863 VanDerWaalsContact CG2-OD1 3.25Å; I302-N863 WeakPolarHBondContact CG2-OD1 3.49Å
303	R	89.5	Confident	89.8	Confident	76 Å²	76	30 Å²	30	29%	0.287	14%	0.139	S	C	.	.	H	α-helix	trans	-58.5	-49.2	178.8	-75.3	-179.3	-179.2	-163.3	1.3	112.1	P86 P89 T299 W300 F301 K306 I307	P86-R303 HydrophobicContact CB-CG 4.28Å; P86-R303 HydrophobicContact CG-CG 3.94Å; P89-R303 HydrophobicContact CG-CB 4.21Å; P89-R303 HydrophobicContact CG-CG 4.39Å; T299-R303 WeakPolarHBondContact O-CG 3.3Å; T299-R303 PolarHBondContact O-N 3.34Å; W300-R303 PolarHBondContact O-N 3.04Å; F301-R303 PolarHBondContact O-N 2.73Å; R303-K306 PolarHBondContact O-N 3.38Å; R303-I307 WeakPolarHBondContact O-CD1 3.32Å; R303-I307 VanDerWaalsContact O-CG1 3.23Å; R303-I307 WeakPolarHBondContact O-CG1 3.37Å; R303-I307 PolarHBondContact O-N 3.12Å
304	V	90.9	Very high	89.9	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.9	-43.3	-179.5	175.2	0	0	0	0	111.3	C58 M61 E62 L65 F101 W300 F301 I302 K306 I307 K308	C58-V304 HydrophobicContact CB-CG1 4.33Å; M61-V304 HydrophobicContact CB-CG1 4.05Å; M61-V304 HydrophobicContact CB-CG2 4.22Å; M61-V304 HydrophobicContact CE-CG1 4.29Å; M61-V304 HydrophobicContact CE-CG2 4.43Å; M61-V304 HydrophobicContact SD-CG2 4.47Å; E62-V304 HydrophobicContact CG-CG1 3.62Å; L65-V304 HydrophobicContact CD1-CB 4.36Å; L65-V304 HydrophobicContact CD1-CG2 3.93Å; F101-V304 HydrophobicContact CE2-CG2 3.76Å; F101-V304 HydrophobicContact CZ-CG2 4.37Å; W300-V304 WeakPolarHBondContact O-CG2 3.23Å; W300-V304 PolarHBondContact O-N 3.15Å; F301-V304 PolarHBondContact O-N 3.02Å; I302-V304 PolarHBondContact O-N 3.46Å; V304-K306 PolarHBondContact O-N 3.29Å; V304-I307 PolarHBondContact O-N 2.97Å; V304-K308 WeakPolarHBondContact O-CB 3.46Å; V304-K308 PolarHBondContact O-N 3.2Å
305	R	90.2	Very high	90.1	Very high	25 Å²	25	30.7 Å²	30.7	9%	0.094	14%	0.142	C	C	.	.	H	α-helix	trans	-64.7	-39.5	177.4	-73.8	179.7	177.8	174.9	0.5	112.3	E62 F301 I302 K308 A309 S864 D867	E62-R305 WeakPolarHBondContact OE1-CG 3.48Å; F301-R305 WeakPolarHBondContact O-CB 3.39Å; F301-R305 WeakPolarHBondContact O-CG 3.29Å; F301-R305 PolarHBondContact O-N 3.49Å; I302-R305 PolarHBondContact O-N 3.27Å; R305-K308 PolarHBondContact O-N 3.48Å; R305-A309 VanDerWaalsContact O-CB 3.3Å; R305-A309 WeakPolarHBondContact O-CB 3.34Å; R305-A309 PolarHBondContact O-N 3.3Å; R305-S864 PolarHBondContact NH1-O 3.1Å; R305-D867 IonicContact CZ-OD1 3.82Å; R305-D867 IonicContact CZ-OD2 2.81Å; R305-D867 IonicContact NH1-OD1 2.66Å; R305-D867 IonicContact NH2-OD1 2.69Å; R305-D867 PolarHBondContact NH2-OD1 3.34Å; R305-D867 IonicContact NH2-OD2 2.96Å; R305-D867 PolarHBondContact NH2-OD2 3.48Å
306	K	90.6	Very high	90.3	Very high	2 Å²	2	27 Å²	27	1%	0.009	13%	0.127	C	C	.	.	H	α-helix	trans	-60	-48.2	172.9	-74	-169.5	175.3	-165.8	0	111.3	E31 P86 A88 I302 R303 V304 K308 A309 I310 F859	E31-K306 IonicContact OE1-NZ 3.08Å; E31-K306 PolarHBondContact OE1-NZ 3.27Å; E31-K306 IonicContact OE2-NZ 3.38Å; E31-K306 PolarHBondContact OE2-NZ 2.99Å; P86-K306 WeakPolarHBondContact O-CE 3.35Å; P86-K306 PolarHBondContact O-NZ 3.4Å; A88-K306 HydrophobicContact CB-CD 4.31Å; I302-K306 HydrophobicContact CG2-CD 4.24Å; I302-K306 HydrophobicContact CG2-CG 4.32Å; I302-K306 WeakPolarHBondContact O-CB 3.49Å; I302-K306 VanDerWaalsContact O-CG 3.32Å; I302-K306 WeakPolarHBondContact O-CG 3.3Å; I302-K306 PolarHBondContact O-N 2.96Å; R303-K306 PolarHBondContact O-N 3.38Å; V304-K306 PolarHBondContact O-N 3.29Å; K306-K308 PolarHBondContact O-N 3.46Å; K306-A309 PolarHBondContact O-N 3.44Å; K306-I310 VanDerWaalsContact O-CG1 3.29Å; K306-I310 WeakPolarHBondContact O-CG1 3.5Å; K306-I310 PolarHBondContact O-N 2.95Å; K306-F859 HydrophobicContact CB-CD1 4.03Å; K306-F859 HydrophobicContact CB-CE1 3.97Å; K306-F859 HydrophobicContact CB-CZ 4.46Å; K306-F859 HydrophobicContact CD-CB 4.28Å; K306-F859 HydrophobicContact CD-CD1 4.3Å; K306-F859 HydrophobicContact CD-CD2 4.09Å; K306-F859 HydrophobicContact CD-CE2 4.49Å; K306-F859 HydrophobicContact CD-CG 3.99Å; K306-F859 HydrophobicContact CG-CB 4.11Å; K306-F859 HydrophobicContact CG-CD1 3.63Å; K306-F859 HydrophobicContact CG-CD2 4.33Å; K306-F859 HydrophobicContact CG-CE1 4.08Å; K306-F859 HydrophobicContact CG-CG 3.79Å
307	I	91.7	Very high	90.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-58.4	-48.6	177	-65.4	158.2	0	0	0	110.9	Y23 P89 I94 L97 R303 V304 A309 I310 Y311	Y23-I307 WeakPolarHBondContact OH-CG1 3.37Å; P89-I307 HydrophobicContact CG-CD1 3.45Å; P89-I307 VanDerWaalsContact CG-CD1 3.45Å; P89-I307 HydrophobicContact CG-CG1 3.57Å; I94-I307 HydrophobicContact CD1-CD1 4.47Å; I94-I307 HydrophobicContact CD1-CG2 3.62Å; I94-I307 HydrophobicContact CG1-CD1 3.84Å; I94-I307 HydrophobicContact CG1-CG1 4.42Å; I94-I307 HydrophobicContact CG1-CG2 4.16Å; L97-I307 HydrophobicContact CD1-CD1 4.47Å; R303-I307 WeakPolarHBondContact O-CD1 3.32Å; R303-I307 VanDerWaalsContact O-CG1 3.23Å; R303-I307 WeakPolarHBondContact O-CG1 3.37Å; R303-I307 PolarHBondContact O-N 3.12Å; V304-I307 PolarHBondContact O-N 2.97Å; I307-A309 VanDerWaalsContact C-N 3.32Å; I307-A309 PolarHBondContact O-N 3.32Å; I307-I310 WeakPolarHBondContact O-CB 3.43Å; I307-I310 PolarHBondContact O-N 2.81Å; I307-I310 VanDerWaalsContact O-N 3.17Å; I307-Y311 HydrophobicContact CG2-CD2 3.59Å; I307-Y311 HydrophobicContact CG2-CE2 3.34Å; I307-Y311 WeakPolarHBondContact O-CD2 3.4Å; I307-Y311 PolarHBondContact O-N 3.41Å
308	K	91.7	Very high	90.7	Very high	57 Å²	57	28.4 Å²	28.4	25%	0.248	13%	0.134	C	C	.	.	H	α-helix	trans	-58.3	-44.1	178.2	-179.6	176.6	168.5	173.7	0	111.8	C58 D59 E62 V304 R305 K306 I310 Y311 H312	C58-K308 HydrophobicContact CB-CB 3.85Å; C58-K308 HydrophobicContact CB-CG 4.27Å; D59-K308 WeakPolarHBondContact OD1-CE 3.28Å; D59-K308 IonicContact OD1-NZ 3.34Å; D59-K308 PolarHBondContact OD1-NZ 3.4Å; E62-K308 WeakPolarHBondContact OE1-CD 3.33Å; E62-K308 IonicContact OE1-NZ 2.69Å; E62-K308 PolarHBondContact OE1-NZ 3.26Å; E62-K308 IonicContact OE2-NZ 3.59Å; E62-K308 PolarHBondContact OE2-NZ 2.75Å; V304-K308 WeakPolarHBondContact O-CB 3.46Å; V304-K308 PolarHBondContact O-N 3.2Å; R305-K308 PolarHBondContact O-N 3.48Å; K306-K308 PolarHBondContact O-N 3.46Å; K308-I310 VanDerWaalsContact C-N 3.33Å; K308-I310 PolarHBondContact O-N 3.07Å; K308-Y311 PolarHBondContact O-N 3.29Å; K308-H312 VanDerWaalsContact O-CB 3.27Å; K308-H312 WeakPolarHBondContact O-CB 3.43Å; K308-H312 PolarHBondContact O-N 3.26Å
309	A	91.8	Very high	90.9	Very high	28 Å²	28	28 Å²	28	23%	0.231	14%	0.135	C	C	.	.	H	α-helix	trans	-63	-37.8	177.6	0	0	0	0	0	112.1	R305 K306 I307 T313 F857 F859	R305-A309 VanDerWaalsContact O-CB 3.3Å; R305-A309 WeakPolarHBondContact O-CB 3.34Å; R305-A309 PolarHBondContact O-N 3.3Å; K306-A309 PolarHBondContact O-N 3.44Å; I307-A309 VanDerWaalsContact C-N 3.32Å; I307-A309 PolarHBondContact O-N 3.32Å; A309-T313 WeakPolarHBondContact O-CG2 3.47Å; A309-T313 PolarHBondContact O-N 2.77Å; A309-T313 PolarHBondContact O-OG1 3.35Å; A309-F857 HydrophobicContact CB-CE2 3.83Å; A309-F857 HydrophobicContact CB-CZ 4.08Å; A309-F857 WeakPolarHBondContact O-CE2 3.4Å; A309-F859 HydrophobicContact CB-CD1 4.48Å; A309-F859 HydrophobicContact CB-CE1 4.21Å
310	I	93.1	Very high	90.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.8	-47.5	174.3	-64.4	161.1	0	0	0	111.2	Y23 I26 A88 K306 I307 K308 H312 T313 L314 F859	Y23-I310 HydrophobicContact CD2-CG2 3.57Å; Y23-I310 HydrophobicContact CE1-CD1 4.41Å; Y23-I310 HydrophobicContact CE2-CB 4.25Å; Y23-I310 HydrophobicContact CE2-CD1 4.21Å; Y23-I310 HydrophobicContact CE2-CG2 3.76Å; Y23-I310 HydrophobicContact CG-CG2 4.19Å; I26-I310 HydrophobicContact CB-CG2 4.21Å; I26-I310 HydrophobicContact CG2-CB 4.35Å; I26-I310 HydrophobicContact CG2-CG1 4.27Å; I26-I310 HydrophobicContact CG2-CG2 3.92Å; A88-I310 HydrophobicContact CB-CD1 4.09Å; K306-I310 VanDerWaalsContact O-CG1 3.29Å; K306-I310 WeakPolarHBondContact O-CG1 3.5Å; K306-I310 PolarHBondContact O-N 2.95Å; I307-I310 WeakPolarHBondContact O-CB 3.43Å; I307-I310 PolarHBondContact O-N 2.81Å; I307-I310 VanDerWaalsContact O-N 3.17Å; K308-I310 VanDerWaalsContact C-N 3.33Å; K308-I310 PolarHBondContact O-N 3.07Å; I310-H312 VanDerWaalsContact C-N 3.35Å; I310-H312 PolarHBondContact O-N 3.35Å; I310-T313 WeakPolarHBondContact CA-OG1 3.38Å; I310-T313 PolarHBondContact O-N 3.26Å; I310-T313 PolarHBondContact O-OG1 2.68Å; I310-L314 HydrophobicContact CG2-CD1 4.09Å; I310-L314 WeakPolarHBondContact O-CB 3.31Å; I310-L314 WeakPolarHBondContact O-CG 3.28Å; I310-L314 PolarHBondContact O-N 3.49Å; I310-F859 HydrophobicContact CD1-CE1 4.42Å; I310-F859 HydrophobicContact CD1-CZ 3.91Å; I310-F859 HydrophobicContact CG1-CE1 4.03Å; I310-F859 HydrophobicContact CG1-CZ 3.76Å
311	Y	92.9	Very high	90.5	Very high	24 Å²	24	33.6 Å²	33.6	9%	0.094	17%	0.171	C	C	.	.	H	α-helix	trans	-68.8	-34.4	178.4	-71.8	-58.2	0	0	0	113	Y23 F51 E54 I94 I307 K308 L314 N315	Y23-Y311 HydrophobicContact CD2-CE1 4.02Å; Y23-Y311 AromaticContact CD2-CZ 4Å; Y23-Y311 HydrophobicContact CE2-CE1 4.25Å; Y23-Y311 HydrophobicContact CE2-CE2 4.1Å; Y23-Y311 AromaticContact CE2-CZ 3.81Å; F51-Y311 HydrophobicContact CB-CD1 4.24Å; F51-Y311 HydrophobicContact CD1-CD1 4.05Å; F51-Y311 HydrophobicContact CD1-CE1 4.31Å; F51-Y311 HydrophobicContact CG-CD1 4.29Å; E54-Y311 HydrophobicContact CB-CD1 3.94Å; E54-Y311 HydrophobicContact CB-CD2 3.82Å; E54-Y311 HydrophobicContact CB-CE1 4.11Å; E54-Y311 HydrophobicContact CB-CE2 3.96Å; E54-Y311 HydrophobicContact CB-CG 3.82Å; E54-Y311 HydrophobicContact CG-CD1 4.32Å; E54-Y311 HydrophobicContact CG-CE1 4.08Å; E54-Y311 HydrophobicContact CG-CE2 4.46Å; I94-Y311 HydrophobicContact CD1-CE2 3.7Å; I94-Y311 WeakPolarHBondContact CD1-OH 3.46Å; I307-Y311 HydrophobicContact CG2-CD2 3.59Å; I307-Y311 HydrophobicContact CG2-CE2 3.34Å; I307-Y311 WeakPolarHBondContact O-CD2 3.4Å; I307-Y311 PolarHBondContact O-N 3.41Å; K308-Y311 PolarHBondContact O-N 3.29Å; Y311-L314 HydrophobicContact CD1-CD1 3.93Å; Y311-L314 HydrophobicContact CE1-CD1 4.34Å; Y311-L314 PolarHBondContact O-N 2.79Å; Y311-N315 PolarHBondContact O-N 2.78Å; Y311-N315 PolarHBondContact O-ND2 3.08Å
312	H	91.8	Very high	90.4	Very high	105 Å²	105	39.3 Å²	39.3	49%	0.486	21%	0.206	S	C	.	.	H	α-helix	trans	-64.4	-40	173.7	-175.7	-85.4	0	0	0	111.7	K308 I310 N315	K308-H312 VanDerWaalsContact O-CB 3.27Å; K308-H312 WeakPolarHBondContact O-CB 3.43Å; K308-H312 PolarHBondContact O-N 3.26Å; I310-H312 VanDerWaalsContact C-N 3.35Å; I310-H312 PolarHBondContact O-N 3.35Å; H312-N315 WeakPolarHBondContact O-CB 3.38Å; H312-N315 PolarHBondContact O-N 2.96Å
313	T	92.5	Very high	90.2	Very high	6 Å²	6	42.5 Å²	42.5	4%	0.037	23%	0.226	C	C	.	.	H	α-helix	trans	-70.6	-38.5	175	44.4	0	0	0	0	112.8	I26 F37 A309 I310 N315 L316 F857	I26-T313 WeakPolarHBondContact CG2-OG1 3.21Å; F37-T313 HydrophobicContact CD2-CG2 3.76Å; F37-T313 HydrophobicContact CE2-CG2 4.17Å; A309-T313 WeakPolarHBondContact O-CG2 3.47Å; A309-T313 PolarHBondContact O-N 2.77Å; A309-T313 PolarHBondContact O-OG1 3.35Å; I310-T313 WeakPolarHBondContact CA-OG1 3.38Å; I310-T313 PolarHBondContact O-N 3.26Å; I310-T313 PolarHBondContact O-OG1 2.68Å; T313-N315 PolarHBondContact O-N 2.96Å; T313-L316 WeakPolarHBondContact O-CB 3.29Å; T313-L316 PolarHBondContact O-N 3.17Å; T313-F857 HydrophobicContact CG2-CD1 4.3Å; T313-F857 HydrophobicContact CG2-CD2 3.33Å; T313-F857 HydrophobicContact CG2-CE1 4.26Å; T313-F857 HydrophobicContact CG2-CE2 3.26Å; T313-F857 HydrophobicContact CG2-CG 3.85Å; T313-F857 HydrophobicContact CG2-CZ 3.76Å
314	L	92.6	Very high	90.1	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-58	-33.9	171.4	-79.2	169.8	0	0	0	112.8	A22 I26 F51 I310 Y311 L316 F317 M326	A22-L314 HydrophobicContact CB-CD2 3.87Å; I26-L314 HydrophobicContact CD1-CD1 4.45Å; I26-L314 HydrophobicContact CD1-CD2 3.18Å; I26-L314 HydrophobicContact CD1-CG 3.45Å; I26-L314 VanDerWaalsContact CD1-CG 3.45Å; F51-L314 HydrophobicContact CD2-CB 3.69Å; F51-L314 HydrophobicContact CE2-CB 3.78Å; F51-L314 HydrophobicContact CE2-CD1 4.43Å; F51-L314 HydrophobicContact CE2-CD2 4.42Å; F51-L314 HydrophobicContact CE2-CG 4.46Å; F51-L314 HydrophobicContact CG-CB 4.41Å; F51-L314 HydrophobicContact CZ-CD1 4.4Å; I310-L314 HydrophobicContact CG2-CD1 4.09Å; I310-L314 WeakPolarHBondContact O-CB 3.31Å; I310-L314 WeakPolarHBondContact O-CG 3.28Å; I310-L314 PolarHBondContact O-N 3.49Å; Y311-L314 HydrophobicContact CD1-CD1 3.93Å; Y311-L314 HydrophobicContact CE1-CD1 4.34Å; Y311-L314 PolarHBondContact O-N 2.79Å; L314-L316 PolarHBondContact O-N 3.27Å; L314-F317 HydrophobicContact CD2-CD2 4.46Å; L314-F317 PolarHBondContact O-N 2.93Å; L314-M326 HydrophobicContact CD2-CE 3.41Å; L314-M326 VanDerWaalsContact CD2-CE 3.41Å; L314-M326 HydrophobicContact CD2-SD 4.1Å
315	N	92.1	Very high	90.1	Very high	17 Å²	17	46.8 Å²	46.8	9%	0.091	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-10.9	175.1	-84.4	-31.1	0	0	0	114.1	R49 F51 Y311 H312 T313 F317	R49-N315 HydrophobicContact CB-CB 4.31Å; R49-N315 WeakPolarHBondContact CD-O 3.42Å; R49-N315 PolarHBondContact NH1-O 3.18Å; R49-N315 VanDerWaalsContact NH1-O 3.09Å; F51-N315 VanDerWaalsContact CA-OD1 3.32Å; F51-N315 WeakPolarHBondContact CA-OD1 3.37Å; F51-N315 VanDerWaalsContact CB-OD1 3.25Å; F51-N315 WeakPolarHBondContact CB-OD1 3.49Å; F51-N315 PolarHBondContact N-OD1 3.13Å; F51-N315 PolarHBondContact O-ND2 3.4Å; Y311-N315 PolarHBondContact O-N 2.78Å; Y311-N315 PolarHBondContact O-ND2 3.08Å; H312-N315 WeakPolarHBondContact O-CB 3.38Å; H312-N315 PolarHBondContact O-N 2.96Å; T313-N315 PolarHBondContact O-N 2.96Å; N315-F317 VanDerWaalsContact C-N 3.34Å
316	L	91.2	Very high	90.2	Very high	25 Å²	25	45.8 Å²	45.8	13%	0.131	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-11.9	173.5	-61.6	168.2	0	0	0	112.4	F37 D39 T40 T313 L314	F37-L316 HydrophobicContact CB-CD1 3.9Å; D39-L316 HydrophobicContact CB-CD2 3.83Å; T40-L316 PolarHBondContact N-O 2.85Å; T40-L316 PolarHBondContact OG1-O 2.9Å; T313-L316 WeakPolarHBondContact O-CB 3.29Å; T313-L316 PolarHBondContact O-N 3.17Å; L314-L316 PolarHBondContact O-N 3.27Å
317	F	92	Very high	90.3	Very high	14 Å²	14	46.9 Å²	46.9	6%	0.061	25%	0.254	C	S	.	.	S	Bend	trans	-91	146.7	-175.9	-64.4	0.4	0	0	0	111.2	M15 L17 I26 F37 L314 N315 M326 V327	M15-F317 HydrophobicContact CE-CD2 4.5Å; M15-F317 HydrophobicContact CE-CE1 4.37Å; M15-F317 HydrophobicContact CE-CE2 3.34Å; M15-F317 HydrophobicContact CE-CZ 3.27Å; L17-F317 HydrophobicContact CD1-CE2 4.09Å; I26-F317 HydrophobicContact CD1-CE2 3.69Å; I26-F317 HydrophobicContact CD1-CZ 4.06Å; I26-F317 HydrophobicContact CG1-CE2 4.37Å; F37-F317 AromaticContact CD1-CE1 3.43Å; F37-F317 HydrophobicContact CD1-CE1 3.43Å; F37-F317 VanDerWaalsContact CD1-CE1 3.43Å; F37-F317 AromaticContact CD1-CZ 3.67Å; F37-F317 HydrophobicContact CD1-CZ 3.67Å; F37-F317 AromaticContact CE1-CE1 3.76Å; F37-F317 HydrophobicContact CE1-CE1 3.76Å; F37-F317 AromaticContact CE1-CZ 3.45Å; F37-F317 HydrophobicContact CE1-CZ 3.45Å; F37-F317 VanDerWaalsContact CE1-CZ 3.45Å; F37-F317 HydrophobicContact CG-CE1 4.1Å; F37-F317 HydrophobicContact CG-CZ 4.49Å; F37-F317 HydrophobicContact CZ-CZ 4.11Å; L314-F317 HydrophobicContact CD2-CD2 4.46Å; L314-F317 PolarHBondContact O-N 2.93Å; N315-F317 VanDerWaalsContact C-N 3.34Å; F317-M326 HydrophobicContact CB-CB 4.26Å; F317-M326 HydrophobicContact CD2-CB 4.17Å; F317-V327 WeakPolarHBondContact CA-O 3.25Å
318	N	91.7	Very high	90.4	Very high	87 Å²	87	46.9 Å²	46.9	47%	0.465	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	128.4	171.3	-169.5	3.6	0	0	0	109.2	T40 V41 M326 V327	T40-N318 PolarHBondContact OG1-N 3.31Å; V41-N318 HydrophobicContact CG2-CB 3.83Å; N318-M326 WeakPolarHBondContact O-CA 3.44Å; N318-V327 PolarHBondContact N-O 3.33Å; N318-V327 PolarHBondContact O-N 2.83Å
319	L	89	Confident	90.5	Very high	49 Å²	49	46 Å²	46	26%	0.257	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	114.8	174.6	-179.2	82.4	0	0	0	109.2	T19 K50 V321 M326	T19-L319 HydrophobicContact CG2-CD1 3.71Å; K50-L319 HydrophobicContact CD-CD2 3.92Å; L319-V321 HydrophobicContact CD2-CG2 4.19Å; L319-V321 PolarHBondContact O-N 3.36Å; L319-M326 HydrophobicContact CD1-CG 3.53Å; L319-M326 HydrophobicContact CD1-SD 4.2Å
320	D	87.5	Confident	90.6	Very high	58 Å²	58	44.8 Å²	44.8	31%	0.31	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	106	163.8	-180	11.1	0	0	0	109.4	T322 T323 K324 C325	D320-T322 VanDerWaalsContact CG-OG1 3.25Å; D320-T322 PolarHBondContact O-N 3.29Å; D320-T322 WeakPolarHBondContact OD1-CB 3.29Å; D320-T322 PolarHBondContact OD1-N 2.99Å; D320-T322 PolarHBondContact OD1-OG1 2.88Å; D320-T322 PolarHBondContact OD2-OG1 2.91Å; D320-T322 VanDerWaalsContact OD2-OG1 3.09Å; D320-T323 VanDerWaalsContact CG-OG1 3.28Å; D320-T323 WeakPolarHBondContact OD2-CG2 3.4Å; D320-T323 PolarHBondContact OD2-OG1 3.46Å; D320-K324 PolarHBondContact O-N 3.08Å; D320-C325 PolarHBondContact N-O 3.15Å
321	V	81.9	Confident	90.7	Very high	119 Å²	119	45.3 Å²	45.3	72%	0.721	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-28.8	-179.3	-175.9	0	0	0	0	111.2	L319	L319-V321 HydrophobicContact CD2-CG2 4.19Å; L319-V321 PolarHBondContact O-N 3.36Å
322	T	86.6	Confident	90.7	Very high	123 Å²	123	44.1 Å²	44.1	76%	0.755	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-40.8	-174.1	67.8	0	0	0	0	112.5	D320	D320-T322 VanDerWaalsContact CG-OG1 3.25Å; D320-T322 PolarHBondContact O-N 3.29Å; D320-T322 WeakPolarHBondContact OD1-CB 3.29Å; D320-T322 PolarHBondContact OD1-N 2.99Å; D320-T322 PolarHBondContact OD1-OG1 2.88Å; D320-T322 PolarHBondContact OD2-OG1 2.91Å; D320-T322 VanDerWaalsContact OD2-OG1 3.09Å
323	T	83.3	Confident	90.8	Very high	72 Å²	72	39.2 Å²	39.2	44%	0.442	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-7.1	-176.7	56.4	0	0	0	0	113.7	D320 C325	D320-T323 VanDerWaalsContact CG-OG1 3.28Å; D320-T323 WeakPolarHBondContact OD2-CG2 3.4Å; D320-T323 PolarHBondContact OD2-OG1 3.46Å; T323-C325 PolarHBondContact O-N 2.96Å; T323-C325 VanDerWaalsContact O-N 3.16Å; T323-C325 WeakPolarHBondContact OG1-CB 3.41Å; T323-C325 PolarHBondContact OG1-N 2.94Å
324	K	87.5	Confident	90.8	Very high	134 Å²	134	41.8 Å²	41.8	58%	0.583	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	27.9	-167.7	-59.9	-177.2	178	-179.1	0	112.3	H18 T19 D320	H18-K324 PolarHBondContact CD2-O 3.43Å; T19-K324 WeakPolarHBondContact CG2-O 3.48Å; T19-K324 PolarHBondContact N-O 3Å; T19-K324 VanDerWaalsContact N-O 3.11Å; D320-K324 PolarHBondContact O-N 3.08Å
325	C	90.5	Very high	90.7	Very high	33 Å²	33	46.4 Å²	46.4	22%	0.223	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	139.5	173.1	-67.1	0	0	0	0	109.2	L17 D320 T323	L17-C325 CarbonylContact O-C 3.07Å; L17-C325 WeakPolarHBondContact O-CA 3.4Å; D320-C325 PolarHBondContact N-O 3.15Å; T323-C325 PolarHBondContact O-N 2.96Å; T323-C325 VanDerWaalsContact O-N 3.16Å; T323-C325 WeakPolarHBondContact OG1-CB 3.41Å; T323-C325 PolarHBondContact OG1-N 2.94Å
326	M	91.9	Very high	90.7	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.015	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	131.6	168.3	-66.7	-175.3	-57.9	0	0	108.5	L17 T19 A22 F51 L314 F317 N318 L319	L17-M326 PolarHBondContact N-O 2.95Å; L17-M326 PolarHBondContact O-N 3.41Å; T19-M326 HydrophobicContact CG2-CE 4.42Å; T19-M326 HydrophobicContact CG2-CG 4.15Å; T19-M326 HydrophobicContact CG2-SD 4.27Å; A22-M326 HydrophobicContact CB-CE 2.98Å; F51-M326 HydrophobicContact CE2-SD 3.7Å; F51-M326 HydrophobicContact CZ-SD 3.87Å; L314-M326 HydrophobicContact CD2-CE 3.41Å; L314-M326 VanDerWaalsContact CD2-CE 3.41Å; L314-M326 HydrophobicContact CD2-SD 4.1Å; F317-M326 HydrophobicContact CB-CB 4.26Å; F317-M326 HydrophobicContact CD2-CB 4.17Å; N318-M326 WeakPolarHBondContact O-CA 3.44Å; L319-M326 HydrophobicContact CD1-CG 3.53Å; L319-M326 HydrophobicContact CD1-SD 4.2Å
327	V	93	Very high	90.8	Very high	26 Å²	26	45.9 Å²	45.9	16%	0.158	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	114.4	179.8	-173.7	0	0	0	0	107.5	Q14 M15 F16 F317 N318	Q14-V327 HydrophobicContact CG-CG1 3.7Å; Q14-V327 VanDerWaalsContact NE2-CG1 3.26Å; M15-V327 WeakPolarHBondContact O-CA 3.48Å; F16-V327 HydrophobicContact CD1-CG1 4.43Å; F16-V327 HydrophobicContact CD1-CG2 3.76Å; F16-V327 HydrophobicContact CE1-CG1 4.03Å; F16-V327 HydrophobicContact CE1-CG2 3.74Å; F16-V327 HydrophobicContact CZ-CG1 4.42Å; F317-V327 WeakPolarHBondContact CA-O 3.25Å; N318-V327 PolarHBondContact N-O 3.33Å; N318-V327 PolarHBondContact O-N 2.83Å
328	G	92.9	Very high	90.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	145.2	175.4	0	0	0	0	0	110.9	Q14 M15	Q14-G328 CarbonylContact C-O 3.54Å; Q14-G328 WeakPolarHBondContact CA-O 3.49Å; M15-G328 PolarHBondContact N-O 2.84Å; M15-G328 PolarHBondContact O-N 3.46Å
329	E	93.9	Very high	91	Very high	38 Å²	38	52.4 Å²	52.4	18%	0.178	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	140.7	168.3	-71.6	-177.8	-176.2	0	0	109.7	L12 R38 T40	L12-E329 HydrophobicContact CD1-CB 4.35Å; R38-E329 HydrophobicContact CB-CB 4.19Å; R38-E329 WeakPolarHBondContact CD-OE2 3.49Å; R38-E329 IonicContact CZ-OE2 3.82Å; R38-E329 PolarHBondContact N-O 2.97Å; R38-E329 IonicContact NE-OE2 3.45Å; R38-E329 IonicContact NH1-OE2 2.75Å; R38-E329 PolarHBondContact NH1-OE2 3.45Å; T40-E329 HydrophobicContact CG2-CB 3.86Å; T40-E329 HydrophobicContact CG2-CG 3.85Å
330	C	94.3	Very high	91.2	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.014	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	149.7	177.4	65.6	0	0	0	0	113.5	S13 V35 Q36 F37	S13-C330 PolarHBondContact N-O 3.26Å; S13-C330 PolarHBondContact O-N 3.32Å; V35-C330 HydrophobicContact CG1-CB 3.23Å; V35-C330 WeakPolarHBondContact CG1-SG 3.38Å; Q36-C330 CarbonylContact O-C 3.58Å; Q36-C330 WeakPolarHBondContact O-CA 3.18Å; Q36-C330 WeakPolarHBondContact O-CB 3.37Å; F37-C330 HydrophobicContact CD1-CB 3.8Å; F37-C330 HydrophobicContact CE1-CB 4.12Å
331	W	95.2	Very high	91.5	Very high	11 Å²	11	49.7 Å²	49.7	4%	0.042	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	130	169.1	-69.6	108	0	0	0	109.7	M10 L12 Q36 T364 P368 P369 F854	M10-W331 HydrophobicContact CB-CE3 4.11Å; M10-W331 HydrophobicContact CB-CZ3 4.44Å; L12-W331 HydrophobicContact CB-CD2 4.49Å; L12-W331 HydrophobicContact CB-CE3 4.02Å; L12-W331 HydrophobicContact CB-CH2 3.89Å; L12-W331 HydrophobicContact CB-CZ2 4.34Å; L12-W331 HydrophobicContact CB-CZ3 3.7Å; L12-W331 HydrophobicContact CD1-CD2 4.05Å; L12-W331 HydrophobicContact CD1-CE3 4.41Å; L12-W331 HydrophobicContact CD1-CZ2 4.13Å; Q36-W331 HydrophobicContact CB-CB 4.34Å; Q36-W331 PolarHBondContact N-O 2.66Å; Q36-W331 PolarHBondContact O-N 3.19Å; W331-T364 HydrophobicContact CH2-CG2 3.45Å; W331-T364 VanDerWaalsContact CH2-CG2 3.45Å; W331-T364 HydrophobicContact CZ2-CG2 4.1Å; W331-T364 HydrophobicContact CZ3-CG2 4.28Å; W331-P368 HydrophobicContact CE3-CB 4.01Å; W331-P368 HydrophobicContact CH2-CB 3.74Å; W331-P368 HydrophobicContact CH2-CG 3.69Å; W331-P368 HydrophobicContact CZ2-CB 4.35Å; W331-P368 HydrophobicContact CZ3-CB 3.56Å; W331-P368 HydrophobicContact CZ3-CG 3.72Å; W331-P369 HydrophobicContact CB-CG 3.79Å; W331-P369 VanDerWaalsContact CD2-CD 3.49Å; W331-P369 HydrophobicContact CD2-CG 4.23Å; W331-P369 HydrophobicContact CG-CG 3.76Å; W331-F854 HydrophobicContact CB-CE2 4.33Å
332	C	93.6	Very high	92	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	150.9	171.9	56.9	0	0	0	0	110.4	M10 Q11 S13 I340	M10-C332 WeakPolarHBondContact CA-O 3.44Å; Q11-C332 PolarHBondContact N-O 3.09Å; Q11-C332 PolarHBondContact O-N 3.34Å; Q11-C332 VanDerWaalsContact O-N 3.15Å; S13-C332 PolarHBondContact OG-SG 3.11Å; C332-I340 HydrophobicContact CB-CD1 3.32Å
333	A	93.2	Very high	92.3	Very high	2 Å²	2	42.6 Å²	42.6	2%	0.017	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	136.2	170.6	0	0	0	0	0	109.9	E9 M10 N335 D336 V337	E9-A333 CarbonylContact O-C 3.56Å; E9-A333 WeakPolarHBondContact O-CA 3.37Å; M10-A333 HydrophobicContact SD-CB 4Å; A333-N335 PolarHBondContact O-N 3.12Å; A333-N335 VanDerWaalsContact O-N 3.14Å; A333-D336 HydrophobicContact CB-CB 4.43Å; A333-D336 PolarHBondContact O-N 3.42Å; A333-V337 PolarHBondContact O-N 3.4Å
334	V	92.3	Very high	92.7	Very high	60 Å²	60	39.3 Å²	39.3	36%	0.364	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-55	-36.3	179.5	176.4	0	0	0	0	111.1	E9 Q11 D336 V337	E9-V334 HydrophobicContact CB-CB 4.43Å; E9-V334 HydrophobicContact CB-CG2 4.04Å; E9-V334 WeakPolarHBondContact O-CG2 3.45Å; E9-V334 PolarHBondContact O-N 3.05Å; Q11-V334 HydrophobicContact CB-CG2 3.88Å; V334-D336 VanDerWaalsContact C-N 3.26Å; V334-D336 PolarHBondContact O-N 2.72Å; V334-V337 WeakPolarHBondContact O-CG2 3.31Å
335	N	91.5	Very high	93	Very high	101 Å²	101	40.3 Å²	40.3	54%	0.54	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-69.5	-16.5	179.1	-70.2	-33.4	0	0	0	114.4	E8 A333	E8-N335 PolarHBondContact OE2-ND2 3.31Å; A333-N335 PolarHBondContact O-N 3.12Å; A333-N335 VanDerWaalsContact O-N 3.14Å
336	D	92	Very high	93	Very high	4 Å²	4	45 Å²	45	2%	0.021	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-111.1	1.9	-174	-67.4	-48.2	0	0	0	113.2	L34 A333 V334 D338 K339 I340 R373	L34-D336 HydrophobicContact CD1-CB 3.84Å; A333-D336 HydrophobicContact CB-CB 4.43Å; A333-D336 PolarHBondContact O-N 3.42Å; V334-D336 VanDerWaalsContact C-N 3.26Å; V334-D336 PolarHBondContact O-N 2.72Å; D336-D338 VanDerWaalsContact C-N 3.29Å; D336-D338 PolarHBondContact O-N 3.49Å; D336-K339 WeakPolarHBondContact O-CB 3.41Å; D336-K339 PolarHBondContact O-N 3.5Å; D336-K339 WeakPolarHBondContact OD1-CE 3.12Å; D336-K339 IonicContact OD1-NZ 2.64Å; D336-K339 PolarHBondContact OD1-NZ 3.19Å; D336-I340 WeakPolarHBondContact O-CG1 3.44Å; D336-I340 PolarHBondContact O-N 3.24Å; D336-I340 VanDerWaalsContact O-N 3.13Å; D336-R373 VanDerWaalsContact CG-NH2 3.26Å; D336-R373 IonicContact OD1-NH2 3.26Å; D336-R373 PolarHBondContact OD1-NH2 2.81Å; D336-R373 IonicContact OD2-CZ 2.65Å; D336-R373 IonicContact OD2-NH2 3.24Å; D336-R373 PolarHBondContact OD2-NH2 3.16Å
337	V	92.7	Very high	92.9	Very high	27 Å²	27	44.8 Å²	44.8	16%	0.164	22%	0.215	C	C	.	.	H	α-helix	trans	-55.8	-41	179.5	176	0	0	0	0	112.2	A333 V334 K339 I340 N341 L359	A333-V337 PolarHBondContact O-N 3.4Å; V334-V337 WeakPolarHBondContact O-CG2 3.31Å; V337-K339 VanDerWaalsContact C-N 3.32Å; V337-K339 PolarHBondContact O-N 3.41Å; V337-I340 PolarHBondContact O-N 2.76Å; V337-N341 PolarHBondContact O-N 3.05Å; V337-N341 PolarHBondContact O-ND2 3.38Å; V337-L359 HydrophobicContact CG1-CD2 4.08Å
338	D	93.6	Very high	92.8	Very high	132 Å²	132	44.8 Å²	44.8	71%	0.706	21%	0.214	S	C	*	.	H	α-helix	trans	-64.6	-36	178.8	-69.5	-30.7	0	0	0	112.7	D336 N341 L342	D336-D338 VanDerWaalsContact C-N 3.29Å; D336-D338 PolarHBondContact O-N 3.49Å; D338-N341 PolarHBondContact O-N 3.3Å; D338-L342 PolarHBondContact O-N 3.2Å
339	K	93.7	Very high	92.7	Very high	106 Å²	106	51.2 Å²	51.2	46%	0.461	24%	0.244	S	C	.	.	H	α-helix	trans	-69.4	-38.3	177.3	-60.8	176.9	-174.3	159.2	0	111.1	L32 L34 D336 V337 L342 A343	L32-K339 HydrophobicContact CD1-CB 4.19Å; L34-K339 HydrophobicContact CD1-CD 4.06Å; D336-K339 WeakPolarHBondContact O-CB 3.41Å; D336-K339 PolarHBondContact O-N 3.5Å; D336-K339 WeakPolarHBondContact OD1-CE 3.12Å; D336-K339 IonicContact OD1-NZ 2.64Å; D336-K339 PolarHBondContact OD1-NZ 3.19Å; V337-K339 VanDerWaalsContact C-N 3.32Å; V337-K339 PolarHBondContact O-N 3.41Å; K339-L342 PolarHBondContact O-N 3.21Å; K339-A343 PolarHBondContact O-N 3.13Å
340	I	93.9	Very high	92.4	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-64.3	-46.6	175.6	-64.2	164.5	0	0	0	109.7	L29 L32 V35 C332 D336 V337 L342 A343 L344 L359	L29-I340 HydrophobicContact CD2-CG2 3.75Å; L32-I340 HydrophobicContact CD2-CG1 4.3Å; V35-I340 HydrophobicContact CG2-CD1 3.57Å; V35-I340 HydrophobicContact CG2-CG1 3.79Å; V35-I340 HydrophobicContact CG2-CG2 4.17Å; C332-I340 HydrophobicContact CB-CD1 3.32Å; D336-I340 WeakPolarHBondContact O-CG1 3.44Å; D336-I340 PolarHBondContact O-N 3.24Å; D336-I340 VanDerWaalsContact O-N 3.13Å; V337-I340 PolarHBondContact O-N 2.76Å; I340-L342 VanDerWaalsContact C-N 3.29Å; I340-L342 PolarHBondContact O-N 2.7Å; I340-A343 PolarHBondContact O-N 3.36Å; I340-A343 VanDerWaalsContact O-N 3.16Å; I340-L344 HydrophobicContact CG2-CD1 4.27Å; I340-L344 WeakPolarHBondContact O-CG 3.48Å; I340-L344 PolarHBondContact O-N 3.1Å; I340-L359 HydrophobicContact CB-CD2 4.35Å; I340-L359 HydrophobicContact CG2-CD2 3.79Å
341	N	93.1	Very high	92	Very high	49 Å²	49	56.2 Å²	56.2	26%	0.262	27%	0.266	S	S	.	.	H	α-helix	trans	-59.3	-38.8	175.2	-79.8	-35.9	0	0	0	112.5	V337 D338 R345	V337-N341 PolarHBondContact O-N 3.05Å; V337-N341 PolarHBondContact O-ND2 3.38Å; D338-N341 PolarHBondContact O-N 3.3Å; N341-R345 WeakPolarHBondContact O-CG 3.46Å; N341-R345 PolarHBondContact O-N 3.38Å
342	L	93.9	Very high	91.5	Very high	89 Å²	89	63 Å²	63	47%	0.466	30%	0.303	S	S	.	.	H	α-helix	trans	-65.1	-43	174.8	-176.4	65.1	0	0	0	112.2	D338 K339 I340 R345 R346	D338-L342 PolarHBondContact O-N 3.2Å; K339-L342 PolarHBondContact O-N 3.21Å; I340-L342 VanDerWaalsContact C-N 3.29Å; I340-L342 PolarHBondContact O-N 2.7Å; L342-R345 PolarHBondContact O-N 3.16Å; L342-R346 WeakPolarHBondContact O-CG 3.28Å; L342-R346 PolarHBondContact O-N 3.28Å
343	A	92.3	Very high	91	Very high	4 Å²	4	64.7 Å²	64.7	3%	0.033	32%	0.315	C	S	.	.	H	α-helix	trans	-64.4	-41.1	176.5	0	0	0	0	0	112.2	E28 L29 L32 K339 I340 R345 R346 G347	E28-A343 HydrophobicContact CB-CB 4.29Å; L29-A343 HydrophobicContact CD2-CB 4.26Å; L32-A343 HydrophobicContact CD1-CB 4.03Å; K339-A343 PolarHBondContact O-N 3.13Å; I340-A343 PolarHBondContact O-N 3.36Å; I340-A343 VanDerWaalsContact O-N 3.16Å; A343-R345 VanDerWaalsContact C-N 3.31Å; A343-R345 PolarHBondContact O-N 3.32Å; A343-R346 WeakPolarHBondContact O-CB 3.37Å; A343-R346 PolarHBondContact O-N 3.42Å; A343-G347 PolarHBondContact O-N 3.04Å
344	L	92.8	Very high	90.6	Very high	2 Å²	2	70.9 Å²	70.9	1%	0.01	35%	0.352	C	S	.	.	H	α-helix	trans	-60	-40.9	173.8	-73.3	177.7	0	0	0	112	M15 L17 C25 L29 I340 G347 M348 P357 L359	M15-L344 HydrophobicContact SD-CD1 4.42Å; M15-L344 HydrophobicContact SD-CD2 3.84Å; L17-L344 HydrophobicContact CD2-CD2 4.14Å; C25-L344 HydrophobicContact CB-CD2 3.81Å; L29-L344 HydrophobicContact CD1-CD2 3.91Å; L29-L344 HydrophobicContact CD2-CD2 4.37Å; L29-L344 HydrophobicContact CD2-CG 4.39Å; L29-L344 HydrophobicContact CG-CD2 4.19Å; I340-L344 HydrophobicContact CG2-CD1 4.27Å; I340-L344 WeakPolarHBondContact O-CG 3.48Å; I340-L344 PolarHBondContact O-N 3.1Å; L344-G347 PolarHBondContact O-N 3.23Å; L344-M348 PolarHBondContact O-N 2.97Å; L344-P357 HydrophobicContact CB-CB 4.18Å; L344-P357 HydrophobicContact CB-CG 3.7Å; L344-P357 HydrophobicContact CD1-CB 4.44Å; L344-P357 HydrophobicContact CD2-CB 4.34Å; L344-L359 HydrophobicContact CD1-CB 4.19Å
345	R	91.9	Very high	90.1	Very high	155 Å²	155	71.5 Å²	71.5	59%	0.585	35%	0.354	S	S	*	.	H	α-helix	trans	-63.8	-41.8	174	-72.1	176.1	-172.5	-171.4	3.7	112.4	N341 L342 A343 G347 M348 E349	N341-R345 WeakPolarHBondContact O-CG 3.46Å; N341-R345 PolarHBondContact O-N 3.38Å; L342-R345 PolarHBondContact O-N 3.16Å; A343-R345 VanDerWaalsContact C-N 3.31Å; A343-R345 PolarHBondContact O-N 3.32Å; R345-G347 VanDerWaalsContact C-N 3.34Å; R345-G347 PolarHBondContact O-N 3.32Å; R345-M348 HydrophobicContact CB-CE 4.37Å; R345-M348 HydrophobicContact CG-CE 4.08Å; R345-M348 WeakPolarHBondContact O-CB 3.35Å; R345-M348 PolarHBondContact O-N 3.46Å; R345-E349 WeakPolarHBondContact O-CG 3.41Å; R345-E349 PolarHBondContact O-N 2.97Å
346	R	91.6	Very high	89.9	Confident	131 Å²	131	74.2 Å²	74.2	49%	0.494	36%	0.363	S	S	.	.	H	α-helix	trans	-61.3	-41.1	174.4	-71.2	177.1	179.8	178.4	-0.4	112.2	E28 L342 A343 M348 E349 R350	E28-R346 HydrophobicContact CG-CB 4.32Å; L342-R346 WeakPolarHBondContact O-CG 3.28Å; L342-R346 PolarHBondContact O-N 3.28Å; A343-R346 WeakPolarHBondContact O-CB 3.37Å; A343-R346 PolarHBondContact O-N 3.42Å; R346-M348 VanDerWaalsContact C-N 3.33Å; R346-M348 PolarHBondContact O-N 3.3Å; R346-E349 PolarHBondContact O-N 3.49Å; R346-R350 WeakPolarHBondContact O-CG 3.36Å; R346-R350 PolarHBondContact O-N 3.45Å
347	G	90.2	Very high	89.8	Confident	0 Å²	0	75 Å²	75	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-63	-39	176	0	0	0	0	0	112.6	A343 L344 R345 S351	A343-G347 PolarHBondContact O-N 3.04Å; L344-G347 PolarHBondContact O-N 3.23Å; R345-G347 VanDerWaalsContact C-N 3.34Å; R345-G347 PolarHBondContact O-N 3.32Å; G347-S351 PolarHBondContact O-N 3.45Å; G347-S351 VanDerWaalsContact O-N 3.16Å
348	M	90.7	Very high	89.7	Confident	25 Å²	25	78.5 Å²	78.5	12%	0.123	39%	0.385	C	S	.	.	H	α-helix	trans	-62.7	-48.8	171.9	170.2	178.3	28.6	0	0	111.7	I21 L344 R345 R346 R350 S351 N352 S353 Q356 P357	I21-M348 HydrophobicContact CG2-CB 4.43Å; L344-M348 PolarHBondContact O-N 2.97Å; R345-M348 HydrophobicContact CB-CE 4.37Å; R345-M348 HydrophobicContact CG-CE 4.08Å; R345-M348 WeakPolarHBondContact O-CB 3.35Å; R345-M348 PolarHBondContact O-N 3.46Å; R346-M348 VanDerWaalsContact C-N 3.33Å; R346-M348 PolarHBondContact O-N 3.3Å; M348-R350 PolarHBondContact O-N 2.95Å; M348-S351 PolarHBondContact O-N 3.34Å; M348-S351 VanDerWaalsContact O-N 3.12Å; M348-S351 PolarHBondContact O-OG 3.25Å; M348-N352 PolarHBondContact O-N 3.45Å; M348-S353 WeakPolarHBondContact CG-O 3.27Å; M348-Q356 HydrophobicContact CE-CG 4.24Å; M348-Q356 HydrophobicContact SD-CB 4.44Å; M348-Q356 HydrophobicContact SD-CG 4Å; M348-P357 VanDerWaalsContact CE-CD 3.41Å; M348-P357 HydrophobicContact CE-CG 4.23Å
349	E	90.7	Very high	89.6	Confident	135 Å²	135	73.5 Å²	73.5	63%	0.631	36%	0.358	S	S	*	.	H	α-helix	trans	-59.2	-44.1	178	-72.5	170	-172.4	0	0	111.8	R345 R346 S351 N352	R345-E349 WeakPolarHBondContact O-CG 3.41Å; R345-E349 PolarHBondContact O-N 2.97Å; R346-E349 PolarHBondContact O-N 3.49Å; E349-S351 VanDerWaalsContact C-N 3.25Å; E349-S351 PolarHBondContact O-N 3.35Å; E349-N352 PolarHBondContact O-N 2.88Å; E349-N352 VanDerWaalsContact O-N 3.09Å
350	R	87.6	Confident	89.6	Confident	112 Å²	112	72.7 Å²	72.7	42%	0.423	36%	0.359	S	S	.	.	H	α-helix	trans	-62.3	-30.8	176.4	-75.4	-179.6	172.2	-153.8	-9.9	113.1	E28 E87 R346 M348 N352	E28-R350 VanDerWaalsContact OE1-CD 3.29Å; E28-R350 WeakPolarHBondContact OE1-CD 3.24Å; E28-R350 IonicContact OE1-CZ 2.78Å; E28-R350 IonicContact OE1-NE 3.96Å; E28-R350 PolarHBondContact OE1-NE 2.89Å; E28-R350 VanDerWaalsContact OE1-NE 3.12Å; E28-R350 IonicContact OE1-NH1 3.11Å; E28-R350 PolarHBondContact OE1-NH1 3.25Å; E28-R350 IonicContact OE1-NH2 3.82Å; E87-R350 IonicContact OE1-NH2 3.84Å; E87-R350 IonicContact OE2-CZ 2.87Å; E87-R350 IonicContact OE2-NH1 3.16Å; E87-R350 PolarHBondContact OE2-NH1 3.28Å; E87-R350 IonicContact OE2-NH2 3.87Å; E87-R350 PolarHBondContact OE2-NH2 2.98Å; R346-R350 WeakPolarHBondContact O-CG 3.36Å; R346-R350 PolarHBondContact O-N 3.45Å; M348-R350 PolarHBondContact O-N 2.95Å; R350-N352 VanDerWaalsContact C-N 3.3Å
351	S	85.7	Confident	89.5	Confident	33 Å²	33	74.1 Å²	74.1	23%	0.231	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-8.1	177.3	74.7	0	0	0	0	114.2	G347 M348 E349 S353	G347-S351 PolarHBondContact O-N 3.45Å; G347-S351 VanDerWaalsContact O-N 3.16Å; M348-S351 PolarHBondContact O-N 3.34Å; M348-S351 VanDerWaalsContact O-N 3.12Å; M348-S351 PolarHBondContact O-OG 3.25Å; E349-S351 VanDerWaalsContact C-N 3.25Å; E349-S351 PolarHBondContact O-N 3.35Å; S351-S353 PolarHBondContact O-N 3.5Å; S351-S353 WeakPolarHBondContact OG-CB 3.46Å; S351-S353 PolarHBondContact OG-N 3.49Å
352	N	85.6	Confident	89.4	Confident	155 Å²	155	74.2 Å²	74.2	83%	0.829	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	29.8	-170.8	-66.6	-53.3	0	0	0	113.7	M348 E349 R350	M348-N352 PolarHBondContact O-N 3.45Å; E349-N352 PolarHBondContact O-N 2.88Å; E349-N352 VanDerWaalsContact O-N 3.09Å; R350-N352 VanDerWaalsContact C-N 3.3Å
353	S	81.6	Confident	89.2	Confident	34 Å²	34	77 Å²	77	24%	0.238	39%	0.394	C	S	.	.			trans	-102.7	149	179.2	-172.1	0	0	0	0	111.2	I21 M348 S351	I21-S353 VanDerWaalsContact CD1-CB 3.48Å; I21-S353 WeakPolarHBondContact CD1-OG 3.31Å; M348-S353 WeakPolarHBondContact CG-O 3.27Å; S351-S353 PolarHBondContact O-N 3.5Å; S351-S353 WeakPolarHBondContact OG-CB 3.46Å; S351-S353 PolarHBondContact OG-N 3.49Å
354	T	84.9	Confident	89	Confident	132 Å²	132	78.9 Å²	78.9	81%	0.81	41%	0.405	S	S	*	.			trans	-90.4	-3.1	178.7	56.1	0	0	0	0	113.2	Q356	T354-Q356 PolarHBondContact O-N 3.33Å
355	L	83.2	Confident	88.7	Confident	74 Å²	74	85.8 Å²	85.8	39%	0.387	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-80.9	121.2	-176.7	-50.6	169.1	0	0	0	110.3	H18 I21	H18-L355 HydrophobicContact CB-CD1 3.62Å; I21-L355 HydrophobicContact CD1-CB 3.72Å; I21-L355 WeakPolarHBondContact CD1-O 3.38Å
356	Q	85.9	Confident	88.5	Confident	157 Å²	157	82.3 Å²	82.3	73%	0.734	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-80	126.3	-179	-66.9	-172.3	-17.3	0	0	111.4	M348 T354	M348-Q356 HydrophobicContact CE-CG 4.24Å; M348-Q356 HydrophobicContact SD-CB 4.44Å; M348-Q356 HydrophobicContact SD-CG 4Å; T354-Q356 PolarHBondContact O-N 3.33Å
357	P	90.2	Very high	88.2	Confident	22 Å²	22	82.2 Å²	82.2	14%	0.143	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-68.4	135.4	168.4	29.8	-32	0	0	0	109.1	L17 L344 M348	L17-P357 HydrophobicContact CD2-CB 3.56Å; L344-P357 HydrophobicContact CB-CB 4.18Å; L344-P357 HydrophobicContact CB-CG 3.7Å; L344-P357 HydrophobicContact CD1-CB 4.44Å; L344-P357 HydrophobicContact CD2-CB 4.34Å; M348-P357 VanDerWaalsContact CE-CD 3.41Å; M348-P357 HydrophobicContact CE-CG 4.23Å
358	I	91	Very high	88.3	Confident	99 Å²	99	83.1 Å²	83.1	51%	0.508	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.5	-178.9	-56.7	171.5	0	0	0	108.2	M15 F16	M15-I358 WeakPolarHBondContact CA-O 3.29Å; F16-I358 HydrophobicContact CB-CB 4.29Å; F16-I358 HydrophobicContact CD2-CB 4.34Å; F16-I358 HydrophobicContact CD2-CG2 4.42Å; F16-I358 PolarHBondContact N-O 3.11Å; F16-I358 PolarHBondContact O-N 3.43Å
359	L	92.3	Very high	88.5	Confident	28 Å²	28	82 Å²	82	15%	0.147	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	115	170.3	-173.6	72.1	0	0	0	108.1	Q14 M15 V337 I340 L344	Q14-L359 WeakPolarHBondContact O-CA 3.29Å; M15-L359 HydrophobicContact CB-CD1 4.27Å; V337-L359 HydrophobicContact CG1-CD2 4.08Å; I340-L359 HydrophobicContact CB-CD2 4.35Å; I340-L359 HydrophobicContact CG2-CD2 3.79Å; L344-L359 HydrophobicContact CD1-CB 4.19Å
360	N	92.4	Very high	88.5	Confident	89 Å²	89	75.9 Å²	75.9	48%	0.476	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	133	-179.6	-173.1	27.7	0	0	0	110.9	S13 Q14	S13-N360 CarbonylContact C-O 3.37Å; S13-N360 VanDerWaalsContact CA-O 3.28Å; S13-N360 WeakPolarHBondContact CA-O 3.38Å; Q14-N360 PolarHBondContact N-O 3.01Å; Q14-N360 PolarHBondContact O-N 2.75Å
361	G	92.1	Very high	88.7	Confident	31 Å²	31	73.4 Å²	73.4	32%	0.32	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	127	176.3	0	0	0	0	0	112.7	Q11	Q11-G361 VanDerWaalsContact NE2-CA 3.28Å
362	I	91.4	Very high	88.9	Confident	52 Å²	52	72.7 Å²	72.7	27%	0.267	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	143	174.1	-60.8	173.9	0	0	0	109.9	L12 Q14	L12-I362 HydrophobicContact CD2-CB 4.43Å; L12-I362 PolarHBondContact O-N 2.86Å; Q14-I362 HydrophobicContact CB-CD1 3.56Å; Q14-I362 HydrophobicContact CB-CG1 4.13Å; Q14-I362 HydrophobicContact CG-CD1 4.06Å
363	V	88.4	Confident	89.1	Confident	147 Å²	147	68.9 Å²	68.9	89%	0.891	38%	0.378	S	S	*	.			trans	-86.4	121.1	166.9	-177.3	0	0	0	0	108.7
364	T	87.9	Confident	89.4	Confident	44 Å²	44	69.7 Å²	69.7	27%	0.27	38%	0.381	S	S	.	.			trans	-121.4	154	178.1	-177.4	0	0	0	0	111.2	L12 W331 E366	L12-T364 HydrophobicContact CB-CG2 3.85Å; L12-T364 HydrophobicContact CD2-CG2 3.79Å; L12-T364 HydrophobicContact CG-CG2 4.44Å; W331-T364 HydrophobicContact CH2-CG2 3.45Å; W331-T364 VanDerWaalsContact CH2-CG2 3.45Å; W331-T364 HydrophobicContact CZ2-CG2 4.1Å; W331-T364 HydrophobicContact CZ3-CG2 4.28Å; T364-E366 HydrophobicContact CG2-CB 4.46Å; T364-E366 PolarHBondContact OG1-N 2.81Å; T364-E366 VanDerWaalsContact OG1-N 3.11Å
365	T	86.7	Confident	89.6	Confident	147 Å²	147	69.1 Å²	69.1	90%	0.902	37%	0.373	S	S	*	.	S	Bend	trans	-89.7	-7.6	170.7	50.8	0	0	0	0	112.7
366	E	87.5	Confident	89.8	Confident	81 Å²	81	72.1 Å²	72.1	38%	0.379	38%	0.383	S	S	.	.	S	Bend	trans	-71.9	146.6	178.7	-65.7	179.2	-170.9	0	0	111.5	R38 T364 P368	R38-E366 IonicContact CZ-OE1 2.68Å; R38-E366 IonicContact CZ-OE2 3.57Å; R38-E366 VanDerWaalsContact CZ-OE2 3.24Å; R38-E366 IonicContact NE-OE2 3.05Å; R38-E366 IonicContact NH1-OE1 3.17Å; R38-E366 PolarHBondContact NH1-OE1 2.9Å; R38-E366 IonicContact NH1-OE2 3.4Å; R38-E366 PolarHBondContact NH1-OE2 3.41Å; R38-E366 IonicContact NH2-OE1 2.73Å; R38-E366 PolarHBondContact NH2-OE1 2.68Å; R38-E366 IonicContact NH2-OE2 2.85Å; R38-E366 PolarHBondContact NH2-OE2 3.12Å; T364-E366 HydrophobicContact CG2-CB 4.46Å; T364-E366 PolarHBondContact OG1-N 2.81Å; T364-E366 VanDerWaalsContact OG1-N 3.11Å; E366-P368 VanDerWaalsContact O-CD 3.31Å; E366-P368 WeakPolarHBondContact O-CD 3.21Å
367	N	87.3	Confident	90	Very high	130 Å²	130	67.8 Å²	67.8	70%	0.695	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-69.4	123.1	177.2	-69.7	-27.4	0	0	0	109.4	Y852	N367-Y852 WeakPolarHBondContact O-CE1 3.42Å; N367-Y852 PolarHBondContact O-OH 3.43Å
368	P	92.2	Very high	90	Very high	19 Å²	19	67.6 Å²	67.6	12%	0.123	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-70.8	160.9	176.5	-18.6	32.4	0	0	0	113	M10 W331 E366 Y393	M10-P368 HydrophobicContact CB-CB 3.71Å; M10-P368 HydrophobicContact CG-CB 4.29Å; W331-P368 HydrophobicContact CE3-CB 4.01Å; W331-P368 HydrophobicContact CH2-CB 3.74Å; W331-P368 HydrophobicContact CH2-CG 3.69Å; W331-P368 HydrophobicContact CZ2-CB 4.35Å; W331-P368 HydrophobicContact CZ3-CB 3.56Å; W331-P368 HydrophobicContact CZ3-CG 3.72Å; E366-P368 VanDerWaalsContact O-CD 3.31Å; E366-P368 WeakPolarHBondContact O-CD 3.21Å; P368-Y393 HydrophobicContact CB-CD1 4.31Å; P368-Y393 HydrophobicContact CB-CD2 3.86Å; P368-Y393 HydrophobicContact CB-CE1 4.31Å; P368-Y393 HydrophobicContact CB-CE2 3.9Å; P368-Y393 HydrophobicContact CB-CG 4.07Å; P368-Y393 HydrophobicContact CG-CD1 3.81Å; P368-Y393 HydrophobicContact CG-CD2 4.26Å; P368-Y393 HydrophobicContact CG-CE1 3.7Å; P368-Y393 HydrophobicContact CG-CE2 4.2Å; P368-Y393 HydrophobicContact CG-CG 4.08Å
369	P	93.2	Very high	89.9	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-66.2	150.6	171.6	24.2	-29.9	0	0	0	112.1	M10 W331 Y852 F854	M10-P369 HydrophobicContact CE-CG 3.96Å; M10-P369 HydrophobicContact CG-CG 4.44Å; M10-P369 WeakPolarHBondContact CG-O 3.46Å; W331-P369 HydrophobicContact CB-CG 3.79Å; W331-P369 VanDerWaalsContact CD2-CD 3.49Å; W331-P369 HydrophobicContact CD2-CG 4.23Å; W331-P369 HydrophobicContact CG-CG 3.76Å; P369-Y852 HydrophobicContact CB-CD2 3.95Å; P369-Y852 HydrophobicContact CB-CE2 3.45Å; P369-Y852 VanDerWaalsContact CB-CE2 3.45Å; P369-Y852 WeakPolarHBondContact CD-OH 3.46Å; P369-Y852 HydrophobicContact CG-CE2 4.19Å; P369-F854 HydrophobicContact CB-CB 3.98Å; P369-F854 HydrophobicContact CB-CD2 4.11Å; P369-F854 HydrophobicContact CG-CB 4.5Å; P369-F854 HydrophobicContact CG-CD2 3.77Å
370	T	92	Very high	89.8	Confident	7 Å²	7	68.3 Å²	68.3	4%	0.043	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-89.6	120.6	176.3	-60.2	0	0	0	0	110.2	H372 V390 A391 Y393 Y852 F854	T370-H372 WeakPolarHBondContact CG2-NE2 3.29Å; T370-V390 HydrophobicContact CG2-CG1 4.5Å; T370-A391 WeakPolarHBondContact CB-O 3.33Å; T370-A391 HydrophobicContact CG2-CB 4.05Å; T370-A391 PolarHBondContact OG1-O 3.2Å; T370-Y393 PolarHBondContact OG1-N 2.86Å; T370-Y852 PolarHBondContact N-O 3.35Å; T370-F854 PolarHBondContact O-N 3.05Å
371	Y	91.6	Very high	89.8	Confident	60 Å²	60	64.1 Å²	64.1	24%	0.235	34%	0.335	C	S	.	.			trans	-122.1	124.9	175.2	-179.8	-131.2	0	0	0	111.6	S7 E8 M10 R373 F854	S7-Y371 CarbonylContact C-O 3.28Å; S7-Y371 VanDerWaalsContact CA-O 3.31Å; S7-Y371 WeakPolarHBondContact CA-O 3.37Å; E8-Y371 HydrophobicContact CB-CD1 4Å; E8-Y371 HydrophobicContact CG-CD1 3.89Å; E8-Y371 HydrophobicContact CG-CE1 4.35Å; E8-Y371 PolarHBondContact N-O 3.13Å; M10-Y371 VanDerWaalsContact CE-CB 3.46Å; M10-Y371 HydrophobicContact CE-CG 4.26Å; Y371-R373 HydrophobicContact CD1-CG 4.41Å; Y371-R373 HydrophobicContact CE1-CG 3.62Å; Y371-F854 HydrophobicContact CD1-CD1 4.42Å; Y371-F854 HydrophobicContact CD2-CB 4.22Å; Y371-F854 AromaticContact CD2-CD1 3.64Å; Y371-F854 HydrophobicContact CD2-CD1 3.64Å; Y371-F854 HydrophobicContact CD2-CE1 4.49Å; Y371-F854 HydrophobicContact CD2-CG 4.34Å; Y371-F854 HydrophobicContact CE2-CD1 4.17Å; Y371-F854 HydrophobicContact CG-CB 4.27Å; Y371-F854 AromaticContact CG-CD1 3.79Å; Y371-F854 HydrophobicContact CG-CD1 3.79Å; Y371-F854 HydrophobicContact CG-CG 4.3Å
372	H	90.6	Very high	89.8	Confident	18 Å²	18	63 Å²	63	8%	0.083	32%	0.321	C	S	.	.			trans	-114.7	125	171.2	-62.6	-58.8	0	0	0	109.5	S7 T370 T374 Q382	S7-H372 PolarHBondContact N-CE1 2.93Å; T370-H372 WeakPolarHBondContact CG2-NE2 3.29Å; H372-T374 PolarHBondContact O-N 3.31Å; H372-T374 VanDerWaalsContact O-N 3.16Å; H372-Q382 PolarHBondContact CD2-NE2 2.67Å
373	R	88.6	Confident	89.8	Confident	76 Å²	76	62.8 Å²	62.8	29%	0.287	32%	0.324	S	S	.	.			trans	-74.4	107	174.1	-70.1	-175.8	173.9	162.6	-11.5	109.7	E8 D336 Y371	E8-R373 HydrophobicContact CG-CG 4.11Å; E8-R373 WeakPolarHBondContact OE1-CD 3.49Å; E8-R373 IonicContact OE1-CZ 3.35Å; E8-R373 IonicContact OE1-NE 3.85Å; E8-R373 PolarHBondContact OE1-NE 2.77Å; E8-R373 IonicContact OE1-NH1 3.89Å; E8-R373 PolarHBondContact OE1-NH1 3.01Å; E8-R373 VanDerWaalsContact OE1-NH1 3.14Å; D336-R373 VanDerWaalsContact CG-NH2 3.26Å; D336-R373 IonicContact OD1-NH2 3.26Å; D336-R373 PolarHBondContact OD1-NH2 2.81Å; D336-R373 IonicContact OD2-CZ 2.65Å; D336-R373 IonicContact OD2-NH2 3.24Å; D336-R373 PolarHBondContact OD2-NH2 3.16Å; Y371-R373 HydrophobicContact CD1-CG 4.41Å; Y371-R373 HydrophobicContact CE1-CG 3.62Å
374	T	87.6	Confident	90	Very high	50 Å²	50	57.2 Å²	57.2	31%	0.307	29%	0.289	S	S	.	.			trans	-101.8	139.5	178.8	57.2	0	0	0	0	112.2	H372 T378 Q382	H372-T374 PolarHBondContact O-N 3.31Å; H372-T374 VanDerWaalsContact O-N 3.16Å; T374-T378 WeakPolarHBondContact CA-OG1 3.33Å; T374-Q382 HydrophobicContact CG2-CB 3.78Å; T374-Q382 HydrophobicContact CG2-CG 3.88Å
375	N	88.8	Confident	90.1	Very high	120 Å²	120	55.1 Å²	55.1	64%	0.642	28%	0.276	S	S	*	.			trans	-92.2	170.5	166.4	-64.8	-16.8	0	0	0	109.8	F377 T378 Y379	N375-F377 PolarHBondContact O-N 2.92Å; N375-T378 PolarHBondContact N-OG1 3.09Å; N375-T378 PolarHBondContact O-N 3.47Å; N375-T378 VanDerWaalsContact O-N 3.08Å; N375-T378 PolarHBondContact O-OG1 2.69Å; N375-Y379 WeakPolarHBondContact O-CB 3.39Å; N375-Y379 PolarHBondContact O-N 3.47Å
376	K	87.7	Confident	90.3	Very high	137 Å²	137	51 Å²	51	60%	0.596	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.6	-30.4	174.3	67.7	178.8	-172.7	169.1	0	114.7	Y455	K376-Y455 HydrophobicContact CB-CE2 4.43Å; K376-Y455 WeakPolarHBondContact CE-OH 2.96Å; K376-Y455 HydrophobicContact CG-CE2 4.26Å; K376-Y455 WeakPolarHBondContact O-CD2 3.38Å; K376-Y455 VanDerWaalsContact O-CE2 3.3Å; K376-Y455 WeakPolarHBondContact O-CE2 3.33Å
377	F	90.1	Very high	90.5	Very high	67 Å²	67	50.6 Å²	50.6	29%	0.294	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-48.5	179	178.8	-95.8	0	0	0	112.7	N375 F381 V403 Y455 L459	N375-F377 PolarHBondContact O-N 2.92Å; F377-F381 HydrophobicContact CE1-CE2 4.21Å; F377-F381 HydrophobicContact CZ-CE2 4.07Å; F377-V403 HydrophobicContact CE1-CG1 3.71Å; F377-V403 HydrophobicContact CE1-CG2 4.48Å; F377-V403 HydrophobicContact CZ-CG1 4.12Å; F377-Y455 HydrophobicContact CB-CD2 4.49Å; F377-Y455 AromaticContact CD2-CD1 3.78Å; F377-Y455 HydrophobicContact CD2-CD1 3.78Å; F377-Y455 HydrophobicContact CD2-CD2 4.27Å; F377-Y455 AromaticContact CD2-CG 3.64Å; F377-Y455 HydrophobicContact CD2-CG 3.64Å; F377-Y455 HydrophobicContact CE2-CD1 4.35Å; F377-Y455 HydrophobicContact CE2-CG 4.27Å; F377-L459 HydrophobicContact CE2-CD1 4.16Å; F377-L459 HydrophobicContact CZ-CD1 3.61Å; F377-L459 HydrophobicContact CZ-CG 4.46Å
378	T	90.4	Very high	90.7	Very high	17 Å²	17	49.1 Å²	49.1	10%	0.104	24%	0.244	C	C	.	.	H	α-helix	trans	-80.1	-21	-174.9	59.4	0	0	0	0	112.7	L4 T374 N375 A380 F381 Q382	L4-T378 HydrophobicContact CD2-CG2 4.11Å; T374-T378 WeakPolarHBondContact CA-OG1 3.33Å; N375-T378 PolarHBondContact N-OG1 3.09Å; N375-T378 PolarHBondContact O-N 3.47Å; N375-T378 VanDerWaalsContact O-N 3.08Å; N375-T378 PolarHBondContact O-OG1 2.69Å; T378-A380 VanDerWaalsContact C-N 3.33Å; T378-A380 PolarHBondContact O-N 3.25Å; T378-F381 PolarHBondContact O-N 3.05Å; T378-Q382 PolarHBondContact O-N 2.91Å
379	Y	90.1	Very high	90.7	Very high	137 Å²	137	48.9 Å²	48.9	54%	0.537	25%	0.246	S	C	.	.	H	α-helix	trans	-53.7	-48.3	179.3	178.9	-100.2	0	0	0	111.8	N375 F381 Q382 S383	N375-Y379 WeakPolarHBondContact O-CB 3.39Å; N375-Y379 PolarHBondContact O-N 3.47Å; Y379-F381 VanDerWaalsContact C-N 3.33Å; Y379-F381 PolarHBondContact O-N 2.92Å; Y379-Q382 PolarHBondContact O-N 2.97Å; Y379-Q382 VanDerWaalsContact O-N 3.15Å; Y379-S383 PolarHBondContact O-N 3.03Å; Y379-S383 PolarHBondContact O-OG 2.98Å; Y379-S383 VanDerWaalsContact O-OG 3.05Å
380	A	90.3	Very high	90.6	Very high	6 Å²	6	50 Å²	50	5%	0.05	25%	0.253	C	S	.	.	H	α-helix	trans	-60.8	-40.1	-179.6	0	0	0	0	0	113	T378 I384 S452 I456	T378-A380 VanDerWaalsContact C-N 3.33Å; T378-A380 PolarHBondContact O-N 3.25Å; A380-I384 PolarHBondContact O-N 2.98Å; A380-S452 WeakPolarHBondContact CB-O 3.44Å; A380-I456 HydrophobicContact CB-CD1 3.77Å; A380-I456 HydrophobicContact CB-CG1 4.16Å
381	F	92.3	Very high	90.5	Very high	1 Å²	1	49.7 Å²	49.7	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-70.7	-37.7	176.6	-70.2	-83.2	0	0	0	112	F377 T378 Y379 I384 I385 V403 P407 I456 L459	F377-F381 HydrophobicContact CE1-CE2 4.21Å; F377-F381 HydrophobicContact CZ-CE2 4.07Å; T378-F381 PolarHBondContact O-N 3.05Å; Y379-F381 VanDerWaalsContact C-N 3.33Å; Y379-F381 PolarHBondContact O-N 2.92Å; F381-I384 PolarHBondContact O-N 2.7Å; F381-I385 PolarHBondContact O-N 3.2Å; F381-V403 HydrophobicContact CB-CG2 4.09Å; F381-V403 HydrophobicContact CD1-CG2 4.26Å; F381-V403 HydrophobicContact CD2-CG2 3.79Å; F381-V403 HydrophobicContact CE2-CG2 4.25Å; F381-V403 HydrophobicContact CG-CG2 3.79Å; F381-P407 HydrophobicContact CE1-CG 4.09Å; F381-P407 HydrophobicContact CZ-CG 4.22Å; F381-I456 HydrophobicContact CD1-CG1 4.05Å; F381-I456 HydrophobicContact CD2-CG1 4.13Å; F381-I456 HydrophobicContact CE1-CB 4.38Å; F381-I456 HydrophobicContact CE1-CG1 3.73Å; F381-I456 HydrophobicContact CE1-CG2 4.22Å; F381-I456 HydrophobicContact CE2-CG1 3.81Å; F381-I456 HydrophobicContact CG-CG1 4.26Å; F381-I456 HydrophobicContact CZ-CB 4.19Å; F381-I456 HydrophobicContact CZ-CG1 3.6Å; F381-I456 HydrophobicContact CZ-CG2 4.42Å; F381-L459 HydrophobicContact CE2-CD1 4.29Å; F381-L459 HydrophobicContact CZ-CD1 3.85Å
382	Q	91.9	Very high	90.4	Very high	6 Å²	6	52.6 Å²	52.6	3%	0.028	26%	0.261	C	S	.	.	H	α-helix	trans	-64.3	-43.9	176.2	-171.9	65.4	41.6	0	0	111	H372 T374 T378 Y379 I384 I385 D386 N397 A399	H372-Q382 PolarHBondContact CD2-NE2 2.67Å; T374-Q382 HydrophobicContact CG2-CB 3.78Å; T374-Q382 HydrophobicContact CG2-CG 3.88Å; T378-Q382 PolarHBondContact O-N 2.91Å; Y379-Q382 PolarHBondContact O-N 2.97Å; Y379-Q382 VanDerWaalsContact O-N 3.15Å; Q382-I384 VanDerWaalsContact C-N 3.27Å; Q382-I384 PolarHBondContact O-N 3.42Å; Q382-I385 WeakPolarHBondContact O-CB 3.28Å; Q382-I385 PolarHBondContact O-N 3.32Å; Q382-D386 WeakPolarHBondContact CG-OD2 3.4Å; Q382-D386 PolarHBondContact NE2-OD1 3.42Å; Q382-D386 PolarHBondContact O-N 2.9Å; Q382-N397 PolarHBondContact OE1-ND2 2.81Å; Q382-N397 PolarHBondContact OE1-OD1 3.01Å; Q382-A399 VanDerWaalsContact OE1-CB 3.25Å
383	S	90.3	Very high	90.4	Very high	49 Å²	49	54.5 Å²	54.5	34%	0.343	27%	0.268	S	S	.	.	H	α-helix	trans	-59.6	-34.9	177.9	-55.9	0	0	0	0	113.1	Y379 I385 A387	Y379-S383 PolarHBondContact O-N 3.03Å; Y379-S383 PolarHBondContact O-OG 2.98Å; Y379-S383 VanDerWaalsContact O-OG 3.05Å; S383-I385 VanDerWaalsContact C-N 3.29Å; S383-I385 PolarHBondContact O-N 2.65Å; S383-A387 WeakPolarHBondContact O-CB 3.41Å; S383-A387 PolarHBondContact O-N 2.97Å; S383-A387 VanDerWaalsContact O-N 3.13Å
384	I	92.4	Very high	90.5	Very high	30 Å²	30	54.5 Å²	54.5	15%	0.154	27%	0.268	C	S	.	.	H	α-helix	trans	-67.6	-31.5	175.3	-69.6	175.6	0	0	0	111.8	A380 F381 Q382 I456 F831 L835 W839	A380-I384 PolarHBondContact O-N 2.98Å; F381-I384 PolarHBondContact O-N 2.7Å; Q382-I384 VanDerWaalsContact C-N 3.27Å; Q382-I384 PolarHBondContact O-N 3.42Å; I384-I456 HydrophobicContact CD1-CD1 3.39Å; I384-I456 HydrophobicContact CG1-CD1 4.46Å; I384-F831 HydrophobicContact CD1-CZ 4.15Å; I384-L835 HydrophobicContact CG2-CD1 3.96Å; I384-W839 WeakPolarHBondContact O-CZ2 3.44Å; I384-W839 PolarHBondContact O-NE1 2.8Å
385	I	91.4	Very high	90.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-78.6	-47	178.7	-73.5	160.1	0	0	0	110.4	F381 Q382 S383 A387 Y388 G389 P398 A399 T402	F381-I385 PolarHBondContact O-N 3.2Å; Q382-I385 WeakPolarHBondContact O-CB 3.28Å; Q382-I385 PolarHBondContact O-N 3.32Å; S383-I385 VanDerWaalsContact C-N 3.29Å; S383-I385 PolarHBondContact O-N 2.65Å; I385-A387 PolarHBondContact O-N 3.14Å; I385-Y388 WeakPolarHBondContact O-CB 3.29Å; I385-Y388 PolarHBondContact O-N 3.49Å; I385-G389 PolarHBondContact O-N 3.21Å; I385-P398 HydrophobicContact CD1-CB 4.26Å; I385-P398 HydrophobicContact CD1-CG 3.99Å; I385-P398 HydrophobicContact CG1-CG 4.22Å; I385-P398 HydrophobicContact CG2-CG 3.55Å; I385-A399 HydrophobicContact CD1-CB 3.43Å; I385-A399 VanDerWaalsContact CD1-CB 3.43Å; I385-T402 HydrophobicContact CD1-CG2 4.39Å
386	D	90.7	Very high	90.7	Very high	60 Å²	60	47 Å²	47	32%	0.321	23%	0.226	S	C	.	.	H	α-helix	trans	-61.8	-26.2	179.7	-64	-15.2	0	0	0	111.5	Q382 Y388 G389	Q382-D386 WeakPolarHBondContact CG-OD2 3.4Å; Q382-D386 PolarHBondContact NE2-OD1 3.42Å; Q382-D386 PolarHBondContact O-N 2.9Å; D386-Y388 VanDerWaalsContact C-N 3.28Å; D386-Y388 PolarHBondContact O-N 3.39Å; D386-G389 PolarHBondContact O-N 3.12Å
387	A	91.6	Very high	90.9	Very high	72 Å²	72	40.4 Å²	40.4	60%	0.595	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-25.4	173.3	0	0	0	0	0	114.2	S383 I385 W839	S383-A387 WeakPolarHBondContact O-CB 3.41Å; S383-A387 PolarHBondContact O-N 2.97Å; S383-A387 VanDerWaalsContact O-N 3.13Å; I385-A387 PolarHBondContact O-N 3.14Å; A387-W839 HydrophobicContact CB-CZ2 4.24Å
388	Y	91.6	Very high	90.9	Very high	99 Å²	99	37.2 Å²	37.2	39%	0.388	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-37	172.2	-177.2	-108.9	0	0	0	111.6	I385 D386 W839 Y847	I385-Y388 WeakPolarHBondContact O-CB 3.29Å; I385-Y388 PolarHBondContact O-N 3.49Å; D386-Y388 VanDerWaalsContact C-N 3.28Å; D386-Y388 PolarHBondContact O-N 3.39Å; Y388-W839 HydrophobicContact CD2-CB 3.65Å; Y388-W839 AromaticContact CD2-CD2 3.81Å; Y388-W839 HydrophobicContact CD2-CD2 3.81Å; Y388-W839 AromaticContact CD2-CE3 3.98Å; Y388-W839 HydrophobicContact CD2-CE3 3.98Å; Y388-W839 AromaticContact CD2-CG 3.69Å; Y388-W839 HydrophobicContact CD2-CG 3.69Å; Y388-W839 HydrophobicContact CE2-CB 3.86Å; Y388-W839 HydrophobicContact CE2-CG 4.4Å; Y388-W839 HydrophobicContact CG-CB 4.16Å; Y388-W839 HydrophobicContact CG-CD2 4.23Å; Y388-W839 AromaticContact CG-CG 3.95Å; Y388-W839 HydrophobicContact CG-CG 3.95Å; Y388-Y847 HydrophobicContact CD1-CD1 4.22Å; Y388-Y847 HydrophobicContact CD1-CE1 4.21Å; Y388-Y847 HydrophobicContact CE1-CD1 4.49Å
389	G	91.4	Very high	90.9	Very high	15 Å²	15	36.5 Å²	36.5	16%	0.155	18%	0.179	C	C	.	.			trans	164.4	161.6	179.8	0	0	0	0	0	109.3	I385 D386 Y847	I385-G389 PolarHBondContact O-N 3.21Å; D386-G389 PolarHBondContact O-N 3.12Å; G389-Y847 PolarHBondContact O-OH 2.66Å
390	V	91	Very high	90.9	Very high	24 Å²	24	33.3 Å²	33.3	15%	0.145	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-93.8	138.5	-178.5	177.9	0	0	0	0	110.4	T370 Y847 G849 D850 G851 P853	T370-V390 HydrophobicContact CG2-CG1 4.5Å; V390-Y847 VanDerWaalsContact C-OH 3.25Å; V390-G849 PolarHBondContact N-O 3.48Å; V390-G849 CarbonylContact O-C 3.58Å; V390-G849 VanDerWaalsContact O-CA 3.28Å; V390-G849 WeakPolarHBondContact O-CA 3.1Å; V390-D850 PolarHBondContact O-N 3.12Å; V390-G851 WeakPolarHBondContact O-CA 3.22Å; V390-G851 PolarHBondContact O-N 3.19Å; V390-P853 HydrophobicContact CG1-CB 4.27Å; V390-P853 HydrophobicContact CG2-CB 4.23Å; V390-P853 HydrophobicContact CG2-CG 4.31Å
391	A	90.1	Very high	91	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-62.3	149.1	-175.7	0	0	0	0	0	111.3	T370 E395 Y847	T370-A391 WeakPolarHBondContact CB-O 3.33Å; T370-A391 HydrophobicContact CG2-CB 4.05Å; T370-A391 PolarHBondContact OG1-O 3.2Å; A391-E395 HydrophobicContact CB-CB 4.45Å; A391-Y847 WeakPolarHBondContact CA-OH 3.34Å; A391-Y847 HydrophobicContact CB-CD2 4.39Å; A391-Y847 HydrophobicContact CB-CE2 3.43Å; A391-Y847 VanDerWaalsContact CB-CE2 3.43Å; A391-Y847 PolarHBondContact N-OH 3.04Å
392	R	90.4	Very high	91	Very high	120 Å²	120	35.4 Å²	35.4	45%	0.453	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-64	154.8	167.3	-73.3	-177.5	170.4	167.7	1.4	110.5	R394 E395 D850	R392-R394 PolarHBondContact O-N 2.92Å; R392-E395 HydrophobicContact CB-CB 4.12Å; R392-E395 PolarHBondContact N-OE2 3.16Å; R392-E395 WeakPolarHBondContact O-CB 3.49Å; R392-E395 PolarHBondContact O-N 3.35Å; R392-D850 WeakPolarHBondContact CD-OD1 3.48Å; R392-D850 WeakPolarHBondContact CG-OD1 3.28Å; R392-D850 IonicContact CZ-OD1 3.27Å; R392-D850 IonicContact CZ-OD2 3.37Å; R392-D850 VanDerWaalsContact CZ-OD2 3.26Å; R392-D850 IonicContact NE-OD1 3.9Å; R392-D850 PolarHBondContact NE-OD1 3.27Å; R392-D850 IonicContact NE-OD2 2.65Å; R392-D850 PolarHBondContact NE-OD2 2.92Å; R392-D850 IonicContact NH2-OD1 3.36Å; R392-D850 IonicContact NH2-OD2 3.53Å; R392-D850 PolarHBondContact NH2-OD2 3.14Å
393	Y	90.5	Very high	91	Very high	58 Å²	58	36.1 Å²	36.1	23%	0.227	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	125.9	175.8	-178.9	-113.6	0	0	0	111	E8 E9 M10 P368 T370 E395	E8-Y393 WeakPolarHBondContact O-CE2 3.36Å; E9-Y393 WeakPolarHBondContact CA-OH 3.38Å; M10-Y393 HydrophobicContact CB-CE2 3.92Å; M10-Y393 HydrophobicContact CG-CE2 3.86Å; M10-Y393 PolarHBondContact N-OH 3.23Å; M10-Y393 PolarHBondContact O-OH 3.42Å; P368-Y393 HydrophobicContact CB-CD1 4.31Å; P368-Y393 HydrophobicContact CB-CD2 3.86Å; P368-Y393 HydrophobicContact CB-CE1 4.31Å; P368-Y393 HydrophobicContact CB-CE2 3.9Å; P368-Y393 HydrophobicContact CB-CG 4.07Å; P368-Y393 HydrophobicContact CG-CD1 3.81Å; P368-Y393 HydrophobicContact CG-CD2 4.26Å; P368-Y393 HydrophobicContact CG-CE1 3.7Å; P368-Y393 HydrophobicContact CG-CE2 4.2Å; P368-Y393 HydrophobicContact CG-CG 4.08Å; T370-Y393 PolarHBondContact OG1-N 2.86Å; Y393-E395 PolarHBondContact O-N 3.38Å
394	R	89.1	Confident	91.2	Very high	76 Å²	76	38.9 Å²	38.9	29%	0.287	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	20.2	-176.1	-57	-170.5	69.5	148.8	16	116.2	S7 E9 R392	S7-R394 WeakPolarHBondContact OG-CA 3.14Å; S7-R394 PolarHBondContact OG-N 3.4Å; E9-R394 VanDerWaalsContact CD-NH1 3.31Å; E9-R394 IonicContact OE1-CZ 2.75Å; E9-R394 IonicContact OE1-NH1 3.92Å; E9-R394 PolarHBondContact OE1-NH1 3.29Å; E9-R394 IonicContact OE1-NH2 3.2Å; E9-R394 PolarHBondContact OE1-NH2 2.97Å; R392-R394 PolarHBondContact O-N 2.92Å
395	E	90.3	Very high	91.3	Very high	12 Å²	12	38.7 Å²	38.7	6%	0.056	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-71.4	151.9	168.1	-159.8	169.3	-150.3	0	0	110.7	A391 R392 Y393 N397 N565 Y847 S848	A391-E395 HydrophobicContact CB-CB 4.45Å; R392-E395 HydrophobicContact CB-CB 4.12Å; R392-E395 PolarHBondContact N-OE2 3.16Å; R392-E395 WeakPolarHBondContact O-CB 3.49Å; R392-E395 PolarHBondContact O-N 3.35Å; Y393-E395 PolarHBondContact O-N 3.38Å; E395-N397 PolarHBondContact O-N 3.23Å; E395-N565 WeakPolarHBondContact CG-ND2 3.09Å; E395-Y847 WeakPolarHBondContact OE1-CA 3.44Å; E395-S848 PolarHBondContact OE1-N 2.99Å; E395-S848 PolarHBondContact OE1-OG 2.85Å; E395-S848 VanDerWaalsContact OE1-OG 3.05Å
396	V	91.4	Very high	91.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-65.8	123.8	174	169.2	0	0	0	0	109.6	F5 R6 P398 F401 L561 F564 N565	F5-V396 HydrophobicContact CD2-CG1 4.34Å; F5-V396 HydrophobicContact CE1-CG2 3.87Å; F5-V396 HydrophobicContact CE2-CG1 3.8Å; F5-V396 HydrophobicContact CE2-CG2 4.26Å; F5-V396 HydrophobicContact CZ-CG1 4.05Å; F5-V396 HydrophobicContact CZ-CG2 3.67Å; F5-V396 WeakPolarHBondContact O-CA 3.43Å; R6-V396 HydrophobicContact CG-CG2 4.36Å; V396-P398 WeakPolarHBondContact O-CD 3.48Å; V396-F401 HydrophobicContact CG1-CE2 4.35Å; V396-L561 HydrophobicContact CG1-CD2 4.42Å; V396-F564 HydrophobicContact CG2-CB 4.08Å; V396-N565 WeakPolarHBondContact CB-OD1 3.47Å; V396-N565 WeakPolarHBondContact CG2-OD1 3.44Å; V396-N565 PolarHBondContact N-OD1 3.45Å
397	N	91.4	Very high	91.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-76.6	122.8	-178.9	-174.8	-5.3	0	0	0	110.7	L4 F5 Q382 E395 A399	L4-N397 VanDerWaalsContact O-CB 3.25Å; L4-N397 WeakPolarHBondContact O-CB 3.47Å; L4-N397 PolarHBondContact O-ND2 2.96Å; F5-N397 PolarHBondContact O-N 3.01Å; Q382-N397 PolarHBondContact OE1-ND2 2.81Å; Q382-N397 PolarHBondContact OE1-OD1 3.01Å; E395-N397 PolarHBondContact O-N 3.23Å; N397-A399 PolarHBondContact O-N 2.69Å; N397-A399 WeakPolarHBondContact OD1-CB 3.45Å; N397-A399 PolarHBondContact OD1-N 3.39Å
398	P	90.8	Very high	92	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-15.3	176	25.4	-31.8	0	0	0	113.6	I385 V396 L400 F401 T402 F842 Q843 F846 Y847	I385-P398 HydrophobicContact CD1-CB 4.26Å; I385-P398 HydrophobicContact CD1-CG 3.99Å; I385-P398 HydrophobicContact CG1-CG 4.22Å; I385-P398 HydrophobicContact CG2-CG 3.55Å; V396-P398 WeakPolarHBondContact O-CD 3.48Å; P398-L400 VanDerWaalsContact C-N 3.31Å; P398-L400 PolarHBondContact O-N 3.47Å; P398-F401 PolarHBondContact O-N 3.45Å; P398-T402 WeakPolarHBondContact O-CB 3.39Å; P398-T402 PolarHBondContact O-N 3.42Å; P398-T402 PolarHBondContact O-OG1 3.13Å; P398-F842 HydrophobicContact CB-CE1 4.36Å; P398-Q843 HydrophobicContact CB-CG 4.24Å; P398-Q843 HydrophobicContact CG-CG 4.34Å; P398-F846 HydrophobicContact CB-CE2 4.13Å; P398-F846 HydrophobicContact CB-CZ 3.87Å; P398-Y847 HydrophobicContact CG-CD2 4Å; P398-Y847 HydrophobicContact CG-CE2 4.04Å
399	A	90.2	Very high	92.2	Very high	1 Å²	1	31 Å²	31	1%	0.008	15%	0.146	C	C	.	.	H	α-helix	trans	-59.7	-39.4	-174.9	0	0	0	0	0	113.2	Q382 I385 N397 F401 T402 V403	Q382-A399 VanDerWaalsContact OE1-CB 3.25Å; I385-A399 HydrophobicContact CD1-CB 3.43Å; I385-A399 VanDerWaalsContact CD1-CB 3.43Å; N397-A399 PolarHBondContact O-N 2.69Å; N397-A399 WeakPolarHBondContact OD1-CB 3.45Å; N397-A399 PolarHBondContact OD1-N 3.39Å; A399-F401 VanDerWaalsContact C-N 3.28Å; A399-F401 PolarHBondContact O-N 3.24Å; A399-T402 PolarHBondContact O-N 3.18Å; A399-V403 VanDerWaalsContact O-CG2 3.28Å; A399-V403 WeakPolarHBondContact O-CG2 3.45Å; A399-V403 PolarHBondContact O-N 2.54Å
400	L	89.7	Confident	92.4	Very high	70 Å²	70	30.4 Å²	30.4	37%	0.366	14%	0.14	S	C	.	.	H	α-helix	trans	-58.3	-42.3	-179.5	-179.3	65.1	0	0	0	112.1	L4 F5 P398	L4-L400 HydrophobicContact CD2-CB 4.46Å; L4-L400 HydrophobicContact CD2-CD1 3.92Å; F5-L400 HydrophobicContact CD2-CD2 4.03Å; P398-L400 VanDerWaalsContact C-N 3.31Å; P398-L400 PolarHBondContact O-N 3.47Å
401	F	91.8	Very high	92.6	Very high	49 Å²	49	29.3 Å²	29.3	22%	0.215	13%	0.133	C	C	.	.	H	α-helix	trans	-77.3	-42.3	178.7	-58.9	-75.3	0	0	0	111	F5 V396 P398 A399 V403 I404 T405 L557 L561 F842	F5-F401 HydrophobicContact CE2-CE2 4.38Å; F5-F401 HydrophobicContact CE2-CZ 4.34Å; V396-F401 HydrophobicContact CG1-CE2 4.35Å; P398-F401 PolarHBondContact O-N 3.45Å; A399-F401 VanDerWaalsContact C-N 3.28Å; A399-F401 PolarHBondContact O-N 3.24Å; F401-V403 PolarHBondContact O-N 3.49Å; F401-I404 PolarHBondContact O-N 3.47Å; F401-T405 WeakPolarHBondContact O-CG2 3.41Å; F401-T405 PolarHBondContact O-N 3.4Å; F401-T405 PolarHBondContact O-OG1 2.96Å; F401-T405 VanDerWaalsContact O-OG1 3.05Å; F401-L557 HydrophobicContact CD1-CD2 4.31Å; F401-L561 HydrophobicContact CD2-CD1 3.49Å; F401-L561 VanDerWaalsContact CD2-CD1 3.49Å; F401-L561 HydrophobicContact CD2-CD2 4.34Å; F401-L561 HydrophobicContact CE1-CD2 4.25Å; F401-L561 HydrophobicContact CE2-CD1 3.41Å; F401-L561 VanDerWaalsContact CE2-CD1 3.41Å; F401-L561 HydrophobicContact CE2-CD2 3.42Å; F401-L561 VanDerWaalsContact CE2-CD2 3.42Å; F401-L561 HydrophobicContact CE2-CG 4.07Å; F401-L561 HydrophobicContact CG-CD1 4.18Å; F401-L561 HydrophobicContact CZ-CD1 4.05Å; F401-L561 HydrophobicContact CZ-CD2 3.38Å; F401-L561 HydrophobicContact CZ-CG 4.34Å; F401-F842 HydrophobicContact CB-CZ 4.22Å
402	T	92.6	Very high	92.9	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.018	13%	0.134	C	C	.	.	H	α-helix	trans	-58.3	-33.4	-179	-53.9	0	0	0	0	112.1	I385 P398 A399 I404 T405 F406 P407	I385-T402 HydrophobicContact CD1-CG2 4.39Å; P398-T402 WeakPolarHBondContact O-CB 3.39Å; P398-T402 PolarHBondContact O-N 3.42Å; P398-T402 PolarHBondContact O-OG1 3.13Å; A399-T402 PolarHBondContact O-N 3.18Å; T402-I404 PolarHBondContact O-N 3.48Å; T402-T405 WeakPolarHBondContact CA-OG1 3.39Å; T402-F406 HydrophobicContact CG2-CB 3.63Å; T402-F406 HydrophobicContact CG2-CD2 4.22Å; T402-F406 HydrophobicContact CG2-CG 4.24Å; T402-F406 WeakPolarHBondContact O-CB 3.46Å; T402-F406 PolarHBondContact O-N 3.37Å; T402-P407 WeakPolarHBondContact O-CD 3.43Å
403	V	93.5	Very high	93.1	Very high	21 Å²	21	23.9 Å²	23.9	13%	0.127	11%	0.113	C	C	.	.	H	α-helix	trans	-51.2	-34.4	174.6	166.4	0	0	0	0	112.8	F377 F381 A399 F401 P407 L459	F377-V403 HydrophobicContact CE1-CG1 3.71Å; F377-V403 HydrophobicContact CE1-CG2 4.48Å; F377-V403 HydrophobicContact CZ-CG1 4.12Å; F381-V403 HydrophobicContact CB-CG2 4.09Å; F381-V403 HydrophobicContact CD1-CG2 4.26Å; F381-V403 HydrophobicContact CD2-CG2 3.79Å; F381-V403 HydrophobicContact CE2-CG2 4.25Å; F381-V403 HydrophobicContact CG-CG2 3.79Å; A399-V403 VanDerWaalsContact O-CG2 3.28Å; A399-V403 WeakPolarHBondContact O-CG2 3.45Å; A399-V403 PolarHBondContact O-N 2.54Å; F401-V403 PolarHBondContact O-N 3.49Å; V403-P407 WeakPolarHBondContact O-CD 3.24Å; V403-P407 WeakPolarHBondContact O-CG 3.45Å; V403-L459 HydrophobicContact CG1-CD1 4.43Å
404	I	94.2	Very high	93.2	Very high	106 Å²	106	21.2 Å²	21.2	54%	0.544	10%	0.102	S	C	.	.	H	α-helix	trans	-106.1	-47.3	-178.8	-59.9	173.4	0	0	0	111.1	F401 T402 F406 F408 F463	F401-I404 PolarHBondContact O-N 3.47Å; T402-I404 PolarHBondContact O-N 3.48Å; I404-F406 VanDerWaalsContact C-N 3.3Å; I404-F406 PolarHBondContact O-N 3.18Å; I404-F408 VanDerWaalsContact O-CB 3.26Å; I404-F408 WeakPolarHBondContact O-CB 3.32Å; I404-F408 PolarHBondContact O-N 3.49Å; I404-F408 VanDerWaalsContact O-N 3.16Å; I404-F463 HydrophobicContact CG2-CZ 4.31Å
405	T	94.2	Very high	93.3	Very high	26 Å²	26	17.9 Å²	17.9	16%	0.16	9%	0.092	C	C	.	.	H	α-helix	trans	-66.4	-33.8	-174.4	59.6	0	0	0	0	112.1	F401 T402 L409 H838	F401-T405 WeakPolarHBondContact O-CG2 3.41Å; F401-T405 PolarHBondContact O-N 3.4Å; F401-T405 PolarHBondContact O-OG1 2.96Å; F401-T405 VanDerWaalsContact O-OG1 3.05Å; T402-T405 WeakPolarHBondContact CA-OG1 3.39Å; T405-L409 WeakPolarHBondContact O-CB 3.45Å; T405-L409 WeakPolarHBondContact O-CG 3.21Å; T405-L409 PolarHBondContact O-N 3.17Å; T405-H838 PolarHBondContact OG1-NE2 3.36Å
406	F	95.3	Very high	93.5	Very high	1 Å²	1	17.3 Å²	17.3	0%	0.004	9%	0.089	C	C	.	.	H	α-helix	trans	-68.7	-56.9	-178.8	-178.2	-75.2	0	0	0	112	T402 I404 F408 L409 F410 I456 M460 F831 T834 L835 H838	T402-F406 HydrophobicContact CG2-CB 3.63Å; T402-F406 HydrophobicContact CG2-CD2 4.22Å; T402-F406 HydrophobicContact CG2-CG 4.24Å; T402-F406 WeakPolarHBondContact O-CB 3.46Å; T402-F406 PolarHBondContact O-N 3.37Å; I404-F406 VanDerWaalsContact C-N 3.3Å; I404-F406 PolarHBondContact O-N 3.18Å; F406-F408 PolarHBondContact O-N 2.72Å; F406-L409 PolarHBondContact O-N 3.29Å; F406-F410 WeakPolarHBondContact O-CB 3.41Å; F406-F410 PolarHBondContact O-N 2.96Å; F406-I456 HydrophobicContact CD1-CG2 4.27Å; F406-I456 HydrophobicContact CE1-CG2 4.05Å; F406-M460 HydrophobicContact CE1-SD 4.07Å; F406-F831 AromaticContact CE1-CD2 3.68Å; F406-F831 HydrophobicContact CE1-CD2 3.68Å; F406-F831 AromaticContact CE1-CE2 3.47Å; F406-F831 HydrophobicContact CE1-CE2 3.47Å; F406-F831 VanDerWaalsContact CE1-CE2 3.47Å; F406-F831 HydrophobicContact CE1-CZ 4.4Å; F406-F831 AromaticContact CZ-CD2 3.59Å; F406-F831 HydrophobicContact CZ-CD2 3.59Å; F406-F831 AromaticContact CZ-CE2 3.33Å; F406-F831 HydrophobicContact CZ-CE2 3.33Å; F406-F831 HydrophobicContact CZ-CG 4.34Å; F406-F831 AromaticContact CZ-CZ 3.88Å; F406-F831 HydrophobicContact CZ-CZ 3.88Å; F406-T834 HydrophobicContact CD1-CG2 4.34Å; F406-T834 HydrophobicContact CD2-CG2 3.83Å; F406-T834 HydrophobicContact CE1-CG2 4.45Å; F406-T834 HydrophobicContact CE2-CG2 3.99Å; F406-T834 HydrophobicContact CG-CG2 3.99Å; F406-T834 HydrophobicContact CZ-CG2 4.28Å; F406-T834 WeakPolarHBondContact O-CG2 3.49Å; F406-L835 HydrophobicContact CE2-CB 3.77Å; F406-L835 HydrophobicContact CZ-CB 4.27Å; F406-H838 VanDerWaalsContact CA-CE1 3.43Å; F406-H838 WeakPolarHBondContact CA-CE1 3.2Å; F406-H838 AromaticContact CD2-CE1 3.88Å; F406-H838 AromaticContact CD2-ND1 3.71Å; F406-H838 PolarHBondContact N-NE2 3.21Å
407	P	95.8	Very high	93.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.5	-31.6	175.7	-29.4	40.7	0	0	0	113.9	F381 T402 V403 A411 L459 M460 F463	F381-P407 HydrophobicContact CE1-CG 4.09Å; F381-P407 HydrophobicContact CZ-CG 4.22Å; T402-P407 WeakPolarHBondContact O-CD 3.43Å; V403-P407 WeakPolarHBondContact O-CD 3.24Å; V403-P407 WeakPolarHBondContact O-CG 3.45Å; P407-A411 WeakPolarHBondContact O-CB 3.36Å; P407-A411 PolarHBondContact O-N 3.41Å; P407-L459 HydrophobicContact CB-CB 3.82Å; P407-L459 HydrophobicContact CG-CB 3.71Å; P407-L459 HydrophobicContact CG-CD1 4.24Å; P407-M460 HydrophobicContact CB-CG 4.13Å; P407-M460 HydrophobicContact CG-CG 4.5Å; P407-F463 HydrophobicContact CB-CD2 3.42Å; P407-F463 VanDerWaalsContact CB-CD2 3.42Å; P407-F463 HydrophobicContact CB-CE2 3.87Å; P407-F463 HydrophobicContact CB-CG 4.48Å
408	F	95.9	Very high	93.6	Very high	66 Å²	66	17.9 Å²	17.9	29%	0.289	9%	0.094	S	C	.	.	H	α-helix	trans	-69	-48.1	177	178.3	-102.5	0	0	0	113	I404 F406 F410 A411 V412 L550	I404-F408 VanDerWaalsContact O-CB 3.26Å; I404-F408 WeakPolarHBondContact O-CB 3.32Å; I404-F408 PolarHBondContact O-N 3.49Å; I404-F408 VanDerWaalsContact O-N 3.16Å; F406-F408 PolarHBondContact O-N 2.72Å; F408-F410 VanDerWaalsContact C-N 3.29Å; F408-F410 PolarHBondContact O-N 3.47Å; F408-A411 WeakPolarHBondContact O-CB 3.3Å; F408-A411 PolarHBondContact O-N 3.27Å; F408-A411 VanDerWaalsContact O-N 3.13Å; F408-V412 HydrophobicContact CE1-CG2 4.33Å; F408-V412 HydrophobicContact CZ-CG2 4.34Å; F408-V412 WeakPolarHBondContact O-CG2 3.49Å; F408-V412 PolarHBondContact O-N 3.06Å; F408-V412 VanDerWaalsContact O-N 3.14Å; F408-L550 HydrophobicContact CE1-CD1 4.1Å; F408-L550 HydrophobicContact CE1-CD2 3.85Å; F408-L550 HydrophobicContact CZ-CD2 4.31Å
409	L	95.9	Very high	93.8	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.021	9%	0.094	C	C	.	.	H	α-helix	trans	-65.5	-34.5	177.4	-72.4	-174.2	0	0	0	112	T405 F406 A411 V412 M413 L773 T834	T405-L409 WeakPolarHBondContact O-CB 3.45Å; T405-L409 WeakPolarHBondContact O-CG 3.21Å; T405-L409 PolarHBondContact O-N 3.17Å; F406-L409 PolarHBondContact O-N 3.29Å; L409-A411 VanDerWaalsContact C-N 3.35Å; L409-V412 PolarHBondContact O-N 3.49Å; L409-M413 PolarHBondContact O-N 3.43Å; L409-L773 HydrophobicContact CB-CD2 4.24Å; L409-L773 HydrophobicContact CD2-CD1 4.11Å; L409-L773 HydrophobicContact CD2-CD2 4.06Å; L409-T834 HydrophobicContact CB-CG2 3.87Å
410	F	96.6	Very high	94	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.009	9%	0.094	C	C	.	.	H	α-helix	trans	-59	-47.2	169.9	173.9	-90.3	0	0	0	111.3	F406 F408 V412 M413 F414 M423 M460 G827 A830 F831 T834	F406-F410 WeakPolarHBondContact O-CB 3.41Å; F406-F410 PolarHBondContact O-N 2.96Å; F408-F410 VanDerWaalsContact C-N 3.29Å; F408-F410 PolarHBondContact O-N 3.47Å; F410-V412 VanDerWaalsContact C-N 3.26Å; F410-V412 PolarHBondContact O-N 3Å; F410-M413 WeakPolarHBondContact O-CB 3.22Å; F410-M413 PolarHBondContact O-N 2.86Å; F410-F414 HydrophobicContact CD1-CB 4.26Å; F410-F414 HydrophobicContact CE1-CB 3.69Å; F410-F414 HydrophobicContact CE1-CD1 4.07Å; F410-F414 HydrophobicContact CE1-CG 4.05Å; F410-F414 HydrophobicContact CE2-CB 4.41Å; F410-F414 HydrophobicContact CZ-CB 3.78Å; F410-F414 HydrophobicContact CZ-CD1 4.17Å; F410-F414 HydrophobicContact CZ-CD2 4.5Å; F410-F414 AromaticContact CZ-CG 3.91Å; F410-F414 HydrophobicContact CZ-CG 3.91Å; F410-F414 PolarHBondContact O-N 3.33Å; F410-M423 HydrophobicContact CE1-CE 3.64Å; F410-M423 HydrophobicContact CE1-SD 4.36Å; F410-M423 HydrophobicContact CZ-CE 3.87Å; F410-M423 HydrophobicContact CZ-SD 4.26Å; F410-M460 HydrophobicContact CB-CG 4.22Å; F410-M460 HydrophobicContact CB-SD 4.13Å; F410-M460 HydrophobicContact CD1-CB 3.59Å; F410-M460 HydrophobicContact CD1-CG 3.67Å; F410-M460 HydrophobicContact CD1-SD 3.77Å; F410-M460 HydrophobicContact CD2-SD 3.68Å; F410-M460 HydrophobicContact CE1-CB 3.79Å; F410-M460 HydrophobicContact CE1-CG 4.22Å; F410-M460 HydrophobicContact CE1-SD 4.1Å; F410-M460 HydrophobicContact CE2-SD 3.99Å; F410-M460 HydrophobicContact CG-CB 4.33Å; F410-M460 HydrophobicContact CG-CG 3.89Å; F410-M460 HydrophobicContact CG-SD 3.55Å; F410-M460 VanDerWaalsContact CG-SD 3.55Å; F410-M460 HydrophobicContact CZ-SD 4.19Å; F410-G827 WeakPolarHBondContact CE2-O 3.45Å; F410-A830 HydrophobicContact CD2-CB 4.03Å; F410-A830 HydrophobicContact CE2-CB 3.75Å; F410-F831 HydrophobicContact CD2-CB 4.26Å; F410-F831 HydrophobicContact CE2-CB 4.13Å; F410-T834 WeakPolarHBondContact CA-OG1 3.28Å; F410-T834 HydrophobicContact CB-CG2 4.24Å; F410-T834 PolarHBondContact N-OG1 3.13Å
411	A	96	Very high	94.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.1	-29.9	-179.2	0	0	0	0	0	113.7	P407 F408 L409 F414 G415 F463 T467	P407-A411 WeakPolarHBondContact O-CB 3.36Å; P407-A411 PolarHBondContact O-N 3.41Å; F408-A411 WeakPolarHBondContact O-CB 3.3Å; F408-A411 PolarHBondContact O-N 3.27Å; F408-A411 VanDerWaalsContact O-N 3.13Å; L409-A411 VanDerWaalsContact C-N 3.35Å; A411-F414 CarbonylContact O-C 3.6Å; A411-F414 VanDerWaalsContact O-C 3.28Å; A411-F414 PolarHBondContact O-N 3.04Å; A411-G415 VanDerWaalsContact O-CA 3.26Å; A411-G415 WeakPolarHBondContact O-CA 3.28Å; A411-G415 PolarHBondContact O-N 3.34Å; A411-G415 VanDerWaalsContact O-N 3.12Å; A411-F463 HydrophobicContact CB-CB 3.61Å; A411-F463 VanDerWaalsContact CB-O 3.28Å; A411-F463 WeakPolarHBondContact CB-O 3.38Å; A411-T467 WeakPolarHBondContact CB-OG1 3.31Å; A411-T467 WeakPolarHBondContact O-CB 3.49Å; A411-T467 WeakPolarHBondContact O-CG2 3.41Å
412	V	95.4	Very high	94.4	Very high	5 Å²	5	19.5 Å²	19.5	3%	0.03	10%	0.104	C	C	.	.	H	α-helix	trans	-65.7	-38.2	172.7	174.4	0	0	0	0	111.6	F408 L409 F410 L550 L773 S777	F408-V412 HydrophobicContact CE1-CG2 4.33Å; F408-V412 HydrophobicContact CZ-CG2 4.34Å; F408-V412 WeakPolarHBondContact O-CG2 3.49Å; F408-V412 PolarHBondContact O-N 3.06Å; F408-V412 VanDerWaalsContact O-N 3.14Å; L409-V412 PolarHBondContact O-N 3.49Å; F410-V412 VanDerWaalsContact C-N 3.26Å; F410-V412 PolarHBondContact O-N 3Å; V412-L550 HydrophobicContact CG1-CD1 4.28Å; V412-L550 HydrophobicContact CG2-CD1 3.84Å; V412-L773 HydrophobicContact CB-CD2 4.27Å; V412-L773 HydrophobicContact CG1-CB 4.09Å; V412-L773 HydrophobicContact CG1-CD2 4.17Å; V412-S777 WeakPolarHBondContact O-CB 3.18Å
413	M	94.9	Very high	94.5	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-73.5	-40.6	173.9	-66.8	171.7	171.4	0	0	111.7	L409 F410 R772 L773 L776 S777 A830 H833 T834 L837	L409-M413 PolarHBondContact O-N 3.43Å; F410-M413 WeakPolarHBondContact O-CB 3.22Å; F410-M413 PolarHBondContact O-N 2.86Å; M413-R772 HydrophobicContact CE-CB 4.2Å; M413-L773 HydrophobicContact CE-CD2 3.7Å; M413-L773 HydrophobicContact CE-CG 4.17Å; M413-L773 HydrophobicContact CG-CD2 3.94Å; M413-L773 HydrophobicContact SD-CD2 4.38Å; M413-L776 HydrophobicContact CB-CB 4.2Å; M413-L776 HydrophobicContact CE-CD1 3.97Å; M413-L776 HydrophobicContact CG-CB 4.2Å; M413-L776 HydrophobicContact CG-CD1 4.19Å; M413-L776 HydrophobicContact SD-CD1 3.71Å; M413-S777 VanDerWaalsContact O-CA 3.29Å; M413-S777 WeakPolarHBondContact O-CA 3.31Å; M413-A830 HydrophobicContact CB-CB 3.89Å; M413-A830 HydrophobicContact SD-CB 4.36Å; M413-H833 HydrophobicContact CE-CB 3.7Å; M413-H833 HydrophobicContact SD-CB 3.92Å; M413-T834 PolarHBondContact SD-OG1 3.19Å; M413-L837 HydrophobicContact CE-CD1 3.76Å
414	F	93.1	Very high	94.6	Very high	1 Å²	1	21.5 Å²	21.5	0%	0.004	11%	0.112	C	C	.	.	S	Bend	trans	-107.2	51.8	-174.4	-157.9	-101	0	0	0	111.9	F410 A411 D416 H419 M423 S464 H780 L822 L823	F410-F414 HydrophobicContact CD1-CB 4.26Å; F410-F414 HydrophobicContact CE1-CB 3.69Å; F410-F414 HydrophobicContact CE1-CD1 4.07Å; F410-F414 HydrophobicContact CE1-CG 4.05Å; F410-F414 HydrophobicContact CE2-CB 4.41Å; F410-F414 HydrophobicContact CZ-CB 3.78Å; F410-F414 HydrophobicContact CZ-CD1 4.17Å; F410-F414 HydrophobicContact CZ-CD2 4.5Å; F410-F414 AromaticContact CZ-CG 3.91Å; F410-F414 HydrophobicContact CZ-CG 3.91Å; F410-F414 PolarHBondContact O-N 3.33Å; A411-F414 CarbonylContact O-C 3.6Å; A411-F414 VanDerWaalsContact O-C 3.28Å; A411-F414 PolarHBondContact O-N 3.04Å; F414-D416 PolarHBondContact O-N 3.15Å; F414-D416 VanDerWaalsContact O-N 3.12Å; F414-H419 HydrophobicContact CE1-CB 3.47Å; F414-H419 VanDerWaalsContact CE1-CB 3.47Å; F414-H419 HydrophobicContact CZ-CB 3.69Å; F414-M423 HydrophobicContact CD1-SD 3.9Å; F414-M423 HydrophobicContact CE1-SD 3.49Å; F414-M423 WeakPolarHBondContact CE1-SD 3.37Å; F414-M423 HydrophobicContact CZ-SD 4.16Å; F414-S464 PolarHBondContact O-OG 2.86Å; F414-H780 AromaticContact CD2-CE1 3.64Å; F414-H780 AromaticContact CD2-ND1 3.81Å; F414-H780 AromaticContact CE2-CE1 3.15Å; F414-H780 WeakPolarHBondContact CE2-CE1 3.37Å; F414-H780 AromaticContact CE2-ND1 3.6Å; F414-H780 AromaticContact CE2-NE2 3.87Å; F414-H780 AromaticContact CZ-CE1 3.61Å; F414-L822 WeakPolarHBondContact CE2-O 3.34Å; F414-L823 HydrophobicContact CZ-CG 4.48Å
415	G	89.9	Confident	94.7	Very high	6 Å²	6	20.7 Å²	20.7	6%	0.062	11%	0.108	C	C	.	.			trans	-86.2	68.4	-172	0	0	0	0	0	114	A411	A411-G415 VanDerWaalsContact O-CA 3.26Å; A411-G415 WeakPolarHBondContact O-CA 3.28Å; A411-G415 PolarHBondContact O-N 3.34Å; A411-G415 VanDerWaalsContact O-N 3.12Å
416	D	94.3	Very high	94.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.118	C	C	.	.			trans	-131.4	123.9	171.4	-176.2	-40.2	0	0	0	109.1	F414 G418 H419 G420 S464 F475	F414-D416 PolarHBondContact O-N 3.15Å; F414-D416 VanDerWaalsContact O-N 3.12Å; D416-G418 VanDerWaalsContact C-N 3.32Å; D416-G418 PolarHBondContact O-N 3.29Å; D416-G418 WeakPolarHBondContact OD1-CA 3.4Å; D416-G418 PolarHBondContact OD1-N 3.27Å; D416-H419 HydrophobicContact CB-CB 4.13Å; D416-H419 WeakPolarHBondContact CB-ND1 3.48Å; D416-H419 VanDerWaalsContact CG-ND1 3.3Å; D416-H419 PolarHBondContact OD1-N 3.41Å; D416-H419 IonicContact OD2-CE1 3.57Å; D416-H419 PolarHBondContact OD2-CE1 3.26Å; D416-H419 IonicContact OD2-CG 3.73Å; D416-H419 IonicContact OD2-ND1 2.79Å; D416-H419 PolarHBondContact OD2-ND1 2.97Å; D416-H419 VanDerWaalsContact OD2-ND1 3.08Å; D416-H419 IonicContact OD2-NE2 3.82Å; D416-G420 PolarHBondContact O-N 2.92Å; D416-S464 PolarHBondContact O-OG 3.47Å; D416-F475 PolarHBondContact OD1-N 3.37Å; D416-F475 VanDerWaalsContact OD1-N 3.11Å; D416-F475 PolarHBondContact OD2-N 2.99Å
417	A	93.5	Very high	94.6	Very high	9 Å²	9	23.4 Å²	23.4	7%	0.074	12%	0.118	C	C	.	.	H	α-helix	trans	-71.2	-29.1	-175.2	0	0	0	0	0	112.7	L421 L469 D473 I474	A417-L421 VanDerWaalsContact O-CB 3.29Å; A417-L421 WeakPolarHBondContact O-CB 3.43Å; A417-L421 PolarHBondContact O-N 2.88Å; A417-L469 HydrophobicContact CB-CD2 4.3Å; A417-L469 HydrophobicContact CB-CG 4.23Å; A417-D473 PolarHBondContact N-O 3.06Å; A417-I474 HydrophobicContact CB-CG1 4.2Å
418	G	93.3	Very high	94.6	Very high	3 Å²	3	26.6 Å²	26.6	3%	0.031	13%	0.134	C	C	.	.	H	α-helix	trans	-70.5	-49.2	176.1	0	0	0	0	0	111.9	D416 L421 L422 F475	D416-G418 VanDerWaalsContact C-N 3.32Å; D416-G418 PolarHBondContact O-N 3.29Å; D416-G418 WeakPolarHBondContact OD1-CA 3.4Å; D416-G418 PolarHBondContact OD1-N 3.27Å; G418-L421 PolarHBondContact O-N 3.41Å; G418-L422 PolarHBondContact O-N 2.78Å; G418-F475 VanDerWaalsContact C-CZ 3.5Å; G418-F475 VanDerWaalsContact CA-CZ 3.48Å
419	H	94.2	Very high	94.5	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-65.3	-40.6	175.7	-57.6	140.9	0	0	0	111.8	F414 D416 L421 L422 M423 F475 H780 T818 L823	F414-H419 HydrophobicContact CE1-CB 3.47Å; F414-H419 VanDerWaalsContact CE1-CB 3.47Å; F414-H419 HydrophobicContact CZ-CB 3.69Å; D416-H419 HydrophobicContact CB-CB 4.13Å; D416-H419 WeakPolarHBondContact CB-ND1 3.48Å; D416-H419 VanDerWaalsContact CG-ND1 3.3Å; D416-H419 PolarHBondContact OD1-N 3.41Å; D416-H419 IonicContact OD2-CE1 3.57Å; D416-H419 PolarHBondContact OD2-CE1 3.26Å; D416-H419 IonicContact OD2-CG 3.73Å; D416-H419 IonicContact OD2-ND1 2.79Å; D416-H419 PolarHBondContact OD2-ND1 2.97Å; D416-H419 VanDerWaalsContact OD2-ND1 3.08Å; D416-H419 IonicContact OD2-NE2 3.82Å; H419-L421 VanDerWaalsContact C-N 3.31Å; H419-L421 PolarHBondContact O-N 3.45Å; H419-L422 PolarHBondContact O-N 3.03Å; H419-M423 PolarHBondContact O-N 3.32Å; H419-F475 AromaticContact CD2-CD1 3.79Å; H419-F475 AromaticContact CD2-CE1 3.69Å; H419-F475 AromaticContact NE2-CD1 3.73Å; H419-H780 AromaticContact CE1-CE1 3.93Å; H419-H780 AromaticContact CE1-NE2 3.78Å; H419-H780 AromaticContact ND1-CE1 3.36Å; H419-H780 PolarHBondContact ND1-CE1 3.25Å; H419-H780 AromaticContact ND1-NE2 3.06Å; H419-H780 PolarHBondContact ND1-NE2 3.18Å; H419-T818 WeakPolarHBondContact NE2-CG2 3.48Å; H419-L823 HydrophobicContact CB-CD1 4.11Å; H419-L823 HydrophobicContact CB-CG 4.4Å
420	G	94.5	Very high	94.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.6	-39.3	174.8	0	0	0	0	0	112.8	D416 M423 F424 S464	D416-G420 PolarHBondContact O-N 2.92Å; G420-M423 PolarHBondContact O-N 2.93Å; G420-F424 VanDerWaalsContact O-CB 3.29Å; G420-F424 WeakPolarHBondContact O-CB 3.49Å; G420-F424 PolarHBondContact O-N 2.8Å; G420-S464 WeakPolarHBondContact CA-OG 3.49Å
421	L	95.4	Very high	94.1	Very high	84 Å²	84	30.9 Å²	30.9	44%	0.44	15%	0.152	S	C	.	.	H	α-helix	trans	-63.5	-45.3	175.4	-177.4	67.5	0	0	0	112.1	A417 G418 H419 F424 L425 I465	A417-L421 VanDerWaalsContact O-CB 3.29Å; A417-L421 WeakPolarHBondContact O-CB 3.43Å; A417-L421 PolarHBondContact O-N 2.88Å; G418-L421 PolarHBondContact O-N 3.41Å; H419-L421 VanDerWaalsContact C-N 3.31Å; H419-L421 PolarHBondContact O-N 3.45Å; L421-F424 PolarHBondContact O-N 2.85Å; L421-L425 HydrophobicContact CG-CD1 4.3Å; L421-L425 WeakPolarHBondContact O-CG 3.44Å; L421-L425 PolarHBondContact O-N 3.09Å; L421-I465 HydrophobicContact CB-CD1 4.46Å; L421-I465 HydrophobicContact CB-CG1 4.43Å; L421-I465 HydrophobicContact CD1-CD1 4.28Å
422	L	94.8	Very high	94	Very high	69 Å²	69	36.2 Å²	36.2	36%	0.361	18%	0.184	S	C	.	.	H	α-helix	trans	-62.4	-44.2	177	-70.9	177.2	0	0	0	111.7	G418 H419 L425 F426 F475 L823	G418-L422 PolarHBondContact O-N 2.78Å; H419-L422 PolarHBondContact O-N 3.03Å; L422-L425 PolarHBondContact O-N 3.43Å; L422-F426 WeakPolarHBondContact O-CB 3.47Å; L422-F426 PolarHBondContact O-N 3.38Å; L422-F475 HydrophobicContact CD1-CE1 4.06Å; L422-F475 HydrophobicContact CD1-CZ 4.09Å; L422-F475 HydrophobicContact CG-CZ 4.42Å; L422-L823 HydrophobicContact CB-CD2 3.69Å; L422-L823 HydrophobicContact CD1-CD1 4.28Å; L422-L823 HydrophobicContact CD1-CD2 4.26Å
423	M	94.5	Very high	93.7	Very high	19 Å²	19	37.6 Å²	37.6	9%	0.094	19%	0.194	C	C	.	.	H	α-helix	trans	-60.6	-43.9	173.6	-80.5	-176.9	36	0	0	112.4	F410 F414 H419 G420 F426 A427 M460 L823	F410-M423 HydrophobicContact CE1-CE 3.64Å; F410-M423 HydrophobicContact CE1-SD 4.36Å; F410-M423 HydrophobicContact CZ-CE 3.87Å; F410-M423 HydrophobicContact CZ-SD 4.26Å; F414-M423 HydrophobicContact CD1-SD 3.9Å; F414-M423 HydrophobicContact CE1-SD 3.49Å; F414-M423 WeakPolarHBondContact CE1-SD 3.37Å; F414-M423 HydrophobicContact CZ-SD 4.16Å; H419-M423 PolarHBondContact O-N 3.32Å; G420-M423 PolarHBondContact O-N 2.93Å; M423-F426 PolarHBondContact O-N 3.37Å; M423-A427 WeakPolarHBondContact O-CB 3.42Å; M423-A427 PolarHBondContact O-N 2.87Å; M423-M460 HydrophobicContact CE-CB 3.94Å; M423-L823 HydrophobicContact CG-CD2 4.04Å
424	F	96.1	Very high	93.4	Very high	47 Å²	47	39.6 Å²	39.6	21%	0.206	20%	0.203	C	C	.	.	H	α-helix	trans	-62.3	-44.8	178.1	175.5	-99.7	0	0	0	111.7	G420 L421 A427 L428 L458 L462 I465	G420-F424 VanDerWaalsContact O-CB 3.29Å; G420-F424 WeakPolarHBondContact O-CB 3.49Å; G420-F424 PolarHBondContact O-N 2.8Å; L421-F424 PolarHBondContact O-N 2.85Å; F424-A427 PolarHBondContact O-N 3.11Å; F424-L428 HydrophobicContact CE1-CD2 4.22Å; F424-L428 VanDerWaalsContact O-CB 3.22Å; F424-L428 WeakPolarHBondContact O-CB 3.5Å; F424-L428 PolarHBondContact O-N 2.89Å; F424-L458 HydrophobicContact CD2-CG 4.38Å; F424-L458 HydrophobicContact CE2-CD2 4.32Å; F424-L458 HydrophobicContact CE2-CG 4.17Å; F424-L462 HydrophobicContact CD2-CB 4.32Å; F424-L462 HydrophobicContact CE2-CD1 4.46Å; F424-I465 HydrophobicContact CB-CD1 3.98Å; F424-I465 HydrophobicContact CG-CD1 4.23Å
425	L	96	Very high	93.1	Very high	89 Å²	89	50.1 Å²	50.1	47%	0.466	24%	0.243	S	C	.	.	H	α-helix	trans	-63.8	-42.4	177.8	-71.4	175.6	0	0	0	112.1	L421 L422 L428 W429	L421-L425 HydrophobicContact CG-CD1 4.3Å; L421-L425 WeakPolarHBondContact O-CG 3.44Å; L421-L425 PolarHBondContact O-N 3.09Å; L422-L425 PolarHBondContact O-N 3.43Å; L425-L428 PolarHBondContact O-N 3.41Å; L425-W429 WeakPolarHBondContact O-CB 3.45Å; L425-W429 PolarHBondContact O-N 3.03Å
426	F	93.6	Very high	92.8	Very high	85 Å²	85	57.7 Å²	57.7	37%	0.373	27%	0.274	S	S	.	.	H	α-helix	trans	-62.7	-44	175.7	178.4	-109.6	0	0	0	112	L422 M423 W429 M430 W447	L422-F426 WeakPolarHBondContact O-CB 3.47Å; L422-F426 PolarHBondContact O-N 3.38Å; M423-F426 PolarHBondContact O-N 3.37Å; F426-W429 HydrophobicContact CD2-CE3 4.06Å; F426-W429 HydrophobicContact CD2-CZ3 4.37Å; F426-W429 AromaticContact CE2-CE3 3.96Å; F426-W429 HydrophobicContact CE2-CE3 3.96Å; F426-W429 AromaticContact CE2-CZ3 3.84Å; F426-W429 HydrophobicContact CE2-CZ3 3.84Å; F426-W429 PolarHBondContact O-N 2.98Å; F426-M430 HydrophobicContact CD1-CE 3.74Å; F426-M430 HydrophobicContact CE1-CE 3.46Å; F426-M430 VanDerWaalsContact CE1-CE 3.46Å; F426-M430 HydrophobicContact CE1-SD 3.96Å; F426-M430 HydrophobicContact CZ-CE 4.14Å; F426-M430 HydrophobicContact CZ-SD 4.05Å; F426-M430 PolarHBondContact O-N 3.29Å; F426-W447 HydrophobicContact CZ-CZ3 4.45Å
427	A	93.9	Very high	92.2	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-66.3	-40.8	176.1	0	0	0	0	0	112.6	M423 F424 W429 M430 V431 I457 L458	M423-A427 WeakPolarHBondContact O-CB 3.42Å; M423-A427 PolarHBondContact O-N 2.87Å; F424-A427 PolarHBondContact O-N 3.11Å; A427-W429 VanDerWaalsContact C-N 3.31Å; A427-W429 PolarHBondContact O-N 3.46Å; A427-M430 PolarHBondContact O-N 2.95Å; A427-V431 WeakPolarHBondContact O-CG2 3.42Å; A427-V431 PolarHBondContact O-N 2.93Å; A427-I457 HydrophobicContact CB-CB 4.03Å; A427-I457 HydrophobicContact CB-CG2 3.82Å; A427-L458 HydrophobicContact CB-CB 3.87Å
428	L	95.1	Very high	91.4	Very high	66 Å²	66	61.4 Å²	61.4	35%	0.346	30%	0.297	S	S	.	.	H	α-helix	trans	-60.9	-42.4	176	-175.6	68.2	0	0	0	110.8	F424 L425 M430 V431 V432	F424-L428 HydrophobicContact CE1-CD2 4.22Å; F424-L428 VanDerWaalsContact O-CB 3.22Å; F424-L428 WeakPolarHBondContact O-CB 3.5Å; F424-L428 PolarHBondContact O-N 2.89Å; L425-L428 PolarHBondContact O-N 3.41Å; L428-M430 PolarHBondContact O-N 3.46Å; L428-V431 PolarHBondContact O-N 3.15Å; L428-V432 HydrophobicContact CD1-CG2 4.36Å; L428-V432 HydrophobicContact CG-CG2 4.34Å; L428-V432 VanDerWaalsContact O-CG2 3.31Å; L428-V432 WeakPolarHBondContact O-CG2 3.47Å; L428-V432 PolarHBondContact O-N 2.94Å
429	W	94.5	Very high	90.4	Very high	130 Å²	130	65 Å²	65	49%	0.492	33%	0.326	S	S	.	.	H	α-helix	trans	-58.8	-45.2	175	173.4	67.3	0	0	0	112.3	L425 F426 A427 V431 V432 C433 W447	L425-W429 WeakPolarHBondContact O-CB 3.45Å; L425-W429 PolarHBondContact O-N 3.03Å; F426-W429 HydrophobicContact CD2-CE3 4.06Å; F426-W429 HydrophobicContact CD2-CZ3 4.37Å; F426-W429 AromaticContact CE2-CE3 3.96Å; F426-W429 HydrophobicContact CE2-CE3 3.96Å; F426-W429 AromaticContact CE2-CZ3 3.84Å; F426-W429 HydrophobicContact CE2-CZ3 3.84Å; F426-W429 PolarHBondContact O-N 2.98Å; A427-W429 VanDerWaalsContact C-N 3.31Å; A427-W429 PolarHBondContact O-N 3.46Å; W429-V431 VanDerWaalsContact C-N 3.33Å; W429-V431 PolarHBondContact O-N 3.46Å; W429-V432 PolarHBondContact O-N 3.35Å; W429-C433 WeakPolarHBondContact O-CB 3.42Å; W429-C433 PolarHBondContact O-N 2.89Å; W429-W447 HydrophobicContact CH2-CH2 4.13Å; W429-W447 AromaticContact CZ3-CH2 3.9Å; W429-W447 HydrophobicContact CZ3-CH2 3.9Å
430	M	91.2	Very high	89.2	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-62.7	-36.9	175.2	-70.6	-170.7	-71.7	0	0	113.1	F426 A427 L428 E434 R454 I457	F426-M430 HydrophobicContact CD1-CE 3.74Å; F426-M430 HydrophobicContact CE1-CE 3.46Å; F426-M430 VanDerWaalsContact CE1-CE 3.46Å; F426-M430 HydrophobicContact CE1-SD 3.96Å; F426-M430 HydrophobicContact CZ-CE 4.14Å; F426-M430 HydrophobicContact CZ-SD 4.05Å; F426-M430 PolarHBondContact O-N 3.29Å; A427-M430 PolarHBondContact O-N 2.95Å; L428-M430 PolarHBondContact O-N 3.46Å; M430-E434 PolarHBondContact O-N 2.83Å; M430-R454 HydrophobicContact CB-CB 4.3Å; M430-I457 HydrophobicContact CE-CD1 4Å
431	V	92.3	Very high	87.7	Confident	33 Å²	33	79.5 Å²	79.5	20%	0.2	40%	0.396	C	S	.	.	H	α-helix	trans	-72	-41.5	178.1	172.9	0	0	0	0	111.5	A427 L428 W429 E434 R454 Y455 L458	A427-V431 WeakPolarHBondContact O-CG2 3.42Å; A427-V431 PolarHBondContact O-N 2.93Å; L428-V431 PolarHBondContact O-N 3.15Å; W429-V431 VanDerWaalsContact C-N 3.33Å; W429-V431 PolarHBondContact O-N 3.46Å; V431-E434 WeakPolarHBondContact O-CB 3.22Å; V431-E434 PolarHBondContact O-N 3.35Å; V431-R454 HydrophobicContact CG2-CB 4.21Å; V431-R454 HydrophobicContact CG2-CG 4.11Å; V431-Y455 HydrophobicContact CG1-CE1 4.18Å; V431-Y455 HydrophobicContact CG2-CD1 4.23Å; V431-Y455 HydrophobicContact CG2-CE1 4.08Å; V431-L458 HydrophobicContact CG2-CD1 3.96Å
432	V	93	Very high	86.1	Confident	111 Å²	111	78.2 Å²	78.2	67%	0.673	39%	0.393	S	S	*	.	H	α-helix	trans	-67.9	-38.6	178.7	171.7	0	0	0	0	111.3	L428 W429 E434	L428-V432 HydrophobicContact CD1-CG2 4.36Å; L428-V432 HydrophobicContact CG-CG2 4.34Å; L428-V432 VanDerWaalsContact O-CG2 3.31Å; L428-V432 WeakPolarHBondContact O-CG2 3.47Å; L428-V432 PolarHBondContact O-N 2.94Å; W429-V432 PolarHBondContact O-N 3.35Å; V432-E434 VanDerWaalsContact C-N 3.34Å; V432-E434 PolarHBondContact O-N 2.94Å
433	C	89.7	Confident	84.6	Confident	34 Å²	34	78.8 Å²	78.8	23%	0.23	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	13.5	179.8	-65.6	0	0	0	0	114.4	W429 R435 K436 L437	W429-C433 WeakPolarHBondContact O-CB 3.42Å; W429-C433 PolarHBondContact O-N 2.89Å; C433-R435 VanDerWaalsContact C-N 3.31Å; C433-R435 PolarHBondContact O-N 3.02Å; C433-R435 VanDerWaalsContact O-N 3.11Å; C433-K436 PolarHBondContact O-N 3.16Å; C433-L437 HydrophobicContact CB-CD1 3.39Å; C433-L437 VanDerWaalsContact O-CD1 3.23Å; C433-L437 WeakPolarHBondContact O-CD1 3.32Å; C433-L437 PolarHBondContact O-N 3.41Å; C433-L437 VanDerWaalsContact O-N 3.07Å
434	E	89.5	Confident	83.9	Confident	44 Å²	44	79.4 Å²	79.4	21%	0.206	43%	0.427	C	S	.	.	H	α-helix	trans	-47	-45.1	-174.8	178.4	-179.6	-174.7	0	0	114	M430 V431 V432 S438 F451 R454 Y455	M430-E434 PolarHBondContact O-N 2.83Å; V431-E434 WeakPolarHBondContact O-CB 3.22Å; V431-E434 PolarHBondContact O-N 3.35Å; V432-E434 VanDerWaalsContact C-N 3.34Å; V432-E434 PolarHBondContact O-N 2.94Å; E434-S438 VanDerWaalsContact O-CB 3.28Å; E434-S438 WeakPolarHBondContact O-CB 3.39Å; E434-S438 PolarHBondContact O-N 3.47Å; E434-S438 PolarHBondContact O-OG 3.29Å; E434-F451 HydrophobicContact CG-CZ 4.18Å; E434-R454 VanDerWaalsContact CD-NH2 3.32Å; E434-R454 IonicContact OE1-CZ 3.37Å; E434-R454 IonicContact OE1-NE 3.49Å; E434-R454 IonicContact OE1-NH2 2.68Å; E434-R454 PolarHBondContact OE1-NH2 3.46Å; E434-Y455 PolarHBondContact OE2-OH 3.19Å
435	R	85.5	Confident	83.3	Confident	223 Å²	223	84.6 Å²	84.6	84%	0.842	45%	0.452	S	S	*	.	H	α-helix	trans	-67	-37.5	-178.8	-66.9	-175.7	-178.2	175.8	0.2	113.4	C433 S438 A439	C433-R435 VanDerWaalsContact C-N 3.31Å; C433-R435 PolarHBondContact O-N 3.02Å; C433-R435 VanDerWaalsContact O-N 3.11Å; R435-S438 WeakPolarHBondContact CA-OG 3.3Å; R435-S438 PolarHBondContact O-OG 3.06Å; R435-A439 PolarHBondContact O-N 2.98Å
436	K	84.6	Confident	82.8	Confident	165 Å²	165	86.3 Å²	86.3	72%	0.717	46%	0.46	S	S	*	.	H	α-helix	trans	-74.7	-41.8	-179.9	-67	-175.8	178.9	-178	0	110.9	C433 N440	C433-K436 PolarHBondContact O-N 3.16Å; K436-N440 PolarHBondContact O-N 2.93Å
437	L	81	Confident	82.5	Confident	29 Å²	29	86.1 Å²	86.1	15%	0.152	46%	0.457	C	S	.	.	H	α-helix	trans	-70.9	-36.6	179.8	-84.2	74.4	0	0	0	112.2	C433 A439 N440 W447 F451	C433-L437 HydrophobicContact CB-CD1 3.39Å; C433-L437 VanDerWaalsContact O-CD1 3.23Å; C433-L437 WeakPolarHBondContact O-CD1 3.32Å; C433-L437 PolarHBondContact O-N 3.41Å; C433-L437 VanDerWaalsContact O-N 3.07Å; L437-A439 VanDerWaalsContact C-N 3.33Å; L437-A439 PolarHBondContact O-N 3.28Å; L437-N440 CarbonylContact O-C 3.49Å; L437-N440 PolarHBondContact O-N 3.37Å; L437-N440 VanDerWaalsContact O-O 3.12Å; L437-W447 HydrophobicContact CD2-CH2 4.43Å; L437-W447 HydrophobicContact CD2-CZ2 3.5Å; L437-W447 VanDerWaalsContact CD2-CZ2 3.5Å; L437-W447 HydrophobicContact CG-CZ2 4.35Å; L437-F451 HydrophobicContact CB-CD2 4.12Å; L437-F451 HydrophobicContact CB-CE2 3.59Å; L437-F451 HydrophobicContact CB-CZ 3.98Å; L437-F451 HydrophobicContact CD2-CD2 3.79Å; L437-F451 HydrophobicContact CD2-CE2 3.84Å; L437-F451 HydrophobicContact CG-CE2 4.38Å
438	S	76.1	Confident	82	Confident	58 Å²	58	89.5 Å²	89.5	41%	0.406	48%	0.476	S	S	.	.	H	α-helix	trans	-68.4	-30.2	177.5	51	0	0	0	0	113.4	E434 R435	E434-S438 VanDerWaalsContact O-CB 3.28Å; E434-S438 WeakPolarHBondContact O-CB 3.39Å; E434-S438 PolarHBondContact O-N 3.47Å; E434-S438 PolarHBondContact O-OG 3.29Å; R435-S438 WeakPolarHBondContact CA-OG 3.3Å; R435-S438 PolarHBondContact O-OG 3.06Å
439	A	72.7	Confident	81.6	Confident	78 Å²	78	92 Å²	92	65%	0.645	49%	0.488	S	S	*	.	H	α-helix	trans	-71.3	-42	173.6	0	0	0	0	0	111.9	R435 L437 K441	R435-A439 PolarHBondContact O-N 2.98Å; L437-A439 VanDerWaalsContact C-N 3.33Å; L437-A439 PolarHBondContact O-N 3.28Å; A439-K441 PolarHBondContact O-N 3.12Å; A439-K441 VanDerWaalsContact O-N 3.15Å
440	N	69.4	Low	81.2	Confident	131 Å²	131	90.5 Å²	90.5	70%	0.701	49%	0.485	S	S	*	.	S	Bend	trans	-88.2	72.8	176	-72	-2.7	0	0	0	110.4	K436 L437 S442	K436-N440 PolarHBondContact O-N 2.93Å; L437-N440 CarbonylContact O-C 3.49Å; L437-N440 PolarHBondContact O-N 3.37Å; L437-N440 VanDerWaalsContact O-O 3.12Å; N440-S442 PolarHBondContact O-N 3.42Å
441	K	63.3	Low	81.1	Confident	175 Å²	175	91.9 Å²	91.9	76%	0.761	49%	0.491	S	S	*	.			trans	-59	102.1	171.3	-73.7	-172.4	179.1	-179.2	0	109.2	A439	A439-K441 PolarHBondContact O-N 3.12Å; A439-K441 VanDerWaalsContact O-N 3.15Å
442	S	61.4	Low	80.9	Confident	56 Å²	56	93.3 Å²	93.3	39%	0.392	50%	0.502	S	S	.	.			trans	-69.2	138.3	174	-176.7	0	0	0	0	109	N440 G444 N448	N440-S442 PolarHBondContact O-N 3.42Å; S442-G444 PolarHBondContact O-N 3.34Å; S442-G444 VanDerWaalsContact O-N 3.16Å; S442-G444 PolarHBondContact OG-N 2.8Å; S442-N448 PolarHBondContact O-ND2 3.34Å
443	G	64	Low	80.7	Confident	82 Å²	82	88.5 Å²	88.5	85%	0.845	48%	0.476	S	S	*	.	S	Bend	trans	-67.4	-5	172.4	0	0	0	0	0	113.7	E445	G443-E445 PolarHBondContact O-N 3.35Å
444	G	78	Confident	80.8	Confident	31 Å²	31	88.1 Å²	88.1	32%	0.32	47%	0.469	S	S	.	.			trans	-75.4	109.5	175.6	0	0	0	0	0	112.2	S442 I446 W447 N448	S442-G444 PolarHBondContact O-N 3.34Å; S442-G444 VanDerWaalsContact O-N 3.16Å; S442-G444 PolarHBondContact OG-N 2.8Å; G444-I446 VanDerWaalsContact C-N 3.27Å; G444-I446 PolarHBondContact O-N 3.02Å; G444-W447 PolarHBondContact O-N 3.21Å; G444-W447 VanDerWaalsContact O-N 3.13Å; G444-N448 PolarHBondContact O-N 2.81Å
445	E	84.6	Confident	81	Confident	157 Å²	157	86.9 Å²	86.9	73%	0.734	46%	0.463	S	S	*	.	H	α-helix	trans	-53.6	-43.7	175.7	-64.4	-179.4	171.2	0	0	112.3	G443 W447 N448 I449	G443-E445 PolarHBondContact O-N 3.35Å; E445-W447 VanDerWaalsContact C-N 3.33Å; E445-W447 PolarHBondContact O-N 3.29Å; E445-N448 PolarHBondContact O-N 3.43Å; E445-I449 WeakPolarHBondContact O-CG1 3.39Å; E445-I449 PolarHBondContact O-N 3.05Å
446	I	86	Confident	81.5	Confident	124 Å²	124	76.6 Å²	76.6	64%	0.636	42%	0.424	S	S	*	.	H	α-helix	trans	-58.9	-45	179.4	-60.8	170.4	0	0	0	110.7	G444 N448 I449 F450	G444-I446 VanDerWaalsContact C-N 3.27Å; G444-I446 PolarHBondContact O-N 3.02Å; I446-N448 VanDerWaalsContact C-N 3.33Å; I446-N448 PolarHBondContact O-N 3.03Å; I446-I449 PolarHBondContact O-N 2.94Å; I446-F450 HydrophobicContact CG2-CD2 3.7Å; I446-F450 HydrophobicContact CG2-CE2 3.59Å; I446-F450 VanDerWaalsContact O-CD2 3.24Å; I446-F450 WeakPolarHBondContact O-CD2 3.43Å; I446-F450 PolarHBondContact O-N 3.45Å
447	W	85.7	Confident	81.9	Confident	81 Å²	81	69.8 Å²	69.8	31%	0.307	40%	0.396	S	S	.	.	H	α-helix	trans	-63.9	-39.5	-179.9	-176.9	-102.8	0	0	0	112	F426 W429 L437 G444 E445 I449 F450 F451	F426-W447 HydrophobicContact CZ-CZ3 4.45Å; W429-W447 HydrophobicContact CH2-CH2 4.13Å; W429-W447 AromaticContact CZ3-CH2 3.9Å; W429-W447 HydrophobicContact CZ3-CH2 3.9Å; L437-W447 HydrophobicContact CD2-CH2 4.43Å; L437-W447 HydrophobicContact CD2-CZ2 3.5Å; L437-W447 VanDerWaalsContact CD2-CZ2 3.5Å; L437-W447 HydrophobicContact CG-CZ2 4.35Å; G444-W447 PolarHBondContact O-N 3.21Å; G444-W447 VanDerWaalsContact O-N 3.13Å; E445-W447 VanDerWaalsContact C-N 3.33Å; E445-W447 PolarHBondContact O-N 3.29Å; W447-I449 VanDerWaalsContact C-N 3.34Å; W447-I449 PolarHBondContact O-N 2.87Å; W447-F450 PolarHBondContact O-N 2.75Å; W447-F451 VanDerWaalsContact O-CB 3.32Å; W447-F451 WeakPolarHBondContact O-CB 3.49Å; W447-F451 PolarHBondContact O-N 3.4Å
448	N	84.2	Confident	82.6	Confident	72 Å²	72	70 Å²	70	39%	0.385	40%	0.397	S	S	.	.	H	α-helix	trans	-65.5	-38.4	177.9	-67.6	-28	0	0	0	111.6	S442 G444 E445 I446 F451 S452	S442-N448 PolarHBondContact O-ND2 3.34Å; G444-N448 PolarHBondContact O-N 2.81Å; E445-N448 PolarHBondContact O-N 3.43Å; I446-N448 VanDerWaalsContact C-N 3.33Å; I446-N448 PolarHBondContact O-N 3.03Å; N448-F451 PolarHBondContact O-N 3.42Å; N448-S452 WeakPolarHBondContact O-CB 3.39Å; N448-S452 PolarHBondContact O-N 2.97Å
449	I	87.3	Confident	83.5	Confident	118 Å²	118	68.6 Å²	68.6	61%	0.605	38%	0.384	S	S	*	.	H	α-helix	trans	-61.8	-51.1	173.5	-64.3	166	0	0	0	110.2	E445 I446 W447 F451 S452 G453	E445-I449 WeakPolarHBondContact O-CG1 3.39Å; E445-I449 PolarHBondContact O-N 3.05Å; I446-I449 PolarHBondContact O-N 2.94Å; W447-I449 VanDerWaalsContact C-N 3.34Å; W447-I449 PolarHBondContact O-N 2.87Å; I449-F451 PolarHBondContact O-N 2.65Å; I449-S452 PolarHBondContact O-N 2.88Å; I449-S452 PolarHBondContact O-OG 3.4Å; I449-G453 PolarHBondContact O-N 2.82Å
450	F	86.5	Confident	84.6	Confident	99 Å²	99	65.4 Å²	65.4	43%	0.434	36%	0.356	S	S	.	.	H	α-helix	trans	-60.3	-42.7	178	-83.8	-75.1	0	0	0	112.8	I446 W447 S452 G453 R454 I457	I446-F450 HydrophobicContact CG2-CD2 3.7Å; I446-F450 HydrophobicContact CG2-CE2 3.59Å; I446-F450 VanDerWaalsContact O-CD2 3.24Å; I446-F450 WeakPolarHBondContact O-CD2 3.43Å; I446-F450 PolarHBondContact O-N 3.45Å; W447-F450 PolarHBondContact O-N 2.75Å; F450-S452 PolarHBondContact O-N 3.06Å; F450-G453 PolarHBondContact O-N 2.78Å; F450-R454 PolarHBondContact O-N 3.33Å; F450-I457 HydrophobicContact CD1-CD1 3.86Å
451	F	88.4	Confident	85.9	Confident	29 Å²	29	59.1 Å²	59.1	13%	0.127	32%	0.323	C	S	.	.	H	α-helix	trans	-67.1	-35.7	-179.8	-176.1	-107.5	0	0	0	112.5	E434 L437 W447 N448 I449 G453 R454	E434-F451 HydrophobicContact CG-CZ 4.18Å; L437-F451 HydrophobicContact CB-CD2 4.12Å; L437-F451 HydrophobicContact CB-CE2 3.59Å; L437-F451 HydrophobicContact CB-CZ 3.98Å; L437-F451 HydrophobicContact CD2-CD2 3.79Å; L437-F451 HydrophobicContact CD2-CE2 3.84Å; L437-F451 HydrophobicContact CG-CE2 4.38Å; W447-F451 VanDerWaalsContact O-CB 3.32Å; W447-F451 WeakPolarHBondContact O-CB 3.49Å; W447-F451 PolarHBondContact O-N 3.4Å; N448-F451 PolarHBondContact O-N 3.42Å; I449-F451 PolarHBondContact O-N 2.65Å; F451-G453 VanDerWaalsContact C-N 3.32Å; F451-R454 VanDerWaalsContact CE1-NH1 3.33Å; F451-R454 WeakPolarHBondContact O-CG 3.46Å; F451-R454 PolarHBondContact O-N 2.8Å; F451-R454 PolarHBondContact O-NH1 3.25Å
452	S	87	Confident	87.4	Confident	62 Å²	62	54.7 Å²	54.7	43%	0.434	31%	0.307	S	S	.	.	H	α-helix	trans	-64.6	-37	174.4	77.3	0	0	0	0	111.9	A380 N448 I449 F450 R454	A380-S452 WeakPolarHBondContact CB-O 3.44Å; N448-S452 WeakPolarHBondContact O-CB 3.39Å; N448-S452 PolarHBondContact O-N 2.97Å; I449-S452 PolarHBondContact O-N 2.88Å; I449-S452 PolarHBondContact O-OG 3.4Å; F450-S452 PolarHBondContact O-N 3.06Å; S452-R454 PolarHBondContact O-N 2.86Å
453	G	89.2	Confident	89.1	Confident	11 Å²	11	54.3 Å²	54.3	11%	0.113	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	10.2	179.8	0	0	0	0	0	115.9	I449 F450 F451 Y455 I456 I457	I449-G453 PolarHBondContact O-N 2.82Å; F450-G453 PolarHBondContact O-N 2.78Å; F451-G453 VanDerWaalsContact C-N 3.32Å; G453-Y455 VanDerWaalsContact C-N 3.27Å; G453-Y455 PolarHBondContact O-N 2.74Å; G453-Y455 VanDerWaalsContact O-N 3.11Å; G453-I456 WeakPolarHBondContact O-CB 3.17Å; G453-I456 PolarHBondContact O-N 3.28Å; G453-I457 PolarHBondContact O-N 3.39Å
454	R	93.2	Very high	90.6	Very high	26 Å²	26	50.4 Å²	50.4	10%	0.098	26%	0.258	C	S	.	.	H	α-helix	trans	-51.8	-39.5	-171.9	63.4	-177.8	172.2	-88.8	1.5	114.7	M430 V431 E434 F450 F451 S452 L458	M430-R454 HydrophobicContact CB-CB 4.3Å; V431-R454 HydrophobicContact CG2-CB 4.21Å; V431-R454 HydrophobicContact CG2-CG 4.11Å; E434-R454 VanDerWaalsContact CD-NH2 3.32Å; E434-R454 IonicContact OE1-CZ 3.37Å; E434-R454 IonicContact OE1-NE 3.49Å; E434-R454 IonicContact OE1-NH2 2.68Å; E434-R454 PolarHBondContact OE1-NH2 3.46Å; F450-R454 PolarHBondContact O-N 3.33Å; F451-R454 VanDerWaalsContact CE1-NH1 3.33Å; F451-R454 WeakPolarHBondContact O-CG 3.46Å; F451-R454 PolarHBondContact O-N 2.8Å; F451-R454 PolarHBondContact O-NH1 3.25Å; S452-R454 PolarHBondContact O-N 2.86Å; R454-L458 WeakPolarHBondContact O-CB 3.41Å; R454-L458 PolarHBondContact O-N 3.39Å
455	Y	93.5	Very high	91.5	Very high	18 Å²	18	50.7 Å²	50.7	7%	0.071	25%	0.252	C	S	.	.	H	α-helix	trans	-73	-29.7	-179.8	-64.8	-63.1	0	0	0	113	K376 F377 V431 E434 G453 L459	K376-Y455 HydrophobicContact CB-CE2 4.43Å; K376-Y455 WeakPolarHBondContact CE-OH 2.96Å; K376-Y455 HydrophobicContact CG-CE2 4.26Å; K376-Y455 WeakPolarHBondContact O-CD2 3.38Å; K376-Y455 VanDerWaalsContact O-CE2 3.3Å; K376-Y455 WeakPolarHBondContact O-CE2 3.33Å; F377-Y455 HydrophobicContact CB-CD2 4.49Å; F377-Y455 AromaticContact CD2-CD1 3.78Å; F377-Y455 HydrophobicContact CD2-CD1 3.78Å; F377-Y455 HydrophobicContact CD2-CD2 4.27Å; F377-Y455 AromaticContact CD2-CG 3.64Å; F377-Y455 HydrophobicContact CD2-CG 3.64Å; F377-Y455 HydrophobicContact CE2-CD1 4.35Å; F377-Y455 HydrophobicContact CE2-CG 4.27Å; V431-Y455 HydrophobicContact CG1-CE1 4.18Å; V431-Y455 HydrophobicContact CG2-CD1 4.23Å; V431-Y455 HydrophobicContact CG2-CE1 4.08Å; E434-Y455 PolarHBondContact OE2-OH 3.19Å; G453-Y455 VanDerWaalsContact C-N 3.27Å; G453-Y455 PolarHBondContact O-N 2.74Å; G453-Y455 VanDerWaalsContact O-N 3.11Å; Y455-L459 PolarHBondContact O-N 3.36Å; Y455-L459 VanDerWaalsContact O-N 3.13Å
456	I	94.5	Very high	92	Very high	6 Å²	6	48.7 Å²	48.7	3%	0.031	24%	0.239	C	C	.	.	H	α-helix	trans	-68.7	-47.9	175.7	-57.7	164.8	0	0	0	108.9	A380 F381 I384 F406 G453 L458 L459 M460 F831	A380-I456 HydrophobicContact CB-CD1 3.77Å; A380-I456 HydrophobicContact CB-CG1 4.16Å; F381-I456 HydrophobicContact CD1-CG1 4.05Å; F381-I456 HydrophobicContact CD2-CG1 4.13Å; F381-I456 HydrophobicContact CE1-CB 4.38Å; F381-I456 HydrophobicContact CE1-CG1 3.73Å; F381-I456 HydrophobicContact CE1-CG2 4.22Å; F381-I456 HydrophobicContact CE2-CG1 3.81Å; F381-I456 HydrophobicContact CG-CG1 4.26Å; F381-I456 HydrophobicContact CZ-CB 4.19Å; F381-I456 HydrophobicContact CZ-CG1 3.6Å; F381-I456 HydrophobicContact CZ-CG2 4.42Å; I384-I456 HydrophobicContact CD1-CD1 3.39Å; I384-I456 HydrophobicContact CG1-CD1 4.46Å; F406-I456 HydrophobicContact CD1-CG2 4.27Å; F406-I456 HydrophobicContact CE1-CG2 4.05Å; G453-I456 WeakPolarHBondContact O-CB 3.17Å; G453-I456 PolarHBondContact O-N 3.28Å; I456-L458 VanDerWaalsContact C-N 3.28Å; I456-L458 PolarHBondContact O-N 3.34Å; I456-L459 PolarHBondContact O-N 3.03Å; I456-M460 HydrophobicContact CG2-CE 4.11Å; I456-M460 HydrophobicContact CG2-CG 4.29Å; I456-M460 HydrophobicContact CG2-SD 4.16Å; I456-M460 WeakPolarHBondContact O-CB 3.15Å; I456-M460 VanDerWaalsContact O-CG 3.29Å; I456-M460 WeakPolarHBondContact O-CG 3.25Å; I456-M460 PolarHBondContact O-N 2.87Å; I456-F831 HydrophobicContact CG2-CE2 4.37Å
457	I	94.3	Very high	92.4	Very high	23 Å²	23	43.1 Å²	43.1	12%	0.118	21%	0.21	C	C	.	.	H	α-helix	trans	-62	-38.7	178.8	-54.6	169.6	0	0	0	110.7	A427 M430 F450 G453 M460 G461	A427-I457 HydrophobicContact CB-CB 4.03Å; A427-I457 HydrophobicContact CB-CG2 3.82Å; M430-I457 HydrophobicContact CE-CD1 4Å; F450-I457 HydrophobicContact CD1-CD1 3.86Å; G453-I457 PolarHBondContact O-N 3.39Å; I457-M460 HydrophobicContact CB-CE 4.28Å; I457-M460 HydrophobicContact CG1-CE 3.96Å; I457-M460 PolarHBondContact O-N 2.94Å; I457-G461 PolarHBondContact O-N 2.98Å
458	L	95.3	Very high	92.8	Very high	34 Å²	34	39.2 Å²	39.2	18%	0.178	20%	0.196	C	C	.	.	H	α-helix	trans	-59.9	-48.9	175.6	-174	151.5	0	0	0	111.8	F424 A427 V431 R454 I456 G461 L462	F424-L458 HydrophobicContact CD2-CG 4.38Å; F424-L458 HydrophobicContact CE2-CD2 4.32Å; F424-L458 HydrophobicContact CE2-CG 4.17Å; A427-L458 HydrophobicContact CB-CB 3.87Å; V431-L458 HydrophobicContact CG2-CD1 3.96Å; R454-L458 WeakPolarHBondContact O-CB 3.41Å; R454-L458 PolarHBondContact O-N 3.39Å; I456-L458 VanDerWaalsContact C-N 3.28Å; I456-L458 PolarHBondContact O-N 3.34Å; L458-G461 PolarHBondContact O-N 2.87Å; L458-L462 PolarHBondContact O-N 2.93Å
459	L	95.5	Very high	93.2	Very high	27 Å²	27	38.9 Å²	38.9	14%	0.141	19%	0.193	C	C	.	.	H	α-helix	trans	-67.1	-39.3	177.6	-76.6	-179.3	0	0	0	112.2	F377 F381 V403 P407 Y455 I456 G461 L462 F463	F377-L459 HydrophobicContact CE2-CD1 4.16Å; F377-L459 HydrophobicContact CZ-CD1 3.61Å; F377-L459 HydrophobicContact CZ-CG 4.46Å; F381-L459 HydrophobicContact CE2-CD1 4.29Å; F381-L459 HydrophobicContact CZ-CD1 3.85Å; V403-L459 HydrophobicContact CG1-CD1 4.43Å; P407-L459 HydrophobicContact CB-CB 3.82Å; P407-L459 HydrophobicContact CG-CB 3.71Å; P407-L459 HydrophobicContact CG-CD1 4.24Å; Y455-L459 PolarHBondContact O-N 3.36Å; Y455-L459 VanDerWaalsContact O-N 3.13Å; I456-L459 PolarHBondContact O-N 3.03Å; L459-G461 VanDerWaalsContact C-N 3.35Å; L459-G461 PolarHBondContact O-N 2.89Å; L459-L462 PolarHBondContact O-N 3.15Å; L459-F463 HydrophobicContact CB-CD2 4.44Å; L459-F463 HydrophobicContact CB-CE2 4.49Å; L459-F463 HydrophobicContact CD2-CE2 4.34Å; L459-F463 WeakPolarHBondContact O-CD2 3.06Å; L459-F463 PolarHBondContact O-N 3.18Å
460	M	95.7	Very high	93.5	Very high	11 Å²	11	35.2 Å²	35.2	5%	0.054	17%	0.174	C	C	.	.	H	α-helix	trans	-59.7	-45.1	175.5	-74.9	-169.1	-53	0	0	111.5	F406 P407 F410 M423 I456 I457 S464 F831	F406-M460 HydrophobicContact CE1-SD 4.07Å; P407-M460 HydrophobicContact CB-CG 4.13Å; P407-M460 HydrophobicContact CG-CG 4.5Å; F410-M460 HydrophobicContact CB-CG 4.22Å; F410-M460 HydrophobicContact CB-SD 4.13Å; F410-M460 HydrophobicContact CD1-CB 3.59Å; F410-M460 HydrophobicContact CD1-CG 3.67Å; F410-M460 HydrophobicContact CD1-SD 3.77Å; F410-M460 HydrophobicContact CD2-SD 3.68Å; F410-M460 HydrophobicContact CE1-CB 3.79Å; F410-M460 HydrophobicContact CE1-CG 4.22Å; F410-M460 HydrophobicContact CE1-SD 4.1Å; F410-M460 HydrophobicContact CE2-SD 3.99Å; F410-M460 HydrophobicContact CG-CB 4.33Å; F410-M460 HydrophobicContact CG-CG 3.89Å; F410-M460 HydrophobicContact CG-SD 3.55Å; F410-M460 VanDerWaalsContact CG-SD 3.55Å; F410-M460 HydrophobicContact CZ-SD 4.19Å; M423-M460 HydrophobicContact CE-CB 3.94Å; I456-M460 HydrophobicContact CG2-CE 4.11Å; I456-M460 HydrophobicContact CG2-CG 4.29Å; I456-M460 HydrophobicContact CG2-SD 4.16Å; I456-M460 WeakPolarHBondContact O-CB 3.15Å; I456-M460 VanDerWaalsContact O-CG 3.29Å; I456-M460 WeakPolarHBondContact O-CG 3.25Å; I456-M460 PolarHBondContact O-N 2.87Å; I457-M460 HydrophobicContact CB-CE 4.28Å; I457-M460 HydrophobicContact CG1-CE 3.96Å; I457-M460 PolarHBondContact O-N 2.94Å; M460-S464 WeakPolarHBondContact O-CB 3.46Å; M460-S464 PolarHBondContact O-N 3.48Å; M460-F831 HydrophobicContact CE-CD2 3.98Å; M460-F831 HydrophobicContact CE-CE2 4.4Å; M460-F831 HydrophobicContact SD-CD2 3.76Å; M460-F831 HydrophobicContact SD-CE2 4.36Å
461	G	95.5	Very high	93.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.1	-45.6	174.8	0	0	0	0	0	112.1	I457 L458 L459 S464 I465	I457-G461 PolarHBondContact O-N 2.98Å; L458-G461 PolarHBondContact O-N 2.87Å; L459-G461 VanDerWaalsContact C-N 3.35Å; L459-G461 PolarHBondContact O-N 2.89Å; G461-S464 PolarHBondContact O-N 3.3Å; G461-I465 VanDerWaalsContact O-CG1 3.29Å; G461-I465 WeakPolarHBondContact O-CG1 3.47Å; G461-I465 PolarHBondContact O-N 3.27Å
462	L	96.1	Very high	94	Very high	81 Å²	81	30.8 Å²	30.8	42%	0.424	16%	0.155	S	C	.	.	H	α-helix	trans	-62.8	-46.6	179.4	-174.8	66.8	0	0	0	112.8	F424 L458 L459 I465 Y466	F424-L462 HydrophobicContact CD2-CB 4.32Å; F424-L462 HydrophobicContact CE2-CD1 4.46Å; L458-L462 PolarHBondContact O-N 2.93Å; L459-L462 PolarHBondContact O-N 3.15Å; L462-I465 PolarHBondContact O-N 3.41Å; L462-Y466 PolarHBondContact O-N 3.05Å; L462-Y466 VanDerWaalsContact O-N 3.17Å
463	F	96.5	Very high	94.2	Very high	48 Å²	48	28.8 Å²	28.8	21%	0.211	14%	0.14	C	C	.	.	H	α-helix	trans	-71.4	-30.8	177.4	-74.5	-62.7	0	0	0	112.5	I404 P407 A411 L459 Y466 T467	I404-F463 HydrophobicContact CG2-CZ 4.31Å; P407-F463 HydrophobicContact CB-CD2 3.42Å; P407-F463 VanDerWaalsContact CB-CD2 3.42Å; P407-F463 HydrophobicContact CB-CE2 3.87Å; P407-F463 HydrophobicContact CB-CG 4.48Å; A411-F463 HydrophobicContact CB-CB 3.61Å; A411-F463 VanDerWaalsContact CB-O 3.28Å; A411-F463 WeakPolarHBondContact CB-O 3.38Å; L459-F463 HydrophobicContact CB-CD2 4.44Å; L459-F463 HydrophobicContact CB-CE2 4.49Å; L459-F463 HydrophobicContact CD2-CE2 4.34Å; L459-F463 WeakPolarHBondContact O-CD2 3.06Å; L459-F463 PolarHBondContact O-N 3.18Å; F463-Y466 WeakPolarHBondContact O-CB 3.42Å; F463-Y466 PolarHBondContact O-N 3.33Å; F463-T467 WeakPolarHBondContact O-CB 3.45Å; F463-T467 PolarHBondContact O-N 3.37Å; F463-T467 PolarHBondContact O-OG1 2.72Å
464	S	96	Very high	94.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.6	-40.5	173.2	173.4	0	0	0	0	111.1	F414 D416 G420 M460 G461 Y466 T467 G468	F414-S464 PolarHBondContact O-OG 2.86Å; D416-S464 PolarHBondContact O-OG 3.47Å; G420-S464 WeakPolarHBondContact CA-OG 3.49Å; M460-S464 WeakPolarHBondContact O-CB 3.46Å; M460-S464 PolarHBondContact O-N 3.48Å; G461-S464 PolarHBondContact O-N 3.3Å; S464-Y466 PolarHBondContact O-N 2.86Å; S464-T467 PolarHBondContact O-N 2.53Å; S464-G468 PolarHBondContact O-N 3.08Å
465	I	95.8	Very high	94.1	Very high	37 Å²	37	32.6 Å²	32.6	19%	0.19	16%	0.156	C	C	.	.	H	α-helix	trans	-58.3	-50.5	170.6	-65.1	161.1	0	0	0	110.4	L421 F424 G461 L462 T467 G468 L469	L421-I465 HydrophobicContact CB-CD1 4.46Å; L421-I465 HydrophobicContact CB-CG1 4.43Å; L421-I465 HydrophobicContact CD1-CD1 4.28Å; F424-I465 HydrophobicContact CB-CD1 3.98Å; F424-I465 HydrophobicContact CG-CD1 4.23Å; G461-I465 VanDerWaalsContact O-CG1 3.29Å; G461-I465 WeakPolarHBondContact O-CG1 3.47Å; G461-I465 PolarHBondContact O-N 3.27Å; L462-I465 PolarHBondContact O-N 3.41Å; I465-T467 VanDerWaalsContact C-N 3.35Å; I465-T467 PolarHBondContact O-N 2.85Å; I465-G468 PolarHBondContact O-N 3.15Å; I465-L469 HydrophobicContact CG2-CD1 4.07Å; I465-L469 HydrophobicContact CG2-CG 4.47Å; I465-L469 WeakPolarHBondContact O-CB 3.23Å; I465-L469 VanDerWaalsContact O-CG 3.25Å; I465-L469 WeakPolarHBondContact O-CG 3.36Å; I465-L469 PolarHBondContact O-N 3.42Å
466	Y	95.4	Very high	93.8	Very high	116 Å²	116	31.9 Å²	31.9	46%	0.455	15%	0.154	S	C	.	.	H	α-helix	trans	-57.7	-46.2	178.6	169.9	-105.3	0	0	0	112.5	L462 F463 S464 L469 I470	L462-Y466 PolarHBondContact O-N 3.05Å; L462-Y466 VanDerWaalsContact O-N 3.17Å; F463-Y466 WeakPolarHBondContact O-CB 3.42Å; F463-Y466 PolarHBondContact O-N 3.33Å; S464-Y466 PolarHBondContact O-N 2.86Å; Y466-L469 PolarHBondContact O-N 3.24Å; Y466-I470 HydrophobicContact CD1-CD1 3.96Å; Y466-I470 HydrophobicContact CD2-CD1 4.39Å; Y466-I470 HydrophobicContact CE1-CD1 3.37Å; Y466-I470 HydrophobicContact CE2-CD1 3.85Å; Y466-I470 HydrophobicContact CE2-CG1 4.5Å; Y466-I470 HydrophobicContact CG-CD1 4.44Å; Y466-I470 WeakPolarHBondContact O-CG1 3.31Å; Y466-I470 PolarHBondContact O-N 3.08Å; Y466-I470 VanDerWaalsContact O-N 3.09Å
467	T	94.5	Very high	93.5	Very high	6 Å²	6	35.4 Å²	35.4	4%	0.037	17%	0.172	C	C	.	.	H	α-helix	trans	-72.8	-36.8	-177.9	-52.1	0	0	0	0	111.9	A411 F463 S464 I465 L469 I470 Y471	A411-T467 WeakPolarHBondContact CB-OG1 3.31Å; A411-T467 WeakPolarHBondContact O-CB 3.49Å; A411-T467 WeakPolarHBondContact O-CG2 3.41Å; F463-T467 WeakPolarHBondContact O-CB 3.45Å; F463-T467 PolarHBondContact O-N 3.37Å; F463-T467 PolarHBondContact O-OG1 2.72Å; S464-T467 PolarHBondContact O-N 2.53Å; I465-T467 VanDerWaalsContact C-N 3.35Å; I465-T467 PolarHBondContact O-N 2.85Å; T467-L469 VanDerWaalsContact C-N 3.31Å; T467-L469 PolarHBondContact O-N 3.21Å; T467-I470 WeakPolarHBondContact O-CB 3.4Å; T467-I470 PolarHBondContact O-N 3.4Å; T467-I470 VanDerWaalsContact O-N 3.16Å; T467-Y471 HydrophobicContact CG2-CD2 4.22Å; T467-Y471 HydrophobicContact CG2-CE1 4.36Å; T467-Y471 HydrophobicContact CG2-CE2 3.85Å; T467-Y471 PolarHBondContact O-N 3.09Å
468	G	93.8	Very high	93.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.1	-37.1	173	0	0	0	0	0	112.4	S464 I465 Y471 N472 D473	S464-G468 PolarHBondContact O-N 3.08Å; I465-G468 PolarHBondContact O-N 3.15Å; G468-Y471 CarbonylContact O-C 3.56Å; G468-Y471 PolarHBondContact O-N 3.25Å; G468-N472 WeakPolarHBondContact O-CA 3.34Å; G468-N472 PolarHBondContact O-N 3.49Å; G468-D473 PolarHBondContact O-N 3.42Å
469	L	92.8	Very high	92.9	Very high	64 Å²	64	35.9 Å²	35.9	34%	0.335	18%	0.183	S	C	.	.	H	α-helix	trans	-67.4	-35.5	172.2	-70.9	175.3	0	0	0	112.3	A417 I465 Y466 T467 N472 F523	A417-L469 HydrophobicContact CB-CD2 4.3Å; A417-L469 HydrophobicContact CB-CG 4.23Å; I465-L469 HydrophobicContact CG2-CD1 4.07Å; I465-L469 HydrophobicContact CG2-CG 4.47Å; I465-L469 WeakPolarHBondContact O-CB 3.23Å; I465-L469 VanDerWaalsContact O-CG 3.25Å; I465-L469 WeakPolarHBondContact O-CG 3.36Å; I465-L469 PolarHBondContact O-N 3.42Å; Y466-L469 PolarHBondContact O-N 3.24Å; T467-L469 VanDerWaalsContact C-N 3.31Å; T467-L469 PolarHBondContact O-N 3.21Å; L469-N472 PolarHBondContact O-N 3.18Å; L469-F523 HydrophobicContact CB-CE1 3.91Å; L469-F523 HydrophobicContact CB-CZ 4.25Å
470	I	93.3	Very high	92.5	Very high	41 Å²	41	39.8 Å²	39.8	21%	0.21	20%	0.203	C	C	.	.	H	α-helix	trans	-67.6	-42.1	172.2	-70.4	168	0	0	0	111.4	Y466 T467 N472 F523 G524 L525	Y466-I470 HydrophobicContact CD1-CD1 3.96Å; Y466-I470 HydrophobicContact CD2-CD1 4.39Å; Y466-I470 HydrophobicContact CE1-CD1 3.37Å; Y466-I470 HydrophobicContact CE2-CD1 3.85Å; Y466-I470 HydrophobicContact CE2-CG1 4.5Å; Y466-I470 HydrophobicContact CG-CD1 4.44Å; Y466-I470 WeakPolarHBondContact O-CG1 3.31Å; Y466-I470 PolarHBondContact O-N 3.08Å; Y466-I470 VanDerWaalsContact O-N 3.09Å; T467-I470 WeakPolarHBondContact O-CB 3.4Å; T467-I470 PolarHBondContact O-N 3.4Å; T467-I470 VanDerWaalsContact O-N 3.16Å; I470-N472 PolarHBondContact O-N 3Å; I470-F523 HydrophobicContact CG1-CE2 4.3Å; I470-F523 HydrophobicContact CG1-CZ 4.05Å; I470-G524 CarbonylContact O-C 3.39Å; I470-G524 WeakPolarHBondContact O-CA 3.39Å; I470-L525 PolarHBondContact O-N 2.85Å
471	Y	93	Very high	92	Very high	21 Å²	21	44.4 Å²	44.4	8%	0.082	23%	0.227	C	C	.	.	H	α-helix	trans	-70.9	-13.2	174.5	-68.8	-12.8	0	0	0	112.8	T467 G468 D473 L525 M546	T467-Y471 HydrophobicContact CG2-CD2 4.22Å; T467-Y471 HydrophobicContact CG2-CE1 4.36Å; T467-Y471 HydrophobicContact CG2-CE2 3.85Å; T467-Y471 PolarHBondContact O-N 3.09Å; G468-Y471 CarbonylContact O-C 3.56Å; G468-Y471 PolarHBondContact O-N 3.25Å; Y471-D473 VanDerWaalsContact C-N 3.31Å; Y471-L525 HydrophobicContact CD1-CD1 4.37Å; Y471-M546 HydrophobicContact CE1-CE 4.21Å; Y471-M546 HydrophobicContact CE1-SD 4.13Å
472	N	92.6	Very high	91.6	Very high	15 Å²	15	50 Å²	50	8%	0.08	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	49.4	-174.5	-164.6	6.5	0	0	0	111.4	G468 L469 I470 S478 A479 L525 P527	G468-N472 WeakPolarHBondContact O-CA 3.34Å; G468-N472 PolarHBondContact O-N 3.49Å; L469-N472 PolarHBondContact O-N 3.18Å; I470-N472 PolarHBondContact O-N 3Å; N472-S478 WeakPolarHBondContact O-CA 3.41Å; N472-A479 PolarHBondContact ND2-O 2.91Å; N472-A479 PolarHBondContact OD1-N 3.47Å; N472-A479 PolarHBondContact OD1-O 2.79Å; N472-L525 HydrophobicContact CB-CB 4.49Å; N472-L525 WeakPolarHBondContact CB-O 3.26Å; N472-L525 PolarHBondContact ND2-O 3.4Å; N472-P527 WeakPolarHBondContact ND2-CG 3.32Å
473	D	91.1	Very high	91	Very high	20 Å²	20	47.7 Å²	47.7	11%	0.107	25%	0.247	C	C	.	.			trans	-128.6	118.2	-179.2	-161	-8.1	0	0	0	110.7	A417 G468 Y471 S476 L477	A417-D473 PolarHBondContact N-O 3.06Å; G468-D473 PolarHBondContact O-N 3.42Å; Y471-D473 VanDerWaalsContact C-N 3.31Å; D473-S476 WeakPolarHBondContact OD1-CA 3.45Å; D473-S476 PolarHBondContact OD1-N 3.1Å; D473-L477 PolarHBondContact OD1-N 3.3Å
474	I	92.5	Very high	90.5	Very high	62 Å²	62	46.4 Å²	46.4	32%	0.318	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-127.3	103.1	176.8	-48.5	-175	0	0	0	107.4	A417 S476 L477 A479	A417-I474 HydrophobicContact CB-CG1 4.2Å; I474-S476 PolarHBondContact O-N 3.08Å; I474-L477 PolarHBondContact N-O 3.25Å; I474-L477 WeakPolarHBondContact O-CB 3.14Å; I474-L477 PolarHBondContact O-N 2.92Å; I474-A479 HydrophobicContact CD1-CB 4.03Å
475	F	89.1	Confident	90.1	Very high	54 Å²	54	46.5 Å²	46.5	24%	0.237	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	41.9	-177.2	-59.5	-64.4	0	0	0	113.3	D416 G418 H419 L422 W814	D416-F475 PolarHBondContact OD1-N 3.37Å; D416-F475 VanDerWaalsContact OD1-N 3.11Å; D416-F475 PolarHBondContact OD2-N 2.99Å; G418-F475 VanDerWaalsContact C-CZ 3.5Å; G418-F475 VanDerWaalsContact CA-CZ 3.48Å; H419-F475 AromaticContact CD2-CD1 3.79Å; H419-F475 AromaticContact CD2-CE1 3.69Å; H419-F475 AromaticContact NE2-CD1 3.73Å; L422-F475 HydrophobicContact CD1-CE1 4.06Å; L422-F475 HydrophobicContact CD1-CZ 4.09Å; L422-F475 HydrophobicContact CG-CZ 4.42Å; F475-W814 HydrophobicContact CB-CH2 4.42Å; F475-W814 HydrophobicContact CB-CZ2 4.31Å; F475-W814 AromaticContact CD1-CH2 3.89Å; F475-W814 HydrophobicContact CD1-CH2 3.89Å; F475-W814 HydrophobicContact CD1-CZ2 4.18Å; F475-W814 HydrophobicContact CE1-CH2 4.26Å; F475-W814 HydrophobicContact CG-CH2 4.1Å; F475-W814 HydrophobicContact CG-CZ2 4.4Å
476	S	87.1	Confident	89.6	Confident	4 Å²	4	46.5 Å²	46.5	3%	0.028	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	12.2	-174.5	80.2	0	0	0	0	116.6	D473 I474 Q530 W788	D473-S476 WeakPolarHBondContact OD1-CA 3.45Å; D473-S476 PolarHBondContact OD1-N 3.1Å; I474-S476 PolarHBondContact O-N 3.08Å; S476-Q530 PolarHBondContact O-NE2 3.36Å; S476-W788 WeakPolarHBondContact OG-CB 3.49Å
477	L	87.9	Confident	89	Confident	79 Å²	79	46 Å²	46	41%	0.414	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	-116.7	143.2	176	-62.1	175.6	0	0	0	111.3	D473 I474 W788	D473-L477 PolarHBondContact OD1-N 3.3Å; I474-L477 PolarHBondContact N-O 3.25Å; I474-L477 WeakPolarHBondContact O-CB 3.14Å; I474-L477 PolarHBondContact O-N 2.92Å; L477-W788 HydrophobicContact CD1-CH2 3.88Å; L477-W788 HydrophobicContact CD1-CZ2 3.65Å; L477-W788 HydrophobicContact CD2-CZ2 4.38Å; L477-W788 HydrophobicContact CG-CZ2 4.27Å
478	S	89.3	Confident	88.2	Confident	41 Å²	41	50.7 Å²	50.7	29%	0.287	27%	0.271	S	S	.	.			trans	-90.3	140.3	174.5	58.3	0	0	0	0	111.8	N472 P527 Q530	N472-S478 WeakPolarHBondContact O-CA 3.41Å; S478-P527 PolarHBondContact OG-O 3.48Å; S478-Q530 WeakPolarHBondContact OG-CB 3.4Å
479	A	86.6	Confident	87.5	Confident	27 Å²	27	53.3 Å²	53.3	22%	0.223	29%	0.287	C	S	.	.			trans	-96.2	125.4	174.8	0	0	0	0	0	110.9	N472 I474 I481 P527	N472-A479 PolarHBondContact ND2-O 2.91Å; N472-A479 PolarHBondContact OD1-N 3.47Å; N472-A479 PolarHBondContact OD1-O 2.79Å; I474-A479 HydrophobicContact CD1-CB 4.03Å; A479-I481 HydrophobicContact CB-CD1 4.34Å; A479-I481 HydrophobicContact CB-CG1 4.12Å; A479-I481 PolarHBondContact O-N 2.97Å; A479-P527 WeakPolarHBondContact O-CG 3.47Å
480	N	87.7	Confident	86.7	Confident	108 Å²	108	53.4 Å²	53.4	58%	0.578	28%	0.283	S	S	*	.			trans	-90.3	83.1	175.2	-173.9	14.5	0	0	0	111.2	G483 S484 P527	N480-G483 WeakPolarHBondContact OD1-CA 3.41Å; N480-G483 PolarHBondContact OD1-N 3.47Å; N480-G483 VanDerWaalsContact OD1-N 3.12Å; N480-S484 PolarHBondContact OD1-N 3Å; N480-P527 HydrophobicContact CB-CB 4.34Å; N480-P527 HydrophobicContact CB-CG 4.14Å
481	I	85.4	Confident	85.9	Confident	108 Å²	108	57.2 Å²	57.2	55%	0.554	30%	0.304	S	S	*	.	S	Bend	trans	-85.8	-48.6	-175.4	-57.9	170.3	0	0	0	112	A479 Y521	A479-I481 HydrophobicContact CB-CD1 4.34Å; A479-I481 HydrophobicContact CB-CG1 4.12Å; A479-I481 PolarHBondContact O-N 2.97Å; I481-Y521 PolarHBondContact N-OH 2.94Å
482	F	86.4	Confident	85.2	Confident	119 Å²	119	62.8 Å²	62.8	52%	0.522	34%	0.335	S	S	.	.	S	Bend	trans	-98.2	-2.9	-173.4	-62.7	-76.9	0	0	0	115	Y521 P522 F523	F482-Y521 HydrophobicContact CB-CE2 3.89Å; F482-Y521 HydrophobicContact CD2-CE1 4.02Å; F482-Y521 AromaticContact CD2-CZ 3.84Å; F482-Y521 PolarHBondContact N-OH 3.49Å; F482-Y521 VanDerWaalsContact N-OH 3.17Å; F482-P522 HydrophobicContact CB-CG 4.18Å; F482-P522 HydrophobicContact CG-CB 4.38Å; F482-P522 HydrophobicContact CG-CG 4.25Å; F482-F523 HydrophobicContact CD2-CB 4.38Å; F482-F523 HydrophobicContact CE2-CB 3.74Å; F482-F523 HydrophobicContact CE2-CD1 4.49Å; F482-F523 HydrophobicContact CE2-CG 4.48Å; F482-F523 HydrophobicContact CZ-CB 4.4Å
483	G	84.7	Confident	84.6	Confident	32 Å²	32	65.2 Å²	65.2	33%	0.33	35%	0.354	S	S	.	.			trans	82.3	136.4	-166.1	0	0	0	0	0	112	N480 Y521	N480-G483 WeakPolarHBondContact OD1-CA 3.41Å; N480-G483 PolarHBondContact OD1-N 3.47Å; N480-G483 VanDerWaalsContact OD1-N 3.12Å; G483-Y521 WeakPolarHBondContact O-CE2 3.38Å
484	S	86.4	Confident	84	Confident	21 Å²	21	66.5 Å²	66.5	15%	0.147	36%	0.362	C	S	.	.			trans	-62.1	140.7	176.5	167.9	0	0	0	0	111.2	N480 W486 Y487 D526	N480-S484 PolarHBondContact OD1-N 3Å; S484-W486 PolarHBondContact OG-N 3.44Å; S484-W486 PolarHBondContact OG-O 3.49Å; S484-Y487 PolarHBondContact O-OH 3.25Å; S484-D526 PolarHBondContact OG-OD1 3.31Å
485	S	85.7	Confident	83.3	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.007	37%	0.374	C	S	.	.	S	Bend	trans	-83.6	-2.5	172	-56.9	0	0	0	0	112.5	Y516 A517 Y519 D526	S485-Y516 WeakPolarHBondContact O-CD2 3.28Å; S485-A517 VanDerWaalsContact O-CB 3.31Å; S485-A517 WeakPolarHBondContact O-CB 3.44Å; S485-A517 PolarHBondContact O-N 3.46Å; S485-Y519 WeakPolarHBondContact CB-O 3.45Å; S485-Y519 PolarHBondContact OG-O 3.45Å; S485-D526 PolarHBondContact N-OD2 3.06Å
486	W	85.8	Confident	82.7	Confident	38 Å²	38	70.8 Å²	70.8	14%	0.144	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-108.9	133.8	175.9	-66.9	85.3	0	0	0	111.5	S484 L503 P505 M515 Y516 V528 W529	S484-W486 PolarHBondContact OG-N 3.44Å; S484-W486 PolarHBondContact OG-O 3.49Å; W486-L503 HydrophobicContact CE3-CB 4.05Å; W486-L503 HydrophobicContact CE3-CD1 4.44Å; W486-L503 HydrophobicContact CZ3-CB 4.03Å; W486-P505 HydrophobicContact CH2-CB 3.89Å; W486-P505 HydrophobicContact CZ3-CB 4.47Å; W486-M515 WeakPolarHBondContact CA-O 3.41Å; W486-Y516 AromaticContact CD2-CD2 3.87Å; W486-Y516 HydrophobicContact CD2-CD2 3.87Å; W486-Y516 AromaticContact CE2-CD2 3.56Å; W486-Y516 HydrophobicContact CE3-CD2 4.31Å; W486-Y516 HydrophobicContact CG-CD2 4.32Å; W486-Y516 HydrophobicContact CH2-CD2 4.22Å; W486-Y516 HydrophobicContact CH2-CG 4.23Å; W486-Y516 AromaticContact CZ2-CD2 3.77Å; W486-Y516 HydrophobicContact CZ2-CD2 3.77Å; W486-Y516 HydrophobicContact CZ2-CE2 4.25Å; W486-Y516 HydrophobicContact CZ2-CG 4.19Å; W486-Y516 HydrophobicContact CZ3-CD2 4.48Å; W486-Y516 HydrophobicContact CZ3-CG 4.42Å; W486-Y516 AromaticContact NE1-CD2 3.83Å; W486-Y516 AromaticContact NE1-CE2 3.95Å; W486-V528 HydrophobicContact CB-CB 4.35Å; W486-V528 HydrophobicContact CB-CG1 3.95Å; W486-V528 HydrophobicContact CB-CG2 4.2Å; W486-V528 HydrophobicContact CG-CG1 3.87Å; W486-W529 HydrophobicContact CZ2-CZ2 4.28Å
487	Y	83.2	Confident	82.4	Confident	106 Å²	106	78.8 Å²	78.8	42%	0.416	43%	0.429	S	S	.	.			trans	-126.6	120.3	-179.8	-55.9	-68.9	0	0	0	110.3	S484 T489 M515 A517	S484-Y487 PolarHBondContact O-OH 3.25Å; Y487-T489 PolarHBondContact O-N 2.9Å; Y487-T489 VanDerWaalsContact O-N 3.1Å; Y487-M515 PolarHBondContact N-O 2.96Å; Y487-M515 WeakPolarHBondContact O-CA 3.49Å; Y487-A517 HydrophobicContact CE2-CB 3.93Å
488	P	78.8	Confident	81.9	Confident	103 Å²	103	80.5 Å²	80.5	67%	0.669	44%	0.435	S	S	*	.			trans	-80.6	88.5	175.6	32	-32.7	0	0	0	110.4	Y490 L503	P488-Y490 VanDerWaalsContact C-N 3.29Å; P488-Y490 PolarHBondContact O-N 3.47Å; P488-L503 HydrophobicContact CB-CD2 4.21Å
489	T	77.7	Confident	81.3	Confident	55 Å²	55	85.6 Å²	85.6	34%	0.337	46%	0.464	S	S	.	.			trans	-90.1	47.5	-179.2	53.7	0	0	0	0	112.4	Y487 D513 M515	Y487-T489 PolarHBondContact O-N 2.9Å; Y487-T489 VanDerWaalsContact O-N 3.1Å; T489-D513 WeakPolarHBondContact OG1-CB 3.21Å; T489-M515 WeakPolarHBondContact OG1-CG 3.48Å
490	Y	76.2	Confident	81	Confident	67 Å²	67	95.2 Å²	95.2	26%	0.263	50%	0.495	S	S	.	.			trans	-91	143	177.1	-72	-75.2	0	0	0	112.1	P488 V494 L501 Q502 M515	P488-Y490 VanDerWaalsContact C-N 3.29Å; P488-Y490 PolarHBondContact O-N 3.47Å; Y490-V494 HydrophobicContact CD1-CG1 4.03Å; Y490-L501 HydrophobicContact CD2-CB 4.49Å; Y490-L501 HydrophobicContact CD2-CD1 4.01Å; Y490-L501 HydrophobicContact CE1-CD2 4.43Å; Y490-L501 HydrophobicContact CE2-CB 4.03Å; Y490-L501 HydrophobicContact CE2-CD1 4.38Å; Y490-L501 HydrophobicContact CG-CD1 4.32Å; Y490-Q502 VanDerWaalsContact OH-C 3.28Å; Y490-Q502 PolarHBondContact OH-O 3.46Å; Y490-M515 HydrophobicContact CD1-CE 4.04Å; Y490-M515 HydrophobicContact CD2-CE 4.39Å; Y490-M515 HydrophobicContact CE1-CE 3.57Å; Y490-M515 HydrophobicContact CE2-CE 3.95Å; Y490-M515 HydrophobicContact CE2-SD 4.19Å; Y490-M515 HydrophobicContact CG-CE 4.43Å
491	D	77.3	Confident	80.8	Confident	120 Å²	120	92.9 Å²	92.9	64%	0.642	48%	0.482	S	S	*	.			trans	-61.8	145.7	170.4	-83.7	-21.8	0	0	0	111.9	S493 V494 L495	D491-S493 PolarHBondContact O-N 2.7Å; D491-V494 HydrophobicContact CB-CG2 4.4Å; D491-V494 WeakPolarHBondContact O-CB 3.17Å; D491-V494 PolarHBondContact O-N 3.44Å; D491-L495 PolarHBondContact O-N 3.28Å; D491-L495 VanDerWaalsContact O-N 3.14Å
492	N	78.4	Confident	80.7	Confident	139 Å²	139	95.7 Å²	95.7	74%	0.743	49%	0.493	S	S	*	.	H	α-helix	trans	-55.5	-27.6	177.4	-71	-38.2	0	0	0	113.2	S496	N492-S496 PolarHBondContact O-N 3.38Å; N492-S496 PolarHBondContact O-OG 2.95Å
493	S	78.9	Confident	80.5	Confident	66 Å²	66	92.6 Å²	92.6	46%	0.462	48%	0.481	S	S	.	.	H	α-helix	trans	-69.2	-31.5	176.6	65.8	0	0	0	0	113.1	D491 S496 K497	D491-S493 PolarHBondContact O-N 2.7Å; S493-S496 PolarHBondContact O-OG 3.18Å; S493-S496 VanDerWaalsContact O-OG 3.09Å; S493-K497 WeakPolarHBondContact O-CG 3.39Å
494	V	78	Confident	80.2	Confident	47 Å²	47	94.7 Å²	94.7	29%	0.285	48%	0.482	S	S	.	.	H	α-helix	trans	-80.2	-42	177.2	179.7	0	0	0	0	109.7	Y490 D491 S496 K497 E498 L501	Y490-V494 HydrophobicContact CD1-CG1 4.03Å; D491-V494 HydrophobicContact CB-CG2 4.4Å; D491-V494 WeakPolarHBondContact O-CB 3.17Å; D491-V494 PolarHBondContact O-N 3.44Å; V494-S496 PolarHBondContact O-N 3.49Å; V494-K497 PolarHBondContact O-N 3.24Å; V494-E498 PolarHBondContact O-N 2.89Å; V494-L501 HydrophobicContact CG1-CD2 3.74Å
495	L	78.4	Confident	79.8	Confident	107 Å²	107	96.2 Å²	96.2	56%	0.56	49%	0.492	S	S	*	.	H	α-helix	trans	-60.7	-28.4	179	-168.5	64.6	0	0	0	113.2	D491 L501	D491-L495 PolarHBondContact O-N 3.28Å; D491-L495 VanDerWaalsContact O-N 3.14Å; L495-L501 HydrophobicContact CD1-CD1 3.82Å
496	S	77.6	Confident	79.4	Confident	98 Å²	98	102.1 Å²	102.1	69%	0.685	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-17.2	177.1	54.9	0	0	0	0	114.5	N492 S493 V494	N492-S496 PolarHBondContact O-N 3.38Å; N492-S496 PolarHBondContact O-OG 2.95Å; S493-S496 PolarHBondContact O-OG 3.18Å; S493-S496 VanDerWaalsContact O-OG 3.09Å; V494-S496 PolarHBondContact O-N 3.49Å
497	K	80.9	Confident	78.5	Confident	173 Å²	173	103.7 Å²	103.7	75%	0.752	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-37.5	-176.2	-75.7	179.5	-178.7	178.3	0	113.5	S493 V494	S493-K497 WeakPolarHBondContact O-CG 3.39Å; V494-K497 PolarHBondContact O-N 3.24Å
498	E	77.3	Confident	77.5	Confident	114 Å²	114	100.3 Å²	100.3	53%	0.533	52%	0.52	S	S	.	.			trans	-110.1	131.4	-171.1	-68	-170.9	177.8	0	0	112.8	V494 L501	V494-E498 PolarHBondContact O-N 2.89Å; E498-L501 HydrophobicContact CB-CD2 3.9Å; E498-L501 HydrophobicContact CB-CG 4.42Å; E498-L501 WeakPolarHBondContact OE2-CD2 3.25Å
499	V	76.8	Confident	76.6	Confident	148 Å²	148	101.5 Å²	101.5	90%	0.897	53%	0.525	S	S	*	.	S	Bend	trans	-77	-25.8	179.4	-178.5	0	0	0	0	112
500	R	79.3	Confident	75.7	Confident	230 Å²	230	106.3 Å²	106.3	87%	0.868	55%	0.549	S	S	*	.	S	Bend	trans	-137.6	118.3	-179.6	-67.9	-176.7	178.9	162.3	0.2	109.5
501	L	82.9	Confident	74.9	Confident	58 Å²	58	105.1 Å²	105.1	30%	0.304	55%	0.548	S	S	.	.			trans	-105.8	145.1	177.9	-66	164.2	0	0	0	109.8	Y490 V494 L495 E498	Y490-L501 HydrophobicContact CD2-CB 4.49Å; Y490-L501 HydrophobicContact CD2-CD1 4.01Å; Y490-L501 HydrophobicContact CE1-CD2 4.43Å; Y490-L501 HydrophobicContact CE2-CB 4.03Å; Y490-L501 HydrophobicContact CE2-CD1 4.38Å; Y490-L501 HydrophobicContact CG-CD1 4.32Å; V494-L501 HydrophobicContact CG1-CD2 3.74Å; L495-L501 HydrophobicContact CD1-CD1 3.82Å; E498-L501 HydrophobicContact CB-CD2 3.9Å; E498-L501 HydrophobicContact CB-CG 4.42Å; E498-L501 WeakPolarHBondContact OE2-CD2 3.25Å
502	Q	83.8	Confident	73.9	Confident	167 Å²	167	104.5 Å²	104.5	78%	0.78	55%	0.554	S	S	*	*			trans	-116.6	112.6	175.8	178.8	174.9	-14.7	0	0	110.3	Y490	Y490-Q502 VanDerWaalsContact OH-C 3.28Å; Y490-Q502 PolarHBondContact OH-O 3.46Å
503	L	82.7	Confident	73.1	Confident	54 Å²	54	101.8 Å²	101.8	28%	0.283	54%	0.539	S	S	.	.			trans	-62.3	135.4	177.3	-66.5	138.7	0	0	0	111.2	W486 P488 P505 M515	W486-L503 HydrophobicContact CE3-CB 4.05Å; W486-L503 HydrophobicContact CE3-CD1 4.44Å; W486-L503 HydrophobicContact CZ3-CB 4.03Å; P488-L503 HydrophobicContact CB-CD2 4.21Å; L503-P505 WeakPolarHBondContact O-CD 3.41Å; L503-M515 HydrophobicContact CB-SD 4.48Å; L503-M515 HydrophobicContact CD2-CB 4.1Å; L503-M515 HydrophobicContact CD2-CG 4.39Å; L503-M515 HydrophobicContact CD2-SD 4.25Å
504	E	78.3	Confident	72.5	Confident	76 Å²	76	106.4 Å²	106.4	36%	0.355	55%	0.546	S	S	.	.			trans	-82.9	121.3	177.6	-168.8	163.5	-167	0	0	110.6	R506 M515	E504-R506 VanDerWaalsContact C-N 3.29Å; E504-R506 HydrophobicContact CG-CB 4.17Å; E504-R506 HydrophobicContact CG-CG 4.16Å; E504-R506 PolarHBondContact O-N 3.01Å; E504-R506 WeakPolarHBondContact OE1-CD 3.41Å; E504-R506 IonicContact OE1-CZ 3.41Å; E504-R506 IonicContact OE1-NE 2.76Å; E504-R506 IonicContact OE1-NH1 3.49Å; E504-R506 PolarHBondContact OE1-NH1 3.07Å; E504-M515 HydrophobicContact CB-SD 4.23Å; E504-M515 PolarHBondContact N-SD 3.27Å; E504-M515 VanDerWaalsContact N-SD 3.39Å
505	P	78.9	Confident	72.5	Confident	54 Å²	54	105.3 Å²	105.3	35%	0.351	54%	0.538	S	S	.	.			trans	-80.6	-4.3	-176.3	32	-37.2	0	0	0	114.1	W486 L503 A606	W486-P505 HydrophobicContact CH2-CB 3.89Å; W486-P505 HydrophobicContact CZ3-CB 4.47Å; L503-P505 WeakPolarHBondContact O-CD 3.41Å; P505-A606 HydrophobicContact CB-CB 3.8Å; P505-A606 HydrophobicContact CG-CB 3.84Å; P505-A606 WeakPolarHBondContact O-CB 3.37Å
506	R	75.2	Confident	72.7	Confident	124 Å²	124	102.5 Å²	102.5	47%	0.468	52%	0.521	S	S	.	.			trans	-75.1	133.2	-171.7	-64.7	-174.6	178.3	158.4	-10.8	110.9	E504 A606	E504-R506 VanDerWaalsContact C-N 3.29Å; E504-R506 HydrophobicContact CG-CB 4.17Å; E504-R506 HydrophobicContact CG-CG 4.16Å; E504-R506 PolarHBondContact O-N 3.01Å; E504-R506 WeakPolarHBondContact OE1-CD 3.41Å; E504-R506 IonicContact OE1-CZ 3.41Å; E504-R506 IonicContact OE1-NE 2.76Å; E504-R506 IonicContact OE1-NH1 3.49Å; E504-R506 PolarHBondContact OE1-NH1 3.07Å; R506-A606 HydrophobicContact CG-CB 4.47Å
507	T	67.7	Low	72.7	Confident	71 Å²	71	99.3 Å²	99.3	44%	0.436	50%	0.5	S	S	.	.			trans	-103.9	9.2	-179.1	51.5	0	0	0	0	113.4	Y516	T507-Y516 HydrophobicContact CG2-CD1 3.77Å; T507-Y516 HydrophobicContact CG2-CE1 4.47Å
508	S	62.5	Low	72.5	Confident	35 Å²	35	93.4 Å²	93.4	25%	0.245	49%	0.489	C	S	.	.			trans	-62.2	148.9	-176.2	65.7	0	0	0	0	112.2	N510 V511	S508-N510 PolarHBondContact O-N 3.02Å; S508-V511 PolarHBondContact O-N 3.32Å
509	V	59.9	Low	72.8	Confident	129 Å²	129	93.9 Å²	93.9	78%	0.782	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-19.1	-178.1	-176.7	0	0	0	0	113.4	V511	V509-V511 PolarHBondContact O-N 3.5Å
510	N	58.3	Low	73.3	Confident	155 Å²	155	91.5 Å²	91.5	83%	0.829	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	3.6	-173.3	-64	-10.6	0	0	0	114.9	S508	S508-N510 PolarHBondContact O-N 3.02Å
511	V	59.9	Low	73.8	Confident	42 Å²	42	81.8 Å²	81.8	26%	0.255	44%	0.437	S	S	.	.			trans	-103.3	118.6	178.2	-175.4	0	0	0	0	108.7	S508 V509 D513	S508-V511 PolarHBondContact O-N 3.32Å; V509-V511 PolarHBondContact O-N 3.5Å; V511-D513 WeakPolarHBondContact CG1-O 3.42Å; V511-D513 PolarHBondContact O-N 3.01Å
512	S	55.9	Low	74.1	Confident	108 Å²	108	83.2 Å²	83.2	76%	0.755	45%	0.45	S	S	*	.	S	Bend	trans	-59.5	-34.6	-178.8	49.9	0	0	0	0	112.4
513	D	63	Low	74.4	Confident	82 Å²	82	79.1 Å²	79.1	44%	0.439	43%	0.43	S	S	.	.	S	Bend	trans	-121.5	98.4	-172.5	-59	-61.3	0	0	0	110.6	T489 V511 M515	T489-D513 WeakPolarHBondContact OG1-CB 3.21Å; V511-D513 WeakPolarHBondContact CG1-O 3.42Å; V511-D513 PolarHBondContact O-N 3.01Å; D513-M515 PolarHBondContact O-N 3.48Å
514	R	66.1	Low	74.7	Confident	163 Å²	163	78.1 Å²	78.1	62%	0.615	43%	0.433	S	S	*	.			trans	-69.5	96.9	177.5	-66.3	-176.6	-176.8	179.7	1.7	110.1	Y516	R514-Y516 VanDerWaalsContact C-N 3.32Å
515	M	77.8	Confident	75.3	Confident	24 Å²	24	76 Å²	76	12%	0.118	42%	0.424	C	S	.	.	S	Bend	trans	-74	-22.6	177.4	-66.5	179.8	-177.7	0	0	113.5	W486 Y487 T489 Y490 L503 E504 D513	W486-M515 WeakPolarHBondContact CA-O 3.41Å; Y487-M515 PolarHBondContact N-O 2.96Å; Y487-M515 WeakPolarHBondContact O-CA 3.49Å; T489-M515 WeakPolarHBondContact OG1-CG 3.48Å; Y490-M515 HydrophobicContact CD1-CE 4.04Å; Y490-M515 HydrophobicContact CD2-CE 4.39Å; Y490-M515 HydrophobicContact CE1-CE 3.57Å; Y490-M515 HydrophobicContact CE2-CE 3.95Å; Y490-M515 HydrophobicContact CE2-SD 4.19Å; Y490-M515 HydrophobicContact CG-CE 4.43Å; L503-M515 HydrophobicContact CB-SD 4.48Å; L503-M515 HydrophobicContact CD2-CB 4.1Å; L503-M515 HydrophobicContact CD2-CG 4.39Å; L503-M515 HydrophobicContact CD2-SD 4.25Å; E504-M515 HydrophobicContact CB-SD 4.23Å; E504-M515 PolarHBondContact N-SD 3.27Å; E504-M515 VanDerWaalsContact N-SD 3.39Å; D513-M515 PolarHBondContact O-N 3.48Å
516	Y	81.6	Confident	75.9	Confident	48 Å²	48	74 Å²	74	19%	0.188	41%	0.41	C	S	.	.	B	Isolated β-bridge	trans	-115.4	132.9	173.1	178.4	-122.7	0	0	0	110.1	S485 W486 T507 R514 G518 Y519 P520	S485-Y516 WeakPolarHBondContact O-CD2 3.28Å; W486-Y516 AromaticContact CD2-CD2 3.87Å; W486-Y516 HydrophobicContact CD2-CD2 3.87Å; W486-Y516 AromaticContact CE2-CD2 3.56Å; W486-Y516 HydrophobicContact CE3-CD2 4.31Å; W486-Y516 HydrophobicContact CG-CD2 4.32Å; W486-Y516 HydrophobicContact CH2-CD2 4.22Å; W486-Y516 HydrophobicContact CH2-CG 4.23Å; W486-Y516 AromaticContact CZ2-CD2 3.77Å; W486-Y516 HydrophobicContact CZ2-CD2 3.77Å; W486-Y516 HydrophobicContact CZ2-CE2 4.25Å; W486-Y516 HydrophobicContact CZ2-CG 4.19Å; W486-Y516 HydrophobicContact CZ3-CD2 4.48Å; W486-Y516 HydrophobicContact CZ3-CG 4.42Å; W486-Y516 AromaticContact NE1-CD2 3.83Å; W486-Y516 AromaticContact NE1-CE2 3.95Å; T507-Y516 HydrophobicContact CG2-CD1 3.77Å; T507-Y516 HydrophobicContact CG2-CE1 4.47Å; R514-Y516 VanDerWaalsContact C-N 3.32Å; Y516-G518 PolarHBondContact O-N 2.87Å; Y516-G518 VanDerWaalsContact O-N 3.13Å; Y516-Y519 PolarHBondContact OH-O 3.07Å; Y516-P520 WeakPolarHBondContact OH-CA 3.36Å
517	A	78.3	Confident	76.6	Confident	31 Å²	31	68.5 Å²	68.5	26%	0.256	39%	0.391	S	S	.	.			trans	-65.4	-16.5	-175.8	0	0	0	0	0	113.9	S485 Y487 Y519	S485-A517 VanDerWaalsContact O-CB 3.31Å; S485-A517 WeakPolarHBondContact O-CB 3.44Å; S485-A517 PolarHBondContact O-N 3.46Å; Y487-A517 HydrophobicContact CE2-CB 3.93Å; A517-Y519 HydrophobicContact CB-CD1 3.88Å; A517-Y519 HydrophobicContact CB-CE1 3.43Å; A517-Y519 VanDerWaalsContact CB-CE1 3.43Å; A517-Y519 HydrophobicContact CB-CE2 4.44Å
518	G	77.4	Confident	77.6	Confident	49 Å²	49	66.8 Å²	66.8	51%	0.505	38%	0.38	S	S	.	.	S	Bend	trans	88.1	-0.5	179.8	0	0	0	0	0	114.8	Y516	Y516-G518 PolarHBondContact O-N 2.87Å; Y516-G518 VanDerWaalsContact O-N 3.13Å
519	Y	83.4	Confident	78.9	Confident	124 Å²	124	67.9 Å²	67.9	49%	0.486	38%	0.378	S	S	.	.	S	Bend	trans	-126.9	146.1	172.9	57.1	-92	0	0	0	110.8	S485 Y516 A517	S485-Y519 WeakPolarHBondContact CB-O 3.45Å; S485-Y519 PolarHBondContact OG-O 3.45Å; Y516-Y519 PolarHBondContact OH-O 3.07Å; A517-Y519 HydrophobicContact CB-CD1 3.88Å; A517-Y519 HydrophobicContact CB-CE1 3.43Å; A517-Y519 VanDerWaalsContact CB-CE1 3.43Å; A517-Y519 HydrophobicContact CB-CE2 4.44Å
520	P	86.6	Confident	80.1	Confident	98 Å²	98	64.7 Å²	64.7	64%	0.636	36%	0.355	S	S	*	.			trans	-70.8	157.1	178.4	29.8	-34.8	0	0	0	111.5	Y516	Y516-P520 WeakPolarHBondContact OH-CA 3.36Å
521	Y	89.1	Confident	81.5	Confident	25 Å²	25	64.8 Å²	64.8	10%	0.098	36%	0.355	C	S	.	.			trans	-57.7	131.1	174.7	-167.1	-109.1	0	0	0	110	I481 F482 G483 F523 D526 P527	I481-Y521 PolarHBondContact N-OH 2.94Å; F482-Y521 HydrophobicContact CB-CE2 3.89Å; F482-Y521 HydrophobicContact CD2-CE1 4.02Å; F482-Y521 AromaticContact CD2-CZ 3.84Å; F482-Y521 PolarHBondContact N-OH 3.49Å; F482-Y521 VanDerWaalsContact N-OH 3.17Å; G483-Y521 WeakPolarHBondContact O-CE2 3.38Å; Y521-F523 VanDerWaalsContact C-N 3.26Å; Y521-F523 WeakPolarHBondContact CD1-O 3.23Å; Y521-F523 WeakPolarHBondContact CE1-O 3.29Å; Y521-F523 PolarHBondContact O-N 2.94Å; Y521-F523 VanDerWaalsContact O-N 3.16Å; Y521-D526 HydrophobicContact CD2-CB 4.44Å; Y521-D526 HydrophobicContact CG-CB 4.29Å; Y521-P527 HydrophobicContact CE2-CG 4.2Å
522	P	88.8	Confident	82.8	Confident	88 Å²	88	64.1 Å²	64.1	57%	0.571	35%	0.352	S	S	*	.	S	Bend	trans	-59.7	-31	-170.2	-28.2	35.4	0	0	0	115.1	F482	F482-P522 HydrophobicContact CB-CG 4.18Å; F482-P522 HydrophobicContact CG-CB 4.38Å; F482-P522 HydrophobicContact CG-CG 4.25Å
523	F	90.7	Very high	84.2	Confident	81 Å²	81	63.3 Å²	63.3	36%	0.355	36%	0.36	S	S	.	.	S	Bend	trans	-149.9	112.3	-174	178.6	-97.9	0	0	0	112.2	L469 I470 F482 Y521	L469-F523 HydrophobicContact CB-CE1 3.91Å; L469-F523 HydrophobicContact CB-CZ 4.25Å; I470-F523 HydrophobicContact CG1-CE2 4.3Å; I470-F523 HydrophobicContact CG1-CZ 4.05Å; F482-F523 HydrophobicContact CD2-CB 4.38Å; F482-F523 HydrophobicContact CE2-CB 3.74Å; F482-F523 HydrophobicContact CE2-CD1 4.49Å; F482-F523 HydrophobicContact CE2-CG 4.48Å; F482-F523 HydrophobicContact CZ-CB 4.4Å; Y521-F523 VanDerWaalsContact C-N 3.26Å; Y521-F523 WeakPolarHBondContact CD1-O 3.23Å; Y521-F523 WeakPolarHBondContact CE1-O 3.29Å; Y521-F523 PolarHBondContact O-N 2.94Å; Y521-F523 VanDerWaalsContact O-N 3.16Å
524	G	89.8	Confident	85.5	Confident	33 Å²	33	63 Å²	63	34%	0.34	36%	0.359	S	S	.	.	S	Bend	trans	83.3	-159.3	178.1	0	0	0	0	0	114.3	I470	I470-G524 CarbonylContact O-C 3.39Å; I470-G524 WeakPolarHBondContact O-CA 3.39Å
525	L	90.1	Very high	86.7	Confident	32 Å²	32	56.3 Å²	56.3	17%	0.168	33%	0.334	C	S	.	.	S	Bend	trans	-81	141	174.1	-85	101.4	0	0	0	111.9	I470 Y471 N472 T539 I542	I470-L525 PolarHBondContact O-N 2.85Å; Y471-L525 HydrophobicContact CD1-CD1 4.37Å; N472-L525 HydrophobicContact CB-CB 4.49Å; N472-L525 WeakPolarHBondContact CB-O 3.26Å; N472-L525 PolarHBondContact ND2-O 3.4Å; L525-T539 HydrophobicContact CD2-CG2 4.11Å; L525-I542 HydrophobicContact CD2-CD1 4.46Å
526	D	91.1	Very high	87.3	Confident	11 Å²	11	59 Å²	59	6%	0.059	35%	0.348	C	S	.	.			trans	-61.1	128.4	175.8	-165.5	-45.3	0	0	0	110.7	S484 S485 Y521 V528 W529	S484-D526 PolarHBondContact OG-OD1 3.31Å; S485-D526 PolarHBondContact N-OD2 3.06Å; Y521-D526 HydrophobicContact CD2-CB 4.44Å; Y521-D526 HydrophobicContact CG-CB 4.29Å; D526-V528 HydrophobicContact CB-CG1 4.23Å; D526-V528 PolarHBondContact O-N 2.84Å; D526-V528 VanDerWaalsContact O-N 3.09Å; D526-V528 WeakPolarHBondContact OD1-CG1 3.41Å; D526-V528 PolarHBondContact OD1-N 3.32Å; D526-W529 VanDerWaalsContact O-CD1 3.24Å; D526-W529 PolarHBondContact O-N 3.01Å
527	P	90	Very high	87.8	Confident	10 Å²	10	63.3 Å²	63.3	7%	0.065	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-54.3	-27.7	179.5	-20	23.4	0	0	0	114.6	N472 S478 A479 N480 Y521 W529 Q530	N472-P527 WeakPolarHBondContact ND2-CG 3.32Å; S478-P527 PolarHBondContact OG-O 3.48Å; A479-P527 WeakPolarHBondContact O-CG 3.47Å; N480-P527 HydrophobicContact CB-CB 4.34Å; N480-P527 HydrophobicContact CB-CG 4.14Å; Y521-P527 HydrophobicContact CE2-CG 4.2Å; P527-W529 PolarHBondContact O-N 3.39Å; P527-W529 VanDerWaalsContact O-N 3.13Å; P527-Q530 PolarHBondContact O-N 3.35Å; P527-Q530 VanDerWaalsContact O-N 3.14Å
528	V	88.9	Confident	88.4	Confident	34 Å²	34	64.1 Å²	64.1	21%	0.206	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-58.7	-29	-178.4	75.6	0	0	0	0	112.5	W486 D526 Q530 L531 S532	W486-V528 HydrophobicContact CB-CB 4.35Å; W486-V528 HydrophobicContact CB-CG1 3.95Å; W486-V528 HydrophobicContact CB-CG2 4.2Å; W486-V528 HydrophobicContact CG-CG1 3.87Å; D526-V528 HydrophobicContact CB-CG1 4.23Å; D526-V528 PolarHBondContact O-N 2.84Å; D526-V528 VanDerWaalsContact O-N 3.09Å; D526-V528 WeakPolarHBondContact OD1-CG1 3.41Å; D526-V528 PolarHBondContact OD1-N 3.32Å; V528-Q530 PolarHBondContact O-N 3.42Å; V528-L531 PolarHBondContact O-N 3.45Å; V528-L531 VanDerWaalsContact O-N 3.12Å; V528-S532 PolarHBondContact O-N 3.37Å
529	W	89.6	Confident	89.1	Confident	58 Å²	58	63.6 Å²	63.6	22%	0.22	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-64.1	-26.8	-178.2	-67.9	112.6	0	0	0	112.3	W486 D526 P527 L531 S532 K535 L538	W486-W529 HydrophobicContact CZ2-CZ2 4.28Å; D526-W529 VanDerWaalsContact O-CD1 3.24Å; D526-W529 PolarHBondContact O-N 3.01Å; P527-W529 PolarHBondContact O-N 3.39Å; P527-W529 VanDerWaalsContact O-N 3.13Å; W529-L531 PolarHBondContact O-N 3Å; W529-S532 PolarHBondContact O-N 3.36Å; W529-S532 VanDerWaalsContact O-N 3.14Å; W529-S532 PolarHBondContact O-OG 2.99Å; W529-K535 WeakPolarHBondContact O-CB 3.35Å; W529-L538 HydrophobicContact CD2-CD2 3.29Å; W529-L538 HydrophobicContact CE3-CD2 3.69Å; W529-L538 HydrophobicContact CG-CD2 3.73Å; W529-L538 HydrophobicContact CH2-CD2 4.02Å; W529-L538 HydrophobicContact CZ2-CD2 3.64Å; W529-L538 HydrophobicContact CZ3-CD2 4.03Å
530	Q	86.8	Confident	89.6	Confident	62 Å²	62	60.1 Å²	60.1	29%	0.29	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-66.8	-27	178.4	-168.5	61.6	-7.6	0	0	112.8	S476 S478 P527 V528	S476-Q530 PolarHBondContact O-NE2 3.36Å; S478-Q530 WeakPolarHBondContact OG-CB 3.4Å; P527-Q530 PolarHBondContact O-N 3.35Å; P527-Q530 VanDerWaalsContact O-N 3.14Å; V528-Q530 PolarHBondContact O-N 3.42Å
531	L	85.8	Confident	89.8	Confident	158 Å²	158	57.7 Å²	57.7	83%	0.827	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-86.9	-17.7	176.2	-61.7	169.8	0	0	0	112.7	V528 W529	V528-L531 PolarHBondContact O-N 3.45Å; V528-L531 VanDerWaalsContact O-N 3.12Å; W529-L531 PolarHBondContact O-N 3Å
532	S	87.4	Confident	90	Very high	28 Å²	28	58.7 Å²	58.7	20%	0.196	34%	0.34	C	S	.	.			trans	-76.2	143.8	-172.9	75.9	0	0	0	0	113.1	V528 W529 N534 K535	V528-S532 PolarHBondContact O-N 3.37Å; W529-S532 PolarHBondContact O-N 3.36Å; W529-S532 VanDerWaalsContact O-N 3.14Å; W529-S532 PolarHBondContact O-OG 2.99Å; S532-N534 VanDerWaalsContact C-N 3.28Å; S532-N534 WeakPolarHBondContact CB-OD1 3.17Å; S532-N534 PolarHBondContact O-N 3.11Å; S532-N534 PolarHBondContact OG-OD1 3.42Å; S532-K535 PolarHBondContact OG-N 2.61Å
533	G	86.2	Confident	90.3	Very high	90 Å²	90	55.6 Å²	55.6	93%	0.928	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-20.5	175.2	0	0	0	0	0	114.1
534	N	90.4	Very high	90.4	Very high	75 Å²	75	55.3 Å²	55.3	40%	0.401	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	16.6	-177.6	61.3	-16.7	0	0	0	113.7	S532 I536 M537 L538	S532-N534 VanDerWaalsContact C-N 3.28Å; S532-N534 WeakPolarHBondContact CB-OD1 3.17Å; S532-N534 PolarHBondContact O-N 3.11Å; S532-N534 PolarHBondContact OG-OD1 3.42Å; N534-I536 VanDerWaalsContact C-N 3.29Å; N534-I536 PolarHBondContact O-N 2.95Å; N534-M537 WeakPolarHBondContact O-CB 3.38Å; N534-M537 PolarHBondContact O-N 3.42Å; N534-M537 VanDerWaalsContact O-N 3.16Å; N534-L538 PolarHBondContact O-N 3.36Å
535	K	90.7	Very high	90.6	Very high	24 Å²	24	55.1 Å²	55.1	10%	0.104	31%	0.308	C	S	.	.	H	α-helix	trans	-55	-39.8	-179.6	76.7	178.9	178.2	172	0	114.1	W529 S532 M537 L538 T539 E785	W529-K535 WeakPolarHBondContact O-CB 3.35Å; S532-K535 PolarHBondContact OG-N 2.61Å; K535-M537 VanDerWaalsContact C-N 3.3Å; K535-M537 PolarHBondContact O-N 2.55Å; K535-L538 PolarHBondContact O-N 3.36Å; K535-T539 WeakPolarHBondContact O-CB 3.44Å; K535-T539 VanDerWaalsContact O-CG2 3.31Å; K535-T539 WeakPolarHBondContact O-CG2 3.34Å; K535-T539 PolarHBondContact O-N 3.3Å; K535-T539 PolarHBondContact O-OG1 3.14Å; K535-E785 WeakPolarHBondContact CE-OE2 3.39Å; K535-E785 IonicContact NZ-OE1 2.9Å; K535-E785 PolarHBondContact NZ-OE1 3.23Å; K535-E785 IonicContact NZ-OE2 3.34Å; K535-E785 PolarHBondContact NZ-OE2 3.13Å
536	I	90.8	Very high	90.8	Very high	81 Å²	81	56.1 Å²	56.1	42%	0.415	31%	0.312	S	S	.	.	H	α-helix	trans	-66	-38.1	-176.7	-62.8	174.5	0	0	0	109.8	N534 T539 N540	N534-I536 VanDerWaalsContact C-N 3.29Å; N534-I536 PolarHBondContact O-N 2.95Å; I536-T539 WeakPolarHBondContact CA-OG1 3.41Å; I536-T539 PolarHBondContact O-OG1 3.36Å; I536-N540 WeakPolarHBondContact O-CB 3.15Å; I536-N540 PolarHBondContact O-N 3.15Å
537	M	92	Very high	91	Very high	138 Å²	138	55.6 Å²	55.6	68%	0.68	31%	0.31	S	S	*	.	H	α-helix	trans	-64.3	-44.5	179.7	-171.7	-177.7	74.9	0	0	111.6	N534 K535 S541	N534-M537 WeakPolarHBondContact O-CB 3.38Å; N534-M537 PolarHBondContact O-N 3.42Å; N534-M537 VanDerWaalsContact O-N 3.16Å; K535-M537 VanDerWaalsContact C-N 3.3Å; K535-M537 PolarHBondContact O-N 2.55Å; M537-S541 WeakPolarHBondContact O-CB 3.36Å; M537-S541 PolarHBondContact O-N 2.99Å
538	L	90.9	Very high	91.2	Very high	48 Å²	48	56.1 Å²	56.1	25%	0.251	31%	0.313	S	S	.	.	H	α-helix	trans	-68.9	-52.6	178.7	-179.8	70.5	0	0	0	111.8	W529 N534 K535 N540 S541 I542	W529-L538 HydrophobicContact CD2-CD2 3.29Å; W529-L538 HydrophobicContact CE3-CD2 3.69Å; W529-L538 HydrophobicContact CG-CD2 3.73Å; W529-L538 HydrophobicContact CH2-CD2 4.02Å; W529-L538 HydrophobicContact CZ2-CD2 3.64Å; W529-L538 HydrophobicContact CZ3-CD2 4.03Å; N534-L538 PolarHBondContact O-N 3.36Å; K535-L538 PolarHBondContact O-N 3.36Å; L538-N540 VanDerWaalsContact C-N 3.31Å; L538-N540 PolarHBondContact O-N 3.19Å; L538-S541 PolarHBondContact O-N 3.43Å; L538-I542 HydrophobicContact CD1-CD1 3.89Å; L538-I542 HydrophobicContact CD1-CG1 4.39Å; L538-I542 HydrophobicContact CD2-CD1 4.44Å; L538-I542 HydrophobicContact CG-CD1 3.85Å; L538-I542 WeakPolarHBondContact O-CG1 3.16Å; L538-I542 PolarHBondContact O-N 2.68Å
539	T	91.8	Very high	91.6	Very high	38 Å²	38	55.1 Å²	55.1	23%	0.233	31%	0.307	C	S	.	.	H	α-helix	trans	-61.9	-39.3	-176.8	52.5	0	0	0	0	111.6	L525 K535 I536 I542 K543	L525-T539 HydrophobicContact CD2-CG2 4.11Å; K535-T539 WeakPolarHBondContact O-CB 3.44Å; K535-T539 VanDerWaalsContact O-CG2 3.31Å; K535-T539 WeakPolarHBondContact O-CG2 3.34Å; K535-T539 PolarHBondContact O-N 3.3Å; K535-T539 PolarHBondContact O-OG1 3.14Å; I536-T539 WeakPolarHBondContact CA-OG1 3.41Å; I536-T539 PolarHBondContact O-OG1 3.36Å; T539-I542 PolarHBondContact O-N 3.32Å; T539-K543 VanDerWaalsContact O-CB 3.24Å; T539-K543 WeakPolarHBondContact O-CB 3.34Å; T539-K543 VanDerWaalsContact O-CG 3.31Å; T539-K543 WeakPolarHBondContact O-CG 3.34Å; T539-K543 PolarHBondContact O-N 3.21Å
540	N	93.2	Very high	91.8	Very high	51 Å²	51	54 Å²	54	27%	0.273	31%	0.305	S	S	.	.	H	α-helix	trans	-59.8	-51.4	173.5	-177.8	-1.8	0	0	0	111.3	I536 L538 I542 K543 M544 W774 L778	I536-N540 WeakPolarHBondContact O-CB 3.15Å; I536-N540 PolarHBondContact O-N 3.15Å; L538-N540 VanDerWaalsContact C-N 3.31Å; L538-N540 PolarHBondContact O-N 3.19Å; N540-I542 VanDerWaalsContact C-N 3.33Å; N540-I542 PolarHBondContact O-N 3.49Å; N540-K543 PolarHBondContact O-N 3.21Å; N540-M544 VanDerWaalsContact O-CB 3.22Å; N540-M544 WeakPolarHBondContact O-CB 3.26Å; N540-M544 PolarHBondContact O-N 3.31Å; N540-W774 WeakPolarHBondContact OD1-CZ2 3.36Å; N540-W774 PolarHBondContact OD1-NE1 2.93Å; N540-L778 HydrophobicContact CB-CD1 4.21Å
541	S	92.4	Very high	92.2	Very high	46 Å²	46	51 Å²	51	32%	0.322	29%	0.291	S	S	.	.	H	α-helix	trans	-58.9	-42.1	179.6	-174	0	0	0	0	112.8	M537 L538 K545	M537-S541 WeakPolarHBondContact O-CB 3.36Å; M537-S541 PolarHBondContact O-N 2.99Å; L538-S541 PolarHBondContact O-N 3.43Å; S541-K545 WeakPolarHBondContact O-CB 3.3Å; S541-K545 WeakPolarHBondContact O-CD 3.35Å; S541-K545 VanDerWaalsContact O-CG 3.24Å; S541-K545 WeakPolarHBondContact O-CG 3.25Å; S541-K545 PolarHBondContact O-N 3.28Å
542	I	92.6	Very high	92.6	Very high	47 Å²	47	43.5 Å²	43.5	24%	0.241	25%	0.252	C	S	.	.	H	α-helix	trans	-69.8	-51.5	178.7	-66.7	172.7	0	0	0	110.8	L525 L538 T539 N540 M544 K545 M546	L525-I542 HydrophobicContact CD2-CD1 4.46Å; L538-I542 HydrophobicContact CD1-CD1 3.89Å; L538-I542 HydrophobicContact CD1-CG1 4.39Å; L538-I542 HydrophobicContact CD2-CD1 4.44Å; L538-I542 HydrophobicContact CG-CD1 3.85Å; L538-I542 WeakPolarHBondContact O-CG1 3.16Å; L538-I542 PolarHBondContact O-N 2.68Å; T539-I542 PolarHBondContact O-N 3.32Å; N540-I542 VanDerWaalsContact C-N 3.33Å; N540-I542 PolarHBondContact O-N 3.49Å; I542-M544 PolarHBondContact O-N 2.92Å; I542-K545 PolarHBondContact O-N 3.26Å; I542-M546 WeakPolarHBondContact O-CB 3.45Å; I542-M546 PolarHBondContact O-N 2.86Å
543	K	94.2	Very high	92.9	Very high	23 Å²	23	46.3 Å²	46.3	10%	0.1	26%	0.264	C	S	.	.	H	α-helix	trans	-64	-39.1	-176.6	-74	176.1	158.2	-171.4	0	111.9	T539 N540 M546 S547 W774 S777	T539-K543 VanDerWaalsContact O-CB 3.24Å; T539-K543 WeakPolarHBondContact O-CB 3.34Å; T539-K543 VanDerWaalsContact O-CG 3.31Å; T539-K543 WeakPolarHBondContact O-CG 3.34Å; T539-K543 PolarHBondContact O-N 3.21Å; N540-K543 PolarHBondContact O-N 3.21Å; K543-M546 PolarHBondContact O-N 3.14Å; K543-S547 PolarHBondContact O-N 3.4Å; K543-S547 PolarHBondContact O-OG 3.07Å; K543-W774 HydrophobicContact CB-CB 4.43Å; K543-W774 HydrophobicContact CB-CG 4.29Å; K543-S777 WeakPolarHBondContact CD-OG 3.31Å; K543-S777 PolarHBondContact NZ-O 3.3Å
544	M	93.8	Very high	93.2	Very high	74 Å²	74	42.8 Å²	42.8	37%	0.365	22%	0.223	S	C	.	.	H	α-helix	trans	-64.6	-41.2	175	-174.7	-174.5	67.9	0	0	112.2	N540 I542 S547 V548 L771 W774	N540-M544 VanDerWaalsContact O-CB 3.22Å; N540-M544 WeakPolarHBondContact O-CB 3.26Å; N540-M544 PolarHBondContact O-N 3.31Å; I542-M544 PolarHBondContact O-N 2.92Å; M544-S547 PolarHBondContact O-OG 3.47Å; M544-V548 WeakPolarHBondContact O-CG2 3.46Å; M544-V548 PolarHBondContact O-N 2.99Å; M544-L771 HydrophobicContact CG-CD2 3.91Å; M544-W774 HydrophobicContact CB-CD2 4.05Å; M544-W774 HydrophobicContact CB-CE3 4.44Å; M544-W774 HydrophobicContact CB-CG 4.14Å; M544-W774 HydrophobicContact CG-CD2 4.38Å; M544-W774 HydrophobicContact CG-CE3 4.27Å
545	K	94.6	Very high	93.3	Very high	29 Å²	29	39.2 Å²	39.2	13%	0.126	20%	0.204	C	C	.	.	H	α-helix	trans	-68.9	-42.4	176.1	-72.2	169.7	-175.3	174.8	0	111.5	S541 I542 S547 V548 V549 I597 W601	S541-K545 WeakPolarHBondContact O-CB 3.3Å; S541-K545 WeakPolarHBondContact O-CD 3.35Å; S541-K545 VanDerWaalsContact O-CG 3.24Å; S541-K545 WeakPolarHBondContact O-CG 3.25Å; S541-K545 PolarHBondContact O-N 3.28Å; I542-K545 PolarHBondContact O-N 3.26Å; K545-S547 VanDerWaalsContact C-N 3.34Å; K545-S547 PolarHBondContact O-N 3.13Å; K545-V548 PolarHBondContact O-N 3.33Å; K545-V549 VanDerWaalsContact O-CG2 3.3Å; K545-V549 WeakPolarHBondContact O-CG2 3.45Å; K545-V549 PolarHBondContact O-N 3.48Å; K545-I597 HydrophobicContact CB-CD1 4.35Å; K545-I597 HydrophobicContact CB-CG2 4.08Å; K545-I597 HydrophobicContact CD-CG2 4.18Å; K545-I597 HydrophobicContact CG-CD1 4.39Å; K545-I597 HydrophobicContact CG-CG1 4.45Å; K545-I597 HydrophobicContact CG-CG2 4.29Å; K545-W601 HydrophobicContact CB-CH2 4.39Å; K545-W601 HydrophobicContact CB-CZ2 3.98Å; K545-W601 HydrophobicContact CD-CZ2 3.93Å
546	M	93.7	Very high	93.4	Very high	53 Å²	53	40.6 Å²	40.6	26%	0.261	21%	0.213	S	C	.	.	H	α-helix	trans	-59.2	-43.4	177.1	-178.8	-173.6	-76.6	0	0	111.6	Y471 I542 K543 V548 V549 L550	Y471-M546 HydrophobicContact CE1-CE 4.21Å; Y471-M546 HydrophobicContact CE1-SD 4.13Å; I542-M546 WeakPolarHBondContact O-CB 3.45Å; I542-M546 PolarHBondContact O-N 2.86Å; K543-M546 PolarHBondContact O-N 3.14Å; M546-V548 PolarHBondContact O-N 3.25Å; M546-V549 PolarHBondContact O-N 3.41Å; M546-L550 HydrophobicContact CG-CD1 4.05Å; M546-L550 HydrophobicContact CG-CG 4.37Å; M546-L550 WeakPolarHBondContact O-CB 3.45Å; M546-L550 WeakPolarHBondContact O-CG 3.37Å; M546-L550 PolarHBondContact O-N 3.06Å
547	S	95.5	Very high	93.5	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.007	21%	0.207	C	C	.	.	H	α-helix	trans	-63.1	-40.8	179.4	66.1	0	0	0	0	112.6	K543 M544 K545 G551 Y770	K543-S547 PolarHBondContact O-N 3.4Å; K543-S547 PolarHBondContact O-OG 3.07Å; M544-S547 PolarHBondContact O-OG 3.47Å; K545-S547 VanDerWaalsContact C-N 3.34Å; K545-S547 PolarHBondContact O-N 3.13Å; S547-G551 PolarHBondContact O-N 2.93Å; S547-Y770 WeakPolarHBondContact CB-O 3.5Å
548	V	94.7	Very high	93.4	Very high	20 Å²	20	32.9 Å²	32.9	12%	0.121	18%	0.175	C	C	.	.	H	α-helix	trans	-65	-44.6	175	175.1	0	0	0	0	111.1	M544 K545 M546 G551 V552 L593 I597 L771	M544-V548 WeakPolarHBondContact O-CG2 3.46Å; M544-V548 PolarHBondContact O-N 2.99Å; K545-V548 PolarHBondContact O-N 3.33Å; M546-V548 PolarHBondContact O-N 3.25Å; V548-G551 PolarHBondContact O-N 3.22Å; V548-V552 HydrophobicContact CG1-CG2 4.31Å; V548-V552 VanDerWaalsContact O-CG2 3.3Å; V548-V552 WeakPolarHBondContact O-CG2 3.01Å; V548-V552 PolarHBondContact O-N 2.98Å; V548-L593 HydrophobicContact CG1-CD2 3.99Å; V548-I597 HydrophobicContact CG1-CD1 4.45Å; V548-L771 HydrophobicContact CG2-CD2 4.19Å
549	V	95.4	Very high	93.4	Very high	13 Å²	13	30.7 Å²	30.7	8%	0.079	16%	0.163	C	C	.	.	H	α-helix	trans	-60.7	-50	178.2	173.5	0	0	0	0	111.1	K545 M546 G551 V552 L553 V594 I597 F598	K545-V549 VanDerWaalsContact O-CG2 3.3Å; K545-V549 WeakPolarHBondContact O-CG2 3.45Å; K545-V549 PolarHBondContact O-N 3.48Å; M546-V549 PolarHBondContact O-N 3.41Å; V549-G551 VanDerWaalsContact C-N 3.33Å; V549-G551 PolarHBondContact O-N 3.12Å; V549-V552 PolarHBondContact O-N 3.09Å; V549-L553 HydrophobicContact CG1-CD1 3.97Å; V549-L553 WeakPolarHBondContact O-CB 3.4Å; V549-L553 VanDerWaalsContact O-CG 3.3Å; V549-L553 WeakPolarHBondContact O-CG 3.39Å; V549-L553 PolarHBondContact O-N 3.33Å; V549-L553 VanDerWaalsContact O-N 3.11Å; V549-V594 HydrophobicContact CG1-CG1 4.27Å; V549-V594 HydrophobicContact CG2-CG1 4.13Å; V549-V594 HydrophobicContact CG2-CG2 4.25Å; V549-I597 HydrophobicContact CG2-CD1 4.14Å; V549-I597 HydrophobicContact CG2-CG2 4.36Å; V549-F598 HydrophobicContact CG1-CE2 3.97Å; V549-F598 HydrophobicContact CG1-CZ 4.04Å; V549-F598 HydrophobicContact CG2-CE2 4.26Å
550	L	95.1	Very high	93.3	Very high	35 Å²	35	30.6 Å²	30.6	18%	0.183	16%	0.164	C	C	.	.	H	α-helix	trans	-61.5	-42	178.1	-70.5	179.6	0	0	0	111.7	F408 V412 M546 H554 L773	F408-L550 HydrophobicContact CE1-CD1 4.1Å; F408-L550 HydrophobicContact CE1-CD2 3.85Å; F408-L550 HydrophobicContact CZ-CD2 4.31Å; V412-L550 HydrophobicContact CG1-CD1 4.28Å; V412-L550 HydrophobicContact CG2-CD1 3.84Å; M546-L550 HydrophobicContact CG-CD1 4.05Å; M546-L550 HydrophobicContact CG-CG 4.37Å; M546-L550 WeakPolarHBondContact O-CB 3.45Å; M546-L550 WeakPolarHBondContact O-CG 3.37Å; M546-L550 PolarHBondContact O-N 3.06Å; L550-H554 WeakPolarHBondContact O-CB 3.4Å; L550-H554 PolarHBondContact O-N 3.13Å; L550-L773 HydrophobicContact CB-CD1 4.42Å
551	G	94	Very high	93.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.6	-47.2	179.6	0	0	0	0	0	113.7	S547 V548 V549 H554 M555 Y770	S547-G551 PolarHBondContact O-N 2.93Å; V548-G551 PolarHBondContact O-N 3.22Å; V549-G551 VanDerWaalsContact C-N 3.33Å; V549-G551 PolarHBondContact O-N 3.12Å; G551-H554 PolarHBondContact O-N 3.33Å; G551-M555 WeakPolarHBondContact O-CB 3.16Å; G551-M555 WeakPolarHBondContact O-CE 3.4Å; G551-M555 WeakPolarHBondContact O-CG 3.38Å; G551-M555 PolarHBondContact O-N 2.87Å; G551-Y770 VanDerWaalsContact CA-CD2 3.45Å
552	V	94.1	Very high	92.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.3	-42.2	179.8	174.8	0	0	0	0	111.1	V548 V549 M555 L556 F590 V594 T767	V548-V552 HydrophobicContact CG1-CG2 4.31Å; V548-V552 VanDerWaalsContact O-CG2 3.3Å; V548-V552 WeakPolarHBondContact O-CG2 3.01Å; V548-V552 PolarHBondContact O-N 2.98Å; V549-V552 PolarHBondContact O-N 3.09Å; V552-M555 HydrophobicContact CG2-CE 4.45Å; V552-M555 PolarHBondContact O-N 2.89Å; V552-L556 VanDerWaalsContact O-CB 3.28Å; V552-L556 WeakPolarHBondContact O-CB 3.06Å; V552-L556 PolarHBondContact O-N 2.75Å; V552-F590 HydrophobicContact CG1-CB 4.17Å; V552-F590 HydrophobicContact CG2-CB 3.79Å; V552-V594 HydrophobicContact CB-CG2 3.91Å; V552-V594 HydrophobicContact CG1-CG2 4.06Å; V552-V594 HydrophobicContact CG2-CG2 4.12Å; V552-T767 HydrophobicContact CG2-CG2 4.07Å
553	L	93.8	Very high	92.7	Very high	87 Å²	87	25.3 Å²	25.3	46%	0.455	14%	0.137	S	C	.	.	H	α-helix	trans	-65.1	-42	176	-68.3	176.3	0	0	0	112	V549 L556 L557	V549-L553 HydrophobicContact CG1-CD1 3.97Å; V549-L553 WeakPolarHBondContact O-CB 3.4Å; V549-L553 VanDerWaalsContact O-CG 3.3Å; V549-L553 WeakPolarHBondContact O-CG 3.39Å; V549-L553 PolarHBondContact O-N 3.33Å; V549-L553 VanDerWaalsContact O-N 3.11Å; L553-L556 PolarHBondContact O-N 3.43Å; L553-L557 WeakPolarHBondContact O-CB 3.46Å; L553-L557 PolarHBondContact O-N 3.27Å
554	H	94.1	Very high	92.4	Very high	15 Å²	15	28.1 Å²	28.1	7%	0.069	15%	0.149	C	C	.	.	H	α-helix	trans	-65.1	-42	177.8	-170.9	-143.2	0	0	0	112	L550 G551 L557 G558 Y770 H838 F842	L550-H554 WeakPolarHBondContact O-CB 3.4Å; L550-H554 PolarHBondContact O-N 3.13Å; G551-H554 PolarHBondContact O-N 3.33Å; H554-L557 WeakPolarHBondContact O-CB 3.33Å; H554-L557 PolarHBondContact O-N 3.38Å; H554-G558 PolarHBondContact O-N 3.3Å; H554-Y770 HydrophobicContact CB-CE1 4.48Å; H554-Y770 AromaticContact ND1-CE1 3.88Å; H554-Y770 AromaticContact ND1-CZ 3.75Å; H554-Y770 PolarHBondContact ND1-OH 2.89Å; H554-H838 AromaticContact CE1-NE2 3.91Å; H554-H838 AromaticContact NE2-NE2 3.98Å; H554-F842 AromaticContact CD2-CD2 3.5Å; H554-F842 AromaticContact CD2-CE2 3.75Å; H554-F842 AromaticContact CE1-CD2 3.78Å; H554-F842 AromaticContact CE1-CG 3.77Å; H554-F842 AromaticContact NE2-CD2 3.28Å; H554-F842 VanDerWaalsContact NE2-CD2 3.28Å; H554-F842 WeakPolarHBondContact NE2-CD2 3.42Å; H554-F842 AromaticContact NE2-CE2 3.7Å; H554-F842 AromaticContact NE2-CG 3.54Å; H554-F842 WeakPolarHBondContact O-CD2 3.38Å
555	M	92.6	Very high	92.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.4	-40	174.6	-75.2	-171.9	-69	0	0	112.8	G551 V552 L557 G558 I559 L586 N766 T767 Y770 K845	G551-M555 WeakPolarHBondContact O-CB 3.16Å; G551-M555 WeakPolarHBondContact O-CE 3.4Å; G551-M555 WeakPolarHBondContact O-CG 3.38Å; G551-M555 PolarHBondContact O-N 2.87Å; V552-M555 HydrophobicContact CG2-CE 4.45Å; V552-M555 PolarHBondContact O-N 2.89Å; M555-L557 VanDerWaalsContact C-N 3.32Å; M555-G558 PolarHBondContact O-N 2.73Å; M555-I559 WeakPolarHBondContact O-CG1 3.48Å; M555-I559 PolarHBondContact O-N 3.17Å; M555-L586 HydrophobicContact CB-CD2 4.42Å; M555-N766 HydrophobicContact SD-CB 3.66Å; M555-T767 HydrophobicContact CE-CG2 4.32Å; M555-T767 WeakPolarHBondContact CE-OG1 3.16Å; M555-Y770 HydrophobicContact CE-CD2 4.13Å; M555-Y770 HydrophobicContact CE-CE2 4.01Å; M555-Y770 HydrophobicContact CG-CE2 3.69Å; M555-Y770 HydrophobicContact SD-CD2 4.48Å; M555-Y770 HydrophobicContact SD-CE2 3.91Å; M555-K845 HydrophobicContact CB-CD 4.42Å
556	L	92.2	Very high	91.9	Very high	54 Å²	54	26 Å²	26	28%	0.283	14%	0.138	S	C	.	.	H	α-helix	trans	-64.3	-40.1	176.8	-171	151.2	0	0	0	110.7	V552 L553 G558 I559 S560 L586 L591	V552-L556 VanDerWaalsContact O-CB 3.28Å; V552-L556 WeakPolarHBondContact O-CB 3.06Å; V552-L556 PolarHBondContact O-N 2.75Å; L553-L556 PolarHBondContact O-N 3.43Å; L556-G558 PolarHBondContact O-N 3.43Å; L556-I559 PolarHBondContact O-N 3Å; L556-S560 WeakPolarHBondContact O-CB 3.45Å; L556-S560 PolarHBondContact O-N 3.21Å; L556-S560 PolarHBondContact O-OG 3.01Å; L556-L586 HydrophobicContact CB-CD2 4.27Å; L556-L591 HydrophobicContact CD1-CD2 4.3Å
557	L	92	Very high	91.6	Very high	57 Å²	57	31.4 Å²	31.4	30%	0.298	16%	0.155	S	C	.	.	H	α-helix	trans	-56.6	-49.5	171.1	-177.3	66.1	0	0	0	110.5	F401 L553 H554 M555 I559 S560 L561 F842	F401-L557 HydrophobicContact CD1-CD2 4.31Å; L553-L557 WeakPolarHBondContact O-CB 3.46Å; L553-L557 PolarHBondContact O-N 3.27Å; H554-L557 WeakPolarHBondContact O-CB 3.33Å; H554-L557 PolarHBondContact O-N 3.38Å; M555-L557 VanDerWaalsContact C-N 3.32Å; L557-I559 PolarHBondContact O-N 3.37Å; L557-S560 WeakPolarHBondContact CA-OG 3.33Å; L557-S560 PolarHBondContact O-N 3.29Å; L557-S560 VanDerWaalsContact O-N 3.13Å; L557-S560 PolarHBondContact O-OG 2.94Å; L557-L561 WeakPolarHBondContact O-CG 3.5Å; L557-L561 PolarHBondContact O-N 2.88Å; L557-F842 HydrophobicContact CB-CE2 4.39Å; L557-F842 HydrophobicContact CD2-CE2 4.23Å; L557-F842 HydrophobicContact CG-CE2 4.23Å
558	G	91.3	Very high	91.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-55.3	-47.8	177.2	0	0	0	0	0	113.7	H554 M555 L556 S560 L561 G562 F846	H554-G558 PolarHBondContact O-N 3.3Å; M555-G558 PolarHBondContact O-N 2.73Å; L556-G558 PolarHBondContact O-N 3.43Å; G558-S560 VanDerWaalsContact C-N 3.33Å; G558-S560 PolarHBondContact O-N 2.96Å; G558-L561 PolarHBondContact O-N 3.34Å; G558-G562 PolarHBondContact O-N 3.36Å; G558-F846 WeakPolarHBondContact O-CD1 3.03Å
559	I	90.9	Very high	90.8	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-63.2	-40.9	177.3	-58.8	178.6	0	0	0	110.9	M555 L556 L557 L561 G562 A563 L579 Q582 I583 L586 F759 K845	M555-I559 WeakPolarHBondContact O-CG1 3.48Å; M555-I559 PolarHBondContact O-N 3.17Å; L556-I559 PolarHBondContact O-N 3Å; L557-I559 PolarHBondContact O-N 3.37Å; I559-L561 VanDerWaalsContact C-N 3.28Å; I559-L561 PolarHBondContact O-N 2.9Å; I559-G562 WeakPolarHBondContact O-CA 3.13Å; I559-G562 PolarHBondContact O-N 3.37Å; I559-A563 PolarHBondContact O-N 3.25Å; I559-L579 HydrophobicContact CG2-CD1 3.73Å; I559-L579 WeakPolarHBondContact O-CD1 3.47Å; I559-Q582 HydrophobicContact CG2-CB 4.48Å; I559-I583 HydrophobicContact CG2-CD1 4.22Å; I559-I583 HydrophobicContact CG2-CG1 3.56Å; I559-L586 HydrophobicContact CD1-CB 4.49Å; I559-L586 HydrophobicContact CD1-CD2 3.81Å; I559-F759 HydrophobicContact CD1-CE2 3.98Å; I559-F759 HydrophobicContact CD1-CZ 3.84Å; I559-K845 HydrophobicContact CG1-CB 4.23Å; I559-K845 HydrophobicContact CG1-CD 3.8Å; I559-K845 HydrophobicContact CG1-CG 4.12Å
560	S	89.9	Confident	90.2	Very high	35 Å²	35	45.7 Å²	45.7	25%	0.245	22%	0.222	C	C	.	.	H	α-helix	trans	-64.3	-30.9	178.9	71.4	0	0	0	0	113	L556 L557 G558 G562 A563 F564	L556-S560 WeakPolarHBondContact O-CB 3.45Å; L556-S560 PolarHBondContact O-N 3.21Å; L556-S560 PolarHBondContact O-OG 3.01Å; L557-S560 WeakPolarHBondContact CA-OG 3.33Å; L557-S560 PolarHBondContact O-N 3.29Å; L557-S560 VanDerWaalsContact O-N 3.13Å; L557-S560 PolarHBondContact O-OG 2.94Å; G558-S560 VanDerWaalsContact C-N 3.33Å; G558-S560 PolarHBondContact O-N 2.96Å; S560-G562 VanDerWaalsContact C-N 3.31Å; S560-G562 PolarHBondContact O-N 3.43Å; S560-A563 WeakPolarHBondContact O-CB 3.42Å; S560-A563 PolarHBondContact O-N 2.81Å; S560-A563 VanDerWaalsContact O-N 3.17Å; S560-F564 VanDerWaalsContact O-CD2 3.29Å; S560-F564 WeakPolarHBondContact O-CD2 3.48Å
561	L	90	Very high	89.6	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-65	-35.2	171.7	-64.8	178.3	0	0	0	112.4	V396 F401 L557 G558 I559 A563 F564 N565 F842 F846	V396-L561 HydrophobicContact CG1-CD2 4.42Å; F401-L561 HydrophobicContact CD2-CD1 3.49Å; F401-L561 VanDerWaalsContact CD2-CD1 3.49Å; F401-L561 HydrophobicContact CD2-CD2 4.34Å; F401-L561 HydrophobicContact CE1-CD2 4.25Å; F401-L561 HydrophobicContact CE2-CD1 3.41Å; F401-L561 VanDerWaalsContact CE2-CD1 3.41Å; F401-L561 HydrophobicContact CE2-CD2 3.42Å; F401-L561 VanDerWaalsContact CE2-CD2 3.42Å; F401-L561 HydrophobicContact CE2-CG 4.07Å; F401-L561 HydrophobicContact CG-CD1 4.18Å; F401-L561 HydrophobicContact CZ-CD1 4.05Å; F401-L561 HydrophobicContact CZ-CD2 3.38Å; F401-L561 HydrophobicContact CZ-CG 4.34Å; L557-L561 WeakPolarHBondContact O-CG 3.5Å; L557-L561 PolarHBondContact O-N 2.88Å; G558-L561 PolarHBondContact O-N 3.34Å; I559-L561 VanDerWaalsContact C-N 3.28Å; I559-L561 PolarHBondContact O-N 2.9Å; L561-A563 PolarHBondContact O-N 3.39Å; L561-F564 HydrophobicContact CD2-CD2 4.42Å; L561-F564 WeakPolarHBondContact O-CB 3.21Å; L561-F564 PolarHBondContact O-N 3.16Å; L561-N565 PolarHBondContact O-N 3.46Å; L561-F842 HydrophobicContact CD1-CE1 4.49Å; L561-F842 HydrophobicContact CD1-CE2 4.38Å; L561-F842 HydrophobicContact CD1-CZ 3.7Å; L561-F846 HydrophobicContact CB-CB 4.44Å; L561-F846 HydrophobicContact CB-CD1 4.13Å; L561-F846 HydrophobicContact CB-CD2 4.17Å; L561-F846 HydrophobicContact CB-CE1 4.4Å; L561-F846 HydrophobicContact CB-CE2 4.44Å; L561-F846 HydrophobicContact CB-CG 3.99Å; L561-F846 HydrophobicContact CD1-CE1 3.98Å; L561-F846 HydrophobicContact CD1-CE2 4.26Å; L561-F846 HydrophobicContact CD1-CZ 3.82Å
562	G	86.9	Confident	89.2	Confident	2 Å²	2	51.6 Å²	51.6	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-57.1	-34.3	171.8	0	0	0	0	0	112.9	G558 I559 S560 F564 N565 Y566	G558-G562 PolarHBondContact O-N 3.36Å; I559-G562 WeakPolarHBondContact O-CA 3.13Å; I559-G562 PolarHBondContact O-N 3.37Å; S560-G562 VanDerWaalsContact C-N 3.31Å; S560-G562 PolarHBondContact O-N 3.43Å; G562-F564 VanDerWaalsContact C-N 3.28Å; G562-F564 PolarHBondContact O-N 2.9Å; G562-N565 WeakPolarHBondContact O-CB 3.47Å; G562-N565 PolarHBondContact O-N 3.42Å; G562-N565 VanDerWaalsContact O-N 3.13Å; G562-Y566 WeakPolarHBondContact O-CD2 3.47Å; G562-Y566 PolarHBondContact O-N 2.71Å; G562-Y566 VanDerWaalsContact O-N 3.09Å
563	A	87.1	Confident	88.8	Confident	28 Å²	28	52.4 Å²	52.4	23%	0.231	26%	0.258	C	S	.	.	H	α-helix	trans	-59.5	-38.8	175.4	0	0	0	0	0	112.6	I559 S560 L561 N565 R567 L579	I559-A563 PolarHBondContact O-N 3.25Å; S560-A563 WeakPolarHBondContact O-CB 3.42Å; S560-A563 PolarHBondContact O-N 2.81Å; S560-A563 VanDerWaalsContact O-N 3.17Å; L561-A563 PolarHBondContact O-N 3.39Å; A563-N565 VanDerWaalsContact C-N 3.33Å; A563-R567 WeakPolarHBondContact O-CB 3.31Å; A563-R567 PolarHBondContact O-N 3.16Å; A563-L579 HydrophobicContact CB-CD1 4.06Å; A563-L579 HydrophobicContact CB-CD2 3.37Å; A563-L579 HydrophobicContact CB-CG 4.36Å
564	F	89	Confident	88.5	Confident	81 Å²	81	48.3 Å²	48.3	36%	0.355	24%	0.236	S	C	.	.	H	α-helix	trans	-69.7	-31.7	178.4	-68.2	-84.2	0	0	0	112.2	R6 V396 S560 L561 G562 N568	R6-F564 PolarHBondContact NH2-O 3.19Å; V396-F564 HydrophobicContact CG2-CB 4.08Å; S560-F564 VanDerWaalsContact O-CD2 3.29Å; S560-F564 WeakPolarHBondContact O-CD2 3.48Å; L561-F564 HydrophobicContact CD2-CD2 4.42Å; L561-F564 WeakPolarHBondContact O-CB 3.21Å; L561-F564 PolarHBondContact O-N 3.16Å; G562-F564 VanDerWaalsContact C-N 3.28Å; G562-F564 PolarHBondContact O-N 2.9Å; F564-N568 WeakPolarHBondContact O-CB 3.2Å; F564-N568 PolarHBondContact O-N 2.73Å; F564-N568 VanDerWaalsContact O-N 3.12Å
565	N	89.2	Confident	88.2	Confident	10 Å²	10	49.6 Å²	49.6	5%	0.053	24%	0.243	C	C	.	.	H	α-helix	trans	-66.8	-51.7	174.1	-73.7	-14.8	0	0	0	110.9	E395 V396 L561 G562 A563 R567 N568 N569 F846	E395-N565 WeakPolarHBondContact CG-ND2 3.09Å; V396-N565 WeakPolarHBondContact CB-OD1 3.47Å; V396-N565 WeakPolarHBondContact CG2-OD1 3.44Å; V396-N565 PolarHBondContact N-OD1 3.45Å; L561-N565 PolarHBondContact O-N 3.46Å; G562-N565 WeakPolarHBondContact O-CB 3.47Å; G562-N565 PolarHBondContact O-N 3.42Å; G562-N565 VanDerWaalsContact O-N 3.13Å; A563-N565 VanDerWaalsContact C-N 3.33Å; N565-R567 VanDerWaalsContact C-N 3.3Å; N565-R567 PolarHBondContact O-N 2.96Å; N565-N568 WeakPolarHBondContact O-CB 3.33Å; N565-N568 PolarHBondContact O-N 2.97Å; N565-N568 VanDerWaalsContact O-N 3.07Å; N565-N569 PolarHBondContact O-N 3.31Å; N565-F846 PolarHBondContact ND2-O 3.37Å
566	Y	88	Confident	88.1	Confident	50 Å²	50	57.6 Å²	57.6	20%	0.196	27%	0.273	C	S	.	.	H	α-helix	trans	-60.4	-40	178.8	-62.9	-56	0	0	0	112.6	G562 N568 N569 K570 D571 I575 L578	G562-Y566 WeakPolarHBondContact O-CD2 3.47Å; G562-Y566 PolarHBondContact O-N 2.71Å; G562-Y566 VanDerWaalsContact O-N 3.09Å; Y566-N568 VanDerWaalsContact C-N 3.32Å; Y566-N568 PolarHBondContact O-N 3.18Å; Y566-N569 PolarHBondContact O-N 2.9Å; Y566-K570 PolarHBondContact O-N 3.41Å; Y566-D571 PolarHBondContact O-N 3.08Å; Y566-D571 VanDerWaalsContact O-N 3.14Å; Y566-I575 HydrophobicContact CG-CG1 4.36Å; Y566-L578 WeakPolarHBondContact OH-CD2 3.44Å
567	R	88.8	Confident	87.9	Confident	166 Å²	166	55.2 Å²	55.2	63%	0.626	26%	0.261	S	S	*	.	H	α-helix	trans	-62.8	-39	175.4	-168.2	179	78	172.4	3.8	112.2	A563 N565 K570	A563-R567 WeakPolarHBondContact O-CB 3.31Å; A563-R567 PolarHBondContact O-N 3.16Å; N565-R567 VanDerWaalsContact C-N 3.3Å; N565-R567 PolarHBondContact O-N 2.96Å; R567-K570 PolarHBondContact O-N 2.92Å
568	N	86.5	Confident	87.7	Confident	46 Å²	46	52.7 Å²	52.7	25%	0.246	25%	0.248	C	C	.	.	H	α-helix	trans	-68.7	-43.4	178.7	-171	60.7	0	0	0	112.4	R6 F564 N565 Y566 K570	R6-N568 PolarHBondContact NH1-OD1 3.23Å; F564-N568 WeakPolarHBondContact O-CB 3.2Å; F564-N568 PolarHBondContact O-N 2.73Å; F564-N568 VanDerWaalsContact O-N 3.12Å; N565-N568 WeakPolarHBondContact O-CB 3.33Å; N565-N568 PolarHBondContact O-N 2.97Å; N565-N568 VanDerWaalsContact O-N 3.07Å; Y566-N568 VanDerWaalsContact C-N 3.32Å; Y566-N568 PolarHBondContact O-N 3.18Å; N568-K570 PolarHBondContact O-N 3.38Å
569	N	85	Confident	87.6	Confident	107 Å²	107	53.4 Å²	53.4	57%	0.572	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	2.2	-178	-64.7	-0.6	0	0	0	112.5	N565 Y566 D571	N565-N569 PolarHBondContact O-N 3.31Å; Y566-N569 PolarHBondContact O-N 2.9Å; N569-D571 PolarHBondContact O-N 2.94Å; N569-D571 VanDerWaalsContact O-N 3.15Å
570	K	83.6	Confident	87.6	Confident	181 Å²	181	56.1 Å²	56.1	79%	0.787	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	23.2	-177.3	-58	176.6	-179.3	174.8	0	113.4	Y566 R567 N568 N572	Y566-K570 PolarHBondContact O-N 3.41Å; R567-K570 PolarHBondContact O-N 2.92Å; N568-K570 PolarHBondContact O-N 3.38Å; K570-N572 VanDerWaalsContact C-N 3.33Å; K570-N572 PolarHBondContact O-N 3.21Å; K570-N572 VanDerWaalsContact O-N 3.11Å
571	D	83.1	Confident	87.7	Confident	56 Å²	56	54.5 Å²	54.5	30%	0.299	25%	0.254	S	S	.	.			trans	-88	73.7	176.5	-174	9.5	0	0	0	110.5	Y566 N569 L573 S574	Y566-D571 PolarHBondContact O-N 3.08Å; Y566-D571 VanDerWaalsContact O-N 3.14Å; N569-D571 PolarHBondContact O-N 2.94Å; N569-D571 VanDerWaalsContact O-N 3.15Å; D571-L573 PolarHBondContact O-N 3.46Å; D571-L573 WeakPolarHBondContact OD1-CB 3.41Å; D571-L573 PolarHBondContact OD1-N 3.39Å; D571-S574 PolarHBondContact O-N 3.41Å; D571-S574 PolarHBondContact OD1-N 3.34Å; D571-S574 VanDerWaalsContact OD2-CB 3.25Å; D571-S574 WeakPolarHBondContact OD2-CB 3.2Å; D571-S574 PolarHBondContact OD2-OG 2.83Å
572	N	85.2	Confident	87.8	Confident	102 Å²	102	54.7 Å²	54.7	55%	0.545	26%	0.255	S	S	.	.	H	α-helix	trans	-62.5	-24	178.7	-68.4	-9.9	0	0	0	112.4	K570 I575 W576	K570-N572 VanDerWaalsContact C-N 3.33Å; K570-N572 PolarHBondContact O-N 3.21Å; K570-N572 VanDerWaalsContact O-N 3.11Å; N572-I575 PolarHBondContact O-N 3Å; N572-W576 VanDerWaalsContact O-CD1 3.31Å
573	L	86.6	Confident	88.1	Confident	18 Å²	18	57.4 Å²	57.4	9%	0.094	27%	0.269	C	S	.	.	H	α-helix	trans	-65.3	-46.6	-179.6	-178.8	68.6	0	0	0	110.6	D571 I575 W576 C577 K660 I663 L664	D571-L573 PolarHBondContact O-N 3.46Å; D571-L573 WeakPolarHBondContact OD1-CB 3.41Å; D571-L573 PolarHBondContact OD1-N 3.39Å; L573-I575 VanDerWaalsContact C-N 3.27Å; L573-I575 PolarHBondContact O-N 3.39Å; L573-W576 PolarHBondContact O-N 3.26Å; L573-C577 VanDerWaalsContact CD1-SG 3.54Å; L573-C577 VanDerWaalsContact O-CB 3.3Å; L573-C577 WeakPolarHBondContact O-CB 3.4Å; L573-C577 PolarHBondContact O-N 3.02Å; L573-C577 PolarHBondContact O-SG 3.06Å; L573-K660 HydrophobicContact CD2-CG 4.15Å; L573-I663 HydrophobicContact CD1-CB 4.04Å; L573-I663 HydrophobicContact CD1-CD1 3.88Å; L573-I663 HydrophobicContact CD1-CG2 3.57Å; L573-I663 HydrophobicContact CD2-CG2 4.5Å; L573-L664 HydrophobicContact CD2-CD1 4.39Å; L573-L664 HydrophobicContact CD2-CD2 3.69Å; L573-L664 HydrophobicContact CD2-CG 3.78Å
574	S	86.7	Confident	88.4	Confident	0 Å²	0	59 Å²	59	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-66	-28.3	179.8	-65.7	0	0	0	0	112.8	D571 L578 L579 K660	D571-S574 PolarHBondContact O-N 3.41Å; D571-S574 PolarHBondContact OD1-N 3.34Å; D571-S574 VanDerWaalsContact OD2-CB 3.25Å; D571-S574 WeakPolarHBondContact OD2-CB 3.2Å; D571-S574 PolarHBondContact OD2-OG 2.83Å; S574-L578 WeakPolarHBondContact O-CA 3.48Å; S574-L578 WeakPolarHBondContact O-CB 3.13Å; S574-L578 PolarHBondContact O-N 3.47Å; S574-L579 PolarHBondContact O-N 3.03Å; S574-L579 VanDerWaalsContact O-N 3.12Å; S574-K660 PolarHBondContact OG-NZ 3.5Å
575	I	88.1	Confident	88.6	Confident	42 Å²	42	56.1 Å²	56.1	22%	0.215	26%	0.261	C	S	.	.	I	π-helix	trans	-60.8	-48.7	174.7	-60	177.9	0	0	0	110.8	Y566 N572 L573 L579 L580	Y566-I575 HydrophobicContact CG-CG1 4.36Å; N572-I575 PolarHBondContact O-N 3Å; L573-I575 VanDerWaalsContact C-N 3.27Å; L573-I575 PolarHBondContact O-N 3.39Å; I575-L579 HydrophobicContact CG2-CD2 4.18Å; I575-L579 WeakPolarHBondContact O-CB 3.28Å; I575-L580 PolarHBondContact O-N 3.42Å
576	W	89.3	Confident	88.7	Confident	168 Å²	168	55.8 Å²	55.8	64%	0.636	26%	0.258	S	S	*	.	I	π-helix	trans	-78.7	-37.3	-177.7	-70.5	106.6	0	0	0	113.4	N572 L573 L580 P581	N572-W576 VanDerWaalsContact O-CD1 3.31Å; L573-W576 PolarHBondContact O-N 3.26Å; W576-L580 HydrophobicContact CE3-CD1 4.26Å; W576-L580 HydrophobicContact CZ3-CD1 4.09Å; W576-P581 WeakPolarHBondContact O-CD 3.25Å
577	C	88.3	Confident	88.8	Confident	4 Å²	4	54.8 Å²	54.8	3%	0.027	26%	0.259	C	S	.	.	I	π-helix	trans	-87.1	-26.4	-173.1	-60.8	0	0	0	0	113.5	L573 S659 K660	L573-C577 VanDerWaalsContact CD1-SG 3.54Å; L573-C577 VanDerWaalsContact O-CB 3.3Å; L573-C577 WeakPolarHBondContact O-CB 3.4Å; L573-C577 PolarHBondContact O-N 3.02Å; L573-C577 PolarHBondContact O-SG 3.06Å; C577-S659 VanDerWaalsContact CB-OG 3.26Å; C577-S659 WeakPolarHBondContact CB-OG 3.46Å; C577-K660 HydrophobicContact CB-CB 3.98Å
578	L	87.2	Confident	89	Confident	5 Å²	5	47.2 Å²	47.2	3%	0.026	23%	0.232	C	C	.	.	I	π-helix	trans	-118.9	-61.7	-171.5	-163.7	65	0	0	0	111.4	Y566 S574 L580 P581 Q582 M656 H755	Y566-L578 WeakPolarHBondContact OH-CD2 3.44Å; S574-L578 WeakPolarHBondContact O-CA 3.48Å; S574-L578 WeakPolarHBondContact O-CB 3.13Å; S574-L578 PolarHBondContact O-N 3.47Å; L578-L580 PolarHBondContact O-N 2.79Å; L578-P581 WeakPolarHBondContact O-CD 3.42Å; L578-Q582 WeakPolarHBondContact O-CB 3.32Å; L578-Q582 WeakPolarHBondContact O-CG 3.37Å; L578-Q582 PolarHBondContact O-N 3.49Å; L578-M656 HydrophobicContact CD1-CG 3.71Å; L578-M656 HydrophobicContact CD1-SD 3.88Å; L578-H755 VanDerWaalsContact CD1-CE1 3.45Å; L578-H755 WeakPolarHBondContact CD1-CE1 3.44Å
579	L	90.5	Very high	89.2	Confident	15 Å²	15	45.8 Å²	45.8	8%	0.079	22%	0.224	C	C	.	.	I	π-helix	trans	-60.9	-47.5	-172.9	179.8	81.1	0	0	0	112.4	I559 A563 S574 I575 Q582 I583	I559-L579 HydrophobicContact CG2-CD1 3.73Å; I559-L579 WeakPolarHBondContact O-CD1 3.47Å; A563-L579 HydrophobicContact CB-CD1 4.06Å; A563-L579 HydrophobicContact CB-CD2 3.37Å; A563-L579 HydrophobicContact CB-CG 4.36Å; S574-L579 PolarHBondContact O-N 3.03Å; S574-L579 VanDerWaalsContact O-N 3.12Å; I575-L579 HydrophobicContact CG2-CD2 4.18Å; I575-L579 WeakPolarHBondContact O-CB 3.28Å; L579-Q582 WeakPolarHBondContact O-CB 3.43Å; L579-Q582 PolarHBondContact O-N 3.21Å; L579-I583 HydrophobicContact CD1-CD1 4.06Å; L579-I583 HydrophobicContact CD2-CD1 4.35Å; L579-I583 HydrophobicContact CG-CD1 3.88Å; L579-I583 HydrophobicContact CG-CG1 4.49Å; L579-I583 WeakPolarHBondContact O-CG1 3.4Å; L579-I583 PolarHBondContact O-N 3.22Å
580	L	91.3	Very high	89.5	Confident	58 Å²	58	41.5 Å²	41.5	30%	0.304	20%	0.2	S	C	.	.	H	α-helix	trans	-66.1	-47.7	-175.8	-176.5	138.2	0	0	0	112.4	I575 W576 L578 Q582 I583 L584 W655	I575-L580 PolarHBondContact O-N 3.42Å; W576-L580 HydrophobicContact CE3-CD1 4.26Å; W576-L580 HydrophobicContact CZ3-CD1 4.09Å; L578-L580 PolarHBondContact O-N 2.79Å; L580-Q582 VanDerWaalsContact C-N 3.3Å; L580-Q582 PolarHBondContact O-N 2.85Å; L580-I583 PolarHBondContact O-N 3.37Å; L580-L584 HydrophobicContact CD2-CD1 3.66Å; L580-L584 HydrophobicContact CG-CD1 4.24Å; L580-L584 WeakPolarHBondContact O-CB 3.43Å; L580-L584 WeakPolarHBondContact O-CG 3.3Å; L580-L584 PolarHBondContact O-N 3.11Å; L580-W655 HydrophobicContact CD2-CH2 3.17Å; L580-W655 HydrophobicContact CD2-CZ2 3.72Å; L580-W655 HydrophobicContact CD2-CZ3 3.79Å
581	P	91.8	Very high	89.9	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.006	17%	0.174	C	C	.	.	H	α-helix	trans	-57.1	-39.3	170.4	-28.9	37.2	0	0	0	113.9	W576 L578 L584 F585 C652 W655 M656	W576-P581 WeakPolarHBondContact O-CD 3.25Å; L578-P581 WeakPolarHBondContact O-CD 3.42Å; P581-L584 PolarHBondContact O-N 3.33Å; P581-F585 WeakPolarHBondContact O-CB 3.12Å; P581-F585 PolarHBondContact O-N 3.31Å; P581-C652 HydrophobicContact CB-CB 4.33Å; P581-W655 HydrophobicContact CG-CB 4.44Å; P581-W655 HydrophobicContact CG-CD2 3.64Å; P581-W655 HydrophobicContact CG-CE3 4.05Å; P581-W655 HydrophobicContact CG-CG 3.81Å; P581-W655 HydrophobicContact CG-CZ2 4.42Å; P581-M656 HydrophobicContact CB-CB 4.22Å
582	Q	92	Very high	90.4	Very high	9 Å²	9	33.3 Å²	33.3	4%	0.042	16%	0.163	C	C	.	.	H	α-helix	trans	-64.1	-46.5	178.3	-76.3	-178.9	-14	0	0	113	I559 L578 L579 L580 L586 M656 H755 F759	I559-Q582 HydrophobicContact CG2-CB 4.48Å; L578-Q582 WeakPolarHBondContact O-CB 3.32Å; L578-Q582 WeakPolarHBondContact O-CG 3.37Å; L578-Q582 PolarHBondContact O-N 3.49Å; L579-Q582 WeakPolarHBondContact O-CB 3.43Å; L579-Q582 PolarHBondContact O-N 3.21Å; L580-Q582 VanDerWaalsContact C-N 3.3Å; L580-Q582 PolarHBondContact O-N 2.85Å; Q582-L586 PolarHBondContact O-N 3.31Å; Q582-L586 VanDerWaalsContact O-N 3.09Å; Q582-M656 HydrophobicContact CG-SD 3.73Å; Q582-H755 PolarHBondContact NE2-CE1 3.14Å; Q582-H755 VanDerWaalsContact NE2-CE1 3.34Å; Q582-F759 HydrophobicContact CB-CE1 3.78Å; Q582-F759 HydrophobicContact CB-CE2 3.92Å; Q582-F759 HydrophobicContact CB-CZ 3.39Å; Q582-F759 HydrophobicContact CG-CD1 3.91Å; Q582-F759 HydrophobicContact CG-CD2 3.97Å; Q582-F759 HydrophobicContact CG-CE1 3.58Å; Q582-F759 HydrophobicContact CG-CE2 3.63Å; Q582-F759 HydrophobicContact CG-CG 4.1Å; Q582-F759 HydrophobicContact CG-CZ 3.43Å; Q582-F759 VanDerWaalsContact CG-CZ 3.43Å
583	I	92.7	Very high	90.7	Very high	59 Å²	59	29.5 Å²	29.5	30%	0.303	14%	0.143	S	C	.	.	H	α-helix	trans	-64.4	-45.6	177.1	-69	174.4	0	0	0	110.2	I559 L579 L580 S587	I559-I583 HydrophobicContact CG2-CD1 4.22Å; I559-I583 HydrophobicContact CG2-CG1 3.56Å; L579-I583 HydrophobicContact CD1-CD1 4.06Å; L579-I583 HydrophobicContact CD2-CD1 4.35Å; L579-I583 HydrophobicContact CG-CD1 3.88Å; L579-I583 HydrophobicContact CG-CG1 4.49Å; L579-I583 WeakPolarHBondContact O-CG1 3.4Å; L579-I583 PolarHBondContact O-N 3.22Å; L580-I583 PolarHBondContact O-N 3.37Å; I583-S587 WeakPolarHBondContact O-CB 3.08Å; I583-S587 PolarHBondContact O-N 3.35Å; I583-S587 PolarHBondContact O-OG 2.94Å
584	L	93.1	Very high	91.1	Very high	62 Å²	62	29 Å²	29	33%	0.325	14%	0.14	S	C	.	.	H	α-helix	trans	-61.2	-46.9	178.3	-74.1	176.2	0	0	0	111.6	L580 P581 L586 S587 C588 W655	L580-L584 HydrophobicContact CD2-CD1 3.66Å; L580-L584 HydrophobicContact CG-CD1 4.24Å; L580-L584 WeakPolarHBondContact O-CB 3.43Å; L580-L584 WeakPolarHBondContact O-CG 3.3Å; L580-L584 PolarHBondContact O-N 3.11Å; P581-L584 PolarHBondContact O-N 3.33Å; L584-L586 PolarHBondContact O-N 3.17Å; L584-S587 PolarHBondContact O-N 2.65Å; L584-C588 WeakPolarHBondContact O-CB 3.38Å; L584-C588 PolarHBondContact O-N 3.34Å; L584-C588 PolarHBondContact O-SG 3.4Å; L584-W655 HydrophobicContact CD1-CZ3 4.23Å
585	F	93.2	Very high	91.4	Very high	20 Å²	20	33.6 Å²	33.6	9%	0.088	16%	0.164	C	C	.	.	H	α-helix	trans	-58.3	-50.3	178.5	-178.4	-98.2	0	0	0	112.1	P581 S587 I589 A649 C652 V653 F759 C760 C763	P581-F585 WeakPolarHBondContact O-CB 3.12Å; P581-F585 PolarHBondContact O-N 3.31Å; F585-S587 VanDerWaalsContact C-N 3.34Å; F585-S587 PolarHBondContact O-N 2.94Å; F585-I589 HydrophobicContact CE1-CD1 4.36Å; F585-I589 HydrophobicContact CE2-CD1 4Å; F585-I589 HydrophobicContact CZ-CD1 3.9Å; F585-A649 HydrophobicContact CD2-CB 4.14Å; F585-A649 HydrophobicContact CE2-CB 4.43Å; F585-C652 HydrophobicContact CB-CB 4.28Å; F585-V653 HydrophobicContact CD2-CG2 4.42Å; F585-V653 HydrophobicContact CE2-CG2 4.14Å; F585-F759 HydrophobicContact CD1-CE1 4.09Å; F585-C760 HydrophobicContact CE1-CB 4.45Å; F585-C760 HydrophobicContact CZ-CB 4.29Å; F585-C763 HydrophobicContact CE1-CB 4.08Å
586	L	91.7	Very high	91.6	Very high	2 Å²	2	32 Å²	32	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-63.7	-40.9	178	-174.2	76.2	0	0	0	111.5	M555 L556 I559 Q582 L584 F590 L591	M555-L586 HydrophobicContact CB-CD2 4.42Å; L556-L586 HydrophobicContact CB-CD2 4.27Å; I559-L586 HydrophobicContact CD1-CB 4.49Å; I559-L586 HydrophobicContact CD1-CD2 3.81Å; Q582-L586 PolarHBondContact O-N 3.31Å; Q582-L586 VanDerWaalsContact O-N 3.09Å; L584-L586 PolarHBondContact O-N 3.17Å; L586-F590 HydrophobicContact CD1-CB 4.4Å; L586-F590 HydrophobicContact CD1-CD2 3.87Å; L586-F590 PolarHBondContact O-N 3.21Å; L586-L591 PolarHBondContact O-N 2.96Å
587	S	91.2	Very high	91.8	Very high	29 Å²	29	24.3 Å²	24.3	20%	0.203	13%	0.127	C	C	.	.	I	π-helix	trans	-69.1	-40.5	-176.4	-60.1	0	0	0	0	112.2	I583 L584 F585 I589 L591 Y592	I583-S587 WeakPolarHBondContact O-CB 3.08Å; I583-S587 PolarHBondContact O-N 3.35Å; I583-S587 PolarHBondContact O-OG 2.94Å; L584-S587 PolarHBondContact O-N 2.65Å; F585-S587 VanDerWaalsContact C-N 3.34Å; F585-S587 PolarHBondContact O-N 2.94Å; S587-I589 VanDerWaalsContact C-N 3.32Å; S587-I589 PolarHBondContact O-N 3.01Å; S587-L591 WeakPolarHBondContact O-CB 3.4Å; S587-L591 PolarHBondContact O-N 3.11Å; S587-Y592 PolarHBondContact O-N 3.06Å; S587-Y592 VanDerWaalsContact O-N 3.12Å
588	C	91.6	Very high	92	Very high	8 Å²	8	29 Å²	29	5%	0.054	15%	0.147	C	C	.	.	I	π-helix	trans	-64.5	-35.5	-179	-69	0	0	0	0	112.8	L584 Y592 L645 A649	L584-C588 WeakPolarHBondContact O-CB 3.38Å; L584-C588 PolarHBondContact O-N 3.34Å; L584-C588 PolarHBondContact O-SG 3.4Å; C588-Y592 VanDerWaalsContact O-CB 3.32Å; C588-Y592 WeakPolarHBondContact O-CB 3.45Å; C588-L645 HydrophobicContact CB-CB 4.25Å; C588-L645 HydrophobicContact CB-CD2 4.22Å; C588-A649 HydrophobicContact CB-CB 4.2Å
589	I	90.5	Very high	92.3	Very high	16 Å²	16	32.5 Å²	32.5	8%	0.082	16%	0.162	C	C	.	.	I	π-helix	trans	-93.6	-59.9	-176.9	-59	175	0	0	0	111	F585 S587 L593 L619 M622 A649	F585-I589 HydrophobicContact CE1-CD1 4.36Å; F585-I589 HydrophobicContact CE2-CD1 4Å; F585-I589 HydrophobicContact CZ-CD1 3.9Å; S587-I589 VanDerWaalsContact C-N 3.32Å; S587-I589 PolarHBondContact O-N 3.01Å; I589-L593 PolarHBondContact O-N 3.23Å; I589-L619 HydrophobicContact CG2-CD1 4.39Å; I589-M622 HydrophobicContact CG2-CE 4.31Å; I589-A649 HydrophobicContact CD1-CB 4.39Å; I589-A649 HydrophobicContact CG1-CB 4.35Å
590	F	91.8	Very high	92.3	Very high	16 Å²	16	33.8 Å²	33.8	7%	0.07	17%	0.168	C	C	.	.	I	π-helix	trans	-95.3	-35.8	-165.1	-68	-68.6	0	0	0	113.7	V552 L586 Y592 L593 V594 I764 T767	V552-F590 HydrophobicContact CG1-CB 4.17Å; V552-F590 HydrophobicContact CG2-CB 3.79Å; L586-F590 HydrophobicContact CD1-CB 4.4Å; L586-F590 HydrophobicContact CD1-CD2 3.87Å; L586-F590 PolarHBondContact O-N 3.21Å; F590-Y592 VanDerWaalsContact C-N 3.29Å; F590-L593 WeakPolarHBondContact O-CB 3.47Å; F590-L593 PolarHBondContact O-N 3.05Å; F590-V594 PolarHBondContact O-N 3.4Å; F590-I764 HydrophobicContact CE2-CG1 4.41Å; F590-I764 HydrophobicContact CZ-CB 4.49Å; F590-I764 HydrophobicContact CZ-CG1 4.23Å; F590-T767 HydrophobicContact CD1-CG2 3.59Å; F590-T767 HydrophobicContact CE1-CG2 3.66Å; F590-T767 HydrophobicContact CG-CG2 4.23Å; F590-T767 HydrophobicContact CZ-CG2 4.36Å
591	L	92.6	Very high	92.2	Very high	48 Å²	48	36.6 Å²	36.6	25%	0.251	17%	0.174	S	C	.	.	I	π-helix	trans	-67.2	-37.3	172.5	-174.2	66.1	0	0	0	110.5	L556 L586 S587 L593 V594 I595	L556-L591 HydrophobicContact CD1-CD2 4.3Å; L586-L591 PolarHBondContact O-N 2.96Å; S587-L591 WeakPolarHBondContact O-CB 3.4Å; S587-L591 PolarHBondContact O-N 3.11Å; L591-L593 VanDerWaalsContact C-N 3.33Å; L591-L593 PolarHBondContact O-N 3.29Å; L591-V594 WeakPolarHBondContact O-CB 3.39Å; L591-V594 PolarHBondContact O-N 2.86Å; L591-V594 VanDerWaalsContact O-N 3.14Å; L591-I595 HydrophobicContact CG-CD1 4.43Å; L591-I595 WeakPolarHBondContact O-CG1 3.35Å; L591-I595 PolarHBondContact O-N 3.37Å
592	Y	93.2	Very high	92.1	Very high	18 Å²	18	42.5 Å²	42.5	7%	0.071	21%	0.21	C	C	.	.	H	α-helix	trans	-57.4	-44.4	170.3	178.9	-110.9	0	0	0	112	S587 C588 F590 V594 I595 L596 M622 Y635 V641 Q642 L645	S587-Y592 PolarHBondContact O-N 3.06Å; S587-Y592 VanDerWaalsContact O-N 3.12Å; C588-Y592 VanDerWaalsContact O-CB 3.32Å; C588-Y592 WeakPolarHBondContact O-CB 3.45Å; F590-Y592 VanDerWaalsContact C-N 3.29Å; Y592-V594 VanDerWaalsContact C-N 3.3Å; Y592-V594 PolarHBondContact O-N 3.42Å; Y592-I595 WeakPolarHBondContact O-CB 3.34Å; Y592-I595 PolarHBondContact O-N 2.88Å; Y592-I595 VanDerWaalsContact O-N 3.13Å; Y592-L596 HydrophobicContact CD1-CD1 4.02Å; Y592-L596 HydrophobicContact CD1-CG 4.35Å; Y592-L596 HydrophobicContact CE1-CD1 3.47Å; Y592-L596 VanDerWaalsContact CE1-CD1 3.47Å; Y592-L596 HydrophobicContact CE1-CD2 4.23Å; Y592-L596 HydrophobicContact CE1-CG 3.97Å; Y592-L596 HydrophobicContact CE2-CD2 3.94Å; Y592-L596 HydrophobicContact CE2-CG 4.24Å; Y592-L596 WeakPolarHBondContact O-CG 3.39Å; Y592-L596 PolarHBondContact O-N 3.36Å; Y592-M622 HydrophobicContact CD1-SD 3.91Å; Y592-M622 HydrophobicContact CE1-SD 3.96Å; Y592-Y635 WeakPolarHBondContact CE2-OH 3.38Å; Y592-Y635 PolarHBondContact OH-OH 3.46Å; Y592-V641 HydrophobicContact CE2-CG1 4.38Å; Y592-Q642 HydrophobicContact CE1-CG 3.8Å; Y592-Q642 WeakPolarHBondContact OH-CG 3.33Å; Y592-Q642 PolarHBondContact OH-NE2 3.25Å; Y592-L645 HydrophobicContact CD1-CD1 4.24Å; Y592-L645 HydrophobicContact CD2-CD1 3.61Å; Y592-L645 HydrophobicContact CE2-CD1 4Å; Y592-L645 HydrophobicContact CG-CD1 3.74Å
593	L	92.4	Very high	91.8	Very high	22 Å²	22	44.3 Å²	44.3	12%	0.115	23%	0.226	C	C	.	.	H	α-helix	trans	-57.6	-42.1	173.6	179.4	66.4	0	0	0	112.3	V548 I589 F590 L591 L596 I597 L619	V548-L593 HydrophobicContact CG1-CD2 3.99Å; I589-L593 PolarHBondContact O-N 3.23Å; F590-L593 WeakPolarHBondContact O-CB 3.47Å; F590-L593 PolarHBondContact O-N 3.05Å; L591-L593 VanDerWaalsContact C-N 3.33Å; L591-L593 PolarHBondContact O-N 3.29Å; L593-L596 PolarHBondContact O-N 3.01Å; L593-I597 WeakPolarHBondContact O-CG1 3.29Å; L593-I597 PolarHBondContact O-N 3.2Å; L593-L619 HydrophobicContact CD2-CD2 4.24Å
594	V	93.6	Very high	91.5	Very high	7 Å²	7	43.9 Å²	43.9	4%	0.042	22%	0.221	C	C	.	.	H	α-helix	trans	-61.4	-44.1	175.1	169.5	0	0	0	0	111.3	V549 V552 F590 L591 Y592 L596 I597 F598	V549-V594 HydrophobicContact CG1-CG1 4.27Å; V549-V594 HydrophobicContact CG2-CG1 4.13Å; V549-V594 HydrophobicContact CG2-CG2 4.25Å; V552-V594 HydrophobicContact CB-CG2 3.91Å; V552-V594 HydrophobicContact CG1-CG2 4.06Å; V552-V594 HydrophobicContact CG2-CG2 4.12Å; F590-V594 PolarHBondContact O-N 3.4Å; L591-V594 WeakPolarHBondContact O-CB 3.39Å; L591-V594 PolarHBondContact O-N 2.86Å; L591-V594 VanDerWaalsContact O-N 3.14Å; Y592-V594 VanDerWaalsContact C-N 3.3Å; Y592-V594 PolarHBondContact O-N 3.42Å; V594-L596 VanDerWaalsContact C-N 3.3Å; V594-L596 PolarHBondContact O-N 3Å; V594-I597 WeakPolarHBondContact O-CB 3.45Å; V594-I597 PolarHBondContact O-N 3.27Å; V594-I597 VanDerWaalsContact O-N 3.14Å; V594-F598 HydrophobicContact CG1-CD2 3.83Å; V594-F598 HydrophobicContact CG1-CE2 3.65Å; V594-F598 VanDerWaalsContact O-CD2 3.29Å; V594-F598 WeakPolarHBondContact O-CD2 3.44Å; V594-F598 PolarHBondContact O-N 3.11Å; V594-F598 VanDerWaalsContact O-N 3.15Å
595	I	93.5	Very high	90.9	Very high	96 Å²	96	44.8 Å²	44.8	49%	0.492	23%	0.229	S	C	.	.	H	α-helix	trans	-59.9	-42.5	175.7	-66.2	164.7	0	0	0	110.5	L591 Y592 I597 F598 F599	L591-I595 HydrophobicContact CG-CD1 4.43Å; L591-I595 WeakPolarHBondContact O-CG1 3.35Å; L591-I595 PolarHBondContact O-N 3.37Å; Y592-I595 WeakPolarHBondContact O-CB 3.34Å; Y592-I595 PolarHBondContact O-N 2.88Å; Y592-I595 VanDerWaalsContact O-N 3.13Å; I595-I597 VanDerWaalsContact C-N 3.32Å; I595-I597 PolarHBondContact O-N 3.49Å; I595-F598 PolarHBondContact O-N 3.44Å; I595-F599 VanDerWaalsContact O-CB 3.28Å; I595-F599 WeakPolarHBondContact O-CB 3.49Å; I595-F599 PolarHBondContact O-N 3Å
596	L	92.4	Very high	90.4	Very high	10 Å²	10	45.4 Å²	45.4	5%	0.052	24%	0.239	C	C	.	.	H	α-helix	trans	-64.9	-33.5	176.4	-62.2	-179.5	0	0	0	113.1	Y592 L593 V594 K600 L615 L634 Y635	Y592-L596 HydrophobicContact CD1-CD1 4.02Å; Y592-L596 HydrophobicContact CD1-CG 4.35Å; Y592-L596 HydrophobicContact CE1-CD1 3.47Å; Y592-L596 VanDerWaalsContact CE1-CD1 3.47Å; Y592-L596 HydrophobicContact CE1-CD2 4.23Å; Y592-L596 HydrophobicContact CE1-CG 3.97Å; Y592-L596 HydrophobicContact CE2-CD2 3.94Å; Y592-L596 HydrophobicContact CE2-CG 4.24Å; Y592-L596 WeakPolarHBondContact O-CG 3.39Å; Y592-L596 PolarHBondContact O-N 3.36Å; L593-L596 PolarHBondContact O-N 3.01Å; V594-L596 VanDerWaalsContact C-N 3.3Å; V594-L596 PolarHBondContact O-N 3Å; L596-K600 WeakPolarHBondContact O-CB 3.23Å; L596-K600 PolarHBondContact O-N 3.25Å; L596-L615 HydrophobicContact CB-CD2 3.83Å; L596-L634 HydrophobicContact CB-CD2 4.33Å; L596-L634 HydrophobicContact CD2-CD2 3.44Å; L596-L634 VanDerWaalsContact CD2-CD2 3.44Å; L596-L634 HydrophobicContact CG-CD2 4.41Å; L596-Y635 HydrophobicContact CD2-CE1 3.9Å
597	I	92.8	Very high	89.7	Confident	6 Å²	6	50.7 Å²	50.7	3%	0.031	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-52.4	174.7	-71.2	166.8	0	0	0	110.1	K545 V548 V549 L593 V594 I595 K600 W601 L615	K545-I597 HydrophobicContact CB-CD1 4.35Å; K545-I597 HydrophobicContact CB-CG2 4.08Å; K545-I597 HydrophobicContact CD-CG2 4.18Å; K545-I597 HydrophobicContact CG-CD1 4.39Å; K545-I597 HydrophobicContact CG-CG1 4.45Å; K545-I597 HydrophobicContact CG-CG2 4.29Å; V548-I597 HydrophobicContact CG1-CD1 4.45Å; V549-I597 HydrophobicContact CG2-CD1 4.14Å; V549-I597 HydrophobicContact CG2-CG2 4.36Å; L593-I597 WeakPolarHBondContact O-CG1 3.29Å; L593-I597 PolarHBondContact O-N 3.2Å; V594-I597 WeakPolarHBondContact O-CB 3.45Å; V594-I597 PolarHBondContact O-N 3.27Å; V594-I597 VanDerWaalsContact O-N 3.14Å; I595-I597 VanDerWaalsContact C-N 3.32Å; I595-I597 PolarHBondContact O-N 3.49Å; I597-K600 PolarHBondContact O-N 3.38Å; I597-W601 HydrophobicContact CG2-CD2 4.13Å; I597-W601 HydrophobicContact CG2-CE3 4.05Å; I597-W601 HydrophobicContact CG2-CH2 3.95Å; I597-W601 HydrophobicContact CG2-CZ2 4.03Å; I597-W601 HydrophobicContact CG2-CZ3 3.95Å; I597-W601 PolarHBondContact O-N 3.03Å; I597-L615 HydrophobicContact CB-CD1 4.5Å; I597-L615 HydrophobicContact CG1-CD1 3.73Å
598	F	93.7	Very high	89.3	Confident	101 Å²	101	51.8 Å²	51.8	44%	0.443	27%	0.269	S	S	.	.	H	α-helix	trans	-64.8	-42	179.1	-75.9	-70.4	0	0	0	112.1	V549 V594 I595 K600 W601 V602	V549-F598 HydrophobicContact CG1-CE2 3.97Å; V549-F598 HydrophobicContact CG1-CZ 4.04Å; V549-F598 HydrophobicContact CG2-CE2 4.26Å; V594-F598 HydrophobicContact CG1-CD2 3.83Å; V594-F598 HydrophobicContact CG1-CE2 3.65Å; V594-F598 VanDerWaalsContact O-CD2 3.29Å; V594-F598 WeakPolarHBondContact O-CD2 3.44Å; V594-F598 PolarHBondContact O-N 3.11Å; V594-F598 VanDerWaalsContact O-N 3.15Å; I595-F598 PolarHBondContact O-N 3.44Å; F598-K600 VanDerWaalsContact C-N 3.34Å; F598-K600 PolarHBondContact O-N 2.96Å; F598-W601 AromaticContact CD1-CE3 3.79Å; F598-W601 HydrophobicContact CD1-CE3 3.79Å; F598-W601 AromaticContact CD1-CZ3 3.98Å; F598-W601 HydrophobicContact CD1-CZ3 3.98Å; F598-W601 HydrophobicContact CE1-CE3 4.08Å; F598-W601 AromaticContact CE1-CZ3 3.79Å; F598-W601 HydrophobicContact CE1-CZ3 3.79Å; F598-W601 HydrophobicContact CZ-CZ3 4.45Å; F598-W601 PolarHBondContact O-N 3.36Å; F598-V602 WeakPolarHBondContact O-CG2 3.32Å; F598-V602 PolarHBondContact O-N 2.79Å
599	F	92.5	Very high	88.8	Confident	79 Å²	79	54.5 Å²	54.5	35%	0.346	29%	0.292	S	S	.	.	H	α-helix	trans	-60.3	-45.7	176.1	-173.8	-86.5	0	0	0	111.1	I595 W601 V602 A603 L634	I595-F599 VanDerWaalsContact O-CB 3.28Å; I595-F599 WeakPolarHBondContact O-CB 3.49Å; I595-F599 PolarHBondContact O-N 3Å; F599-W601 VanDerWaalsContact C-N 3.29Å; F599-W601 PolarHBondContact O-N 2.99Å; F599-V602 PolarHBondContact O-N 3.25Å; F599-V602 VanDerWaalsContact O-N 3.11Å; F599-A603 HydrophobicContact CD1-CB 3.91Å; F599-A603 HydrophobicContact CE1-CB 3.51Å; F599-A603 HydrophobicContact CZ-CB 3.94Å; F599-A603 VanDerWaalsContact O-CB 3.28Å; F599-A603 WeakPolarHBondContact O-CB 3.48Å; F599-A603 PolarHBondContact O-N 2.85Å; F599-L634 HydrophobicContact CD1-CD1 4.35Å; F599-L634 HydrophobicContact CD1-CD2 3.49Å; F599-L634 VanDerWaalsContact CD1-CD2 3.49Å; F599-L634 HydrophobicContact CD1-CG 3.6Å; F599-L634 HydrophobicContact CE1-CD2 4.09Å; F599-L634 HydrophobicContact CE1-CG 3.72Å; F599-L634 VanDerWaalsContact CE1-O 3.25Å; F599-L634 WeakPolarHBondContact CE1-O 3.46Å; F599-L634 HydrophobicContact CG-CD2 4.29Å
600	K	90.7	Very high	88.3	Confident	43 Å²	43	59.6 Å²	59.6	19%	0.187	33%	0.329	C	S	.	.	H	α-helix	trans	-62	-36.3	177.8	-176.5	172	-179.4	173.1	0	112.2	L596 I597 F598 V602 Y604 P613 L615	L596-K600 WeakPolarHBondContact O-CB 3.23Å; L596-K600 PolarHBondContact O-N 3.25Å; I597-K600 PolarHBondContact O-N 3.38Å; F598-K600 VanDerWaalsContact C-N 3.34Å; F598-K600 PolarHBondContact O-N 2.96Å; K600-V602 VanDerWaalsContact C-N 3.28Å; K600-V602 PolarHBondContact O-N 2.89Å; K600-Y604 HydrophobicContact CG-CD2 4.12Å; K600-P613 PolarHBondContact NZ-O 3.46Å; K600-L615 HydrophobicContact CB-CD2 4.43Å; K600-L615 HydrophobicContact CD-CD1 4.03Å; K600-L615 HydrophobicContact CD-CD2 4.06Å; K600-L615 HydrophobicContact CD-CG 3.88Å
601	W	89.1	Confident	87.8	Confident	117 Å²	117	61.2 Å²	61.2	44%	0.443	34%	0.342	S	S	.	.	H	α-helix	trans	-66.7	-27.1	175.8	-77.8	-29.2	0	0	0	113.7	K545 I597 F598 F599	K545-W601 HydrophobicContact CB-CH2 4.39Å; K545-W601 HydrophobicContact CB-CZ2 3.98Å; K545-W601 HydrophobicContact CD-CZ2 3.93Å; I597-W601 HydrophobicContact CG2-CD2 4.13Å; I597-W601 HydrophobicContact CG2-CE3 4.05Å; I597-W601 HydrophobicContact CG2-CH2 3.95Å; I597-W601 HydrophobicContact CG2-CZ2 4.03Å; I597-W601 HydrophobicContact CG2-CZ3 3.95Å; I597-W601 PolarHBondContact O-N 3.03Å; F598-W601 AromaticContact CD1-CE3 3.79Å; F598-W601 HydrophobicContact CD1-CE3 3.79Å; F598-W601 AromaticContact CD1-CZ3 3.98Å; F598-W601 HydrophobicContact CD1-CZ3 3.98Å; F598-W601 HydrophobicContact CE1-CE3 4.08Å; F598-W601 AromaticContact CE1-CZ3 3.79Å; F598-W601 HydrophobicContact CE1-CZ3 3.79Å; F598-W601 HydrophobicContact CZ-CZ3 4.45Å; F598-W601 PolarHBondContact O-N 3.36Å; F599-W601 VanDerWaalsContact C-N 3.29Å; F599-W601 PolarHBondContact O-N 2.99Å
602	V	89.2	Confident	87.4	Confident	125 Å²	125	60.6 Å²	60.6	76%	0.758	34%	0.344	S	S	*	.	H	α-helix	trans	-94.3	-38.9	-178.5	176.5	0	0	0	0	111.9	F598 F599 K600	F598-V602 WeakPolarHBondContact O-CG2 3.32Å; F598-V602 PolarHBondContact O-N 2.79Å; F599-V602 PolarHBondContact O-N 3.25Å; F599-V602 VanDerWaalsContact O-N 3.11Å; K600-V602 VanDerWaalsContact C-N 3.28Å; K600-V602 PolarHBondContact O-N 2.89Å
603	A	86.6	Confident	87	Confident	47 Å²	47	60.6 Å²	60.6	39%	0.388	35%	0.346	S	S	.	.	H	α-helix	trans	-82.8	-31.8	-168.2	0	0	0	0	0	114.6	F599	F599-A603 HydrophobicContact CD1-CB 3.91Å; F599-A603 HydrophobicContact CE1-CB 3.51Å; F599-A603 HydrophobicContact CZ-CB 3.94Å; F599-A603 VanDerWaalsContact O-CB 3.28Å; F599-A603 WeakPolarHBondContact O-CB 3.48Å; F599-A603 PolarHBondContact O-N 2.85Å
604	Y	85.6	Confident	86.7	Confident	49 Å²	49	62.8 Å²	62.8	19%	0.192	36%	0.363	C	S	.	.			trans	-101.5	118	-173.6	-71.1	-93.6	0	0	0	111.4	K600 A612 P613 L634	K600-Y604 HydrophobicContact CG-CD2 4.12Å; Y604-A612 HydrophobicContact CD1-CB 3.69Å; Y604-A612 HydrophobicContact CE1-CB 4.13Å; Y604-A612 HydrophobicContact CG-CB 4.14Å; Y604-P613 VanDerWaalsContact CZ-CD 3.4Å; Y604-P613 WeakPolarHBondContact OH-CD 3.46Å; Y604-L634 HydrophobicContact CD2-CD1 4.32Å; Y604-L634 HydrophobicContact CE2-CD1 3.32Å; Y604-L634 HydrophobicContact CE2-CG 4.22Å
605	T	82.1	Confident	86.5	Confident	81 Å²	81	63.7 Å²	63.7	50%	0.497	37%	0.368	S	S	.	.			trans	-99.2	173.8	173.1	65.5	0	0	0	0	111.1	E607 T608 A609	T605-E607 PolarHBondContact O-N 3.27Å; T605-E607 VanDerWaalsContact O-N 3.14Å; T605-T608 PolarHBondContact N-OG1 3.43Å; T605-T608 VanDerWaalsContact N-OG1 3.13Å; T605-T608 PolarHBondContact O-N 2.96Å; T605-T608 PolarHBondContact O-OG1 3.45Å; T605-A609 PolarHBondContact O-N 3Å
606	A	80.8	Confident	86.1	Confident	34 Å²	34	64.8 Å²	64.8	28%	0.281	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-54	-29.4	176.7	0	0	0	0	0	114.1	P505 R506 A609	P505-A606 HydrophobicContact CB-CB 3.8Å; P505-A606 HydrophobicContact CG-CB 3.84Å; P505-A606 WeakPolarHBondContact O-CB 3.37Å; R506-A606 HydrophobicContact CG-CB 4.47Å; A606-A609 WeakPolarHBondContact O-CB 3.4Å
607	E	77.6	Confident	85.8	Confident	112 Å²	112	67.5 Å²	67.5	52%	0.523	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-70.5	-34.5	179.2	-62.3	-179.8	175.3	0	0	111.9	T605	T605-E607 PolarHBondContact O-N 3.27Å; T605-E607 VanDerWaalsContact O-N 3.14Å
608	T	83	Confident	85.5	Confident	52 Å²	52	68 Å²	68	32%	0.319	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-98.3	13.1	-179.2	57.6	0	0	0	0	113.6	T605 S610 S611 A612	T605-T608 PolarHBondContact N-OG1 3.43Å; T605-T608 VanDerWaalsContact N-OG1 3.13Å; T605-T608 PolarHBondContact O-N 2.96Å; T605-T608 PolarHBondContact O-OG1 3.45Å; T608-S610 PolarHBondContact O-N 3.36Å; T608-S611 PolarHBondContact O-N 3.39Å; T608-S611 VanDerWaalsContact O-N 3.13Å; T608-S611 PolarHBondContact O-OG 3.02Å; T608-S611 VanDerWaalsContact O-OG 3.05Å; T608-A612 PolarHBondContact O-N 2.95Å
609	A	81.7	Confident	85.2	Confident	66 Å²	66	64.6 Å²	64.6	55%	0.545	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-60.7	-31.9	-173.4	0	0	0	0	0	113.2	T605 A606 S611 A612	T605-A609 PolarHBondContact O-N 3Å; A606-A609 WeakPolarHBondContact O-CB 3.4Å; A609-S611 VanDerWaalsContact C-N 3.32Å; A609-S611 PolarHBondContact O-N 3.18Å; A609-A612 PolarHBondContact O-N 3.38Å
610	S	79.1	Confident	85	Confident	123 Å²	123	64.7 Å²	64.7	86%	0.86	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-69.2	-27.4	179.1	57	0	0	0	0	113.6	T608	T608-S610 PolarHBondContact O-N 3.36Å
611	S	81.6	Confident	84.9	Confident	50 Å²	50	63.6 Å²	63.6	35%	0.35	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-98.4	4.4	-178.5	61	0	0	0	0	113.4	T608 A609 P613 P632	T608-S611 PolarHBondContact O-N 3.39Å; T608-S611 VanDerWaalsContact O-N 3.13Å; T608-S611 PolarHBondContact O-OG 3.02Å; T608-S611 VanDerWaalsContact O-OG 3.05Å; A609-S611 VanDerWaalsContact C-N 3.32Å; A609-S611 PolarHBondContact O-N 3.18Å; S611-P613 VanDerWaalsContact O-CD 3.26Å; S611-P613 WeakPolarHBondContact O-CD 2.93Å; S611-P632 WeakPolarHBondContact O-CG 3.47Å
612	A	84.2	Confident	84.8	Confident	34 Å²	34	58.1 Å²	58.1	28%	0.281	36%	0.359	S	S	.	.			trans	-71	111.7	-176	0	0	0	0	0	112	Y604 T608 A609	Y604-A612 HydrophobicContact CD1-CB 3.69Å; Y604-A612 HydrophobicContact CE1-CB 4.13Å; Y604-A612 HydrophobicContact CG-CB 4.14Å; T608-A612 PolarHBondContact O-N 2.95Å; A609-A612 PolarHBondContact O-N 3.38Å
613	P	84.3	Confident	84.8	Confident	19 Å²	19	56.4 Å²	56.4	12%	0.123	35%	0.345	C	S	.	.			trans	-70.9	151.8	-173.3	29.9	-35.4	0	0	0	111.6	K600 Y604 S611 I631 L634	K600-P613 PolarHBondContact NZ-O 3.46Å; Y604-P613 VanDerWaalsContact CZ-CD 3.4Å; Y604-P613 WeakPolarHBondContact OH-CD 3.46Å; S611-P613 VanDerWaalsContact O-CD 3.26Å; S611-P613 WeakPolarHBondContact O-CD 2.93Å; P613-I631 HydrophobicContact CB-CG2 4Å; P613-L634 HydrophobicContact CG-CD1 3.53Å
614	S	87.1	Confident	84.8	Confident	67 Å²	67	62.2 Å²	62.2	47%	0.469	36%	0.357	S	S	.	.			trans	-77.5	128.6	174.3	168.9	0	0	0	0	110.8	L616 I617 G618	S614-L616 VanDerWaalsContact C-N 3.32Å; S614-L616 PolarHBondContact O-N 3.45Å; S614-I617 VanDerWaalsContact O-CG2 3.3Å; S614-I617 WeakPolarHBondContact O-CG2 3.44Å; S614-G618 PolarHBondContact O-N 3.32Å; S614-G618 VanDerWaalsContact O-N 3.14Å
615	L	88	Confident	84.8	Confident	26 Å²	26	64.8 Å²	64.8	14%	0.136	37%	0.369	C	S	.	.	H	α-helix	trans	-68.1	-33.7	-179.1	-65.2	173.7	0	0	0	111.8	L596 I597 K600 G618 L619	L596-L615 HydrophobicContact CB-CD2 3.83Å; I597-L615 HydrophobicContact CB-CD1 4.5Å; I597-L615 HydrophobicContact CG1-CD1 3.73Å; K600-L615 HydrophobicContact CB-CD2 4.43Å; K600-L615 HydrophobicContact CD-CD1 4.03Å; K600-L615 HydrophobicContact CD-CD2 4.06Å; K600-L615 HydrophobicContact CD-CG 3.88Å; L615-G618 PolarHBondContact O-N 3.5Å; L615-L619 PolarHBondContact O-N 3.01Å
616	L	86.2	Confident	85	Confident	119 Å²	119	62.7 Å²	62.7	62%	0.623	36%	0.358	S	S	*	.	H	α-helix	trans	-67.2	-49.4	-179.6	-179.4	68.2	0	0	0	111.4	S614 G618 L619 I620	S614-L616 VanDerWaalsContact C-N 3.32Å; S614-L616 PolarHBondContact O-N 3.45Å; L616-G618 VanDerWaalsContact C-N 3.26Å; L616-G618 PolarHBondContact O-N 3.35Å; L616-L619 PolarHBondContact O-N 3.37Å; L616-I620 HydrophobicContact CD1-CD1 4.42Å; L616-I620 HydrophobicContact CG-CD1 4.1Å; L616-I620 WeakPolarHBondContact O-CG1 3.49Å; L616-I620 PolarHBondContact O-N 3.06Å
617	I	86.8	Confident	84.9	Confident	67 Å²	67	63.7 Å²	63.7	34%	0.344	36%	0.355	S	S	.	.	H	α-helix	trans	-65.8	-34.1	177.4	-167.8	59	0	0	0	110.9	S614 L619 I620 N621	S614-I617 VanDerWaalsContact O-CG2 3.3Å; S614-I617 WeakPolarHBondContact O-CG2 3.44Å; I617-L619 VanDerWaalsContact C-N 3.35Å; I617-L619 PolarHBondContact O-N 2.87Å; I617-I620 PolarHBondContact O-N 3.36Å; I617-N621 VanDerWaalsContact O-CB 3.24Å; I617-N621 WeakPolarHBondContact O-CB 3.29Å; I617-N621 VanDerWaalsContact O-CG 3.24Å; I617-N621 PolarHBondContact O-N 3.08Å; I617-N621 PolarHBondContact O-ND2 3.32Å
618	G	85.4	Confident	84.7	Confident	16 Å²	16	61.3 Å²	61.3	17%	0.165	35%	0.35	C	S	.	.	H	α-helix	trans	-58.4	-43.8	171.8	0	0	0	0	0	112.8	S614 L615 L616 M622	S614-G618 PolarHBondContact O-N 3.32Å; S614-G618 VanDerWaalsContact O-N 3.14Å; L615-G618 PolarHBondContact O-N 3.5Å; L616-G618 VanDerWaalsContact C-N 3.26Å; L616-G618 PolarHBondContact O-N 3.35Å; G618-M622 WeakPolarHBondContact O-CB 3.34Å; G618-M622 PolarHBondContact O-N 3.24Å
619	L	87.6	Confident	84	Confident	31 Å²	31	66.2 Å²	66.2	16%	0.162	38%	0.375	C	S	.	.	H	α-helix	trans	-67.6	-42.6	176.6	-174.3	70.4	0	0	0	112.3	I589 L593 L615 L616 I617 M622 I623	I589-L619 HydrophobicContact CG2-CD1 4.39Å; L593-L619 HydrophobicContact CD2-CD2 4.24Å; L615-L619 PolarHBondContact O-N 3.01Å; L616-L619 PolarHBondContact O-N 3.37Å; I617-L619 VanDerWaalsContact C-N 3.35Å; I617-L619 PolarHBondContact O-N 2.87Å; L619-M622 HydrophobicContact CD1-CE 3.65Å; L619-M622 WeakPolarHBondContact O-CB 3.15Å; L619-M622 PolarHBondContact O-N 2.96Å; L619-I623 PolarHBondContact O-N 3Å
620	I	88.7	Confident	83.3	Confident	81 Å²	81	71.4 Å²	71.4	42%	0.415	39%	0.388	S	S	.	.	H	α-helix	trans	-63.5	-44	177.5	-66.3	167.1	0	0	0	110.5	L616 I617 M622 I623 R624	L616-I620 HydrophobicContact CD1-CD1 4.42Å; L616-I620 HydrophobicContact CG-CD1 4.1Å; L616-I620 WeakPolarHBondContact O-CG1 3.49Å; L616-I620 PolarHBondContact O-N 3.06Å; I617-I620 PolarHBondContact O-N 3.36Å; I620-M622 VanDerWaalsContact C-N 3.32Å; I620-M622 PolarHBondContact O-N 3.11Å; I620-I623 PolarHBondContact O-N 3.43Å; I620-R624 WeakPolarHBondContact O-CB 3.19Å; I620-R624 PolarHBondContact O-N 2.95Å
621	N	87.4	Confident	82.8	Confident	19 Å²	19	69 Å²	69	10%	0.102	36%	0.364	C	S	.	.	H	α-helix	trans	-66.3	-34	178.3	-76	-12.6	0	0	0	112.4	I617 R624 F625 S626	I617-N621 VanDerWaalsContact O-CB 3.24Å; I617-N621 WeakPolarHBondContact O-CB 3.29Å; I617-N621 VanDerWaalsContact O-CG 3.24Å; I617-N621 PolarHBondContact O-N 3.08Å; I617-N621 PolarHBondContact O-ND2 3.32Å; N621-R624 PolarHBondContact O-N 3.34Å; N621-F625 WeakPolarHBondContact O-CA 3.49Å; N621-F625 PolarHBondContact O-N 3.12Å; N621-S626 VanDerWaalsContact CB-O 3.3Å; N621-S626 WeakPolarHBondContact CB-O 3.5Å; N621-S626 VanDerWaalsContact CG-O 3.24Å; N621-S626 PolarHBondContact O-N 2.87Å; N621-S626 VanDerWaalsContact O-N 3.1Å
622	M	88.9	Confident	82.3	Confident	2 Å²	2	69.5 Å²	69.5	1%	0.01	37%	0.366	C	S	.	.	H	α-helix	trans	-59.9	-44	172.4	179.5	-176.7	89.3	0	0	111.6	I589 Y592 G618 L619 I620 Q642	I589-M622 HydrophobicContact CG2-CE 4.31Å; Y592-M622 HydrophobicContact CD1-SD 3.91Å; Y592-M622 HydrophobicContact CE1-SD 3.96Å; G618-M622 WeakPolarHBondContact O-CB 3.34Å; G618-M622 PolarHBondContact O-N 3.24Å; L619-M622 HydrophobicContact CD1-CE 3.65Å; L619-M622 WeakPolarHBondContact O-CB 3.15Å; L619-M622 PolarHBondContact O-N 2.96Å; I620-M622 VanDerWaalsContact C-N 3.32Å; I620-M622 PolarHBondContact O-N 3.11Å; M622-Q642 HydrophobicContact CG-CB 4.08Å; M622-Q642 HydrophobicContact CG-CG 4.38Å; M622-Q642 HydrophobicContact SD-CG 4.4Å
623	I	87.6	Confident	82	Confident	90 Å²	90	72 Å²	72	46%	0.462	38%	0.38	S	S	.	.	H	α-helix	trans	-73	-38.1	179.9	-63.6	167.5	0	0	0	111.4	L619 I620 F625	L619-I623 PolarHBondContact O-N 3Å; I620-I623 PolarHBondContact O-N 3.43Å; I623-F625 VanDerWaalsContact C-N 3.29Å; I623-F625 PolarHBondContact O-N 2.93Å
624	R	88.1	Confident	81.9	Confident	168 Å²	168	71.8 Å²	71.8	63%	0.634	38%	0.378	S	S	*	.	H	α-helix	trans	-79.8	-6.4	-179.5	-162	175	72.7	170.9	3	113.6	I620 N621 S626	I620-R624 WeakPolarHBondContact O-CB 3.19Å; I620-R624 PolarHBondContact O-N 2.95Å; N621-R624 PolarHBondContact O-N 3.34Å; R624-S626 PolarHBondContact NH2-OG 3.35Å; R624-S626 PolarHBondContact O-N 2.95Å
625	F	85.8	Confident	81.8	Confident	104 Å²	104	71.2 Å²	71.2	46%	0.456	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	31.4	-169	-62	-83.6	0	0	0	113.8	N621 I623 M646	N621-F625 WeakPolarHBondContact O-CA 3.49Å; N621-F625 PolarHBondContact O-N 3.12Å; I623-F625 VanDerWaalsContact C-N 3.29Å; I623-F625 PolarHBondContact O-N 2.93Å; F625-M646 HydrophobicContact CE1-CB 3.85Å; F625-M646 HydrophobicContact CE1-CG 3.86Å; F625-M646 HydrophobicContact CE2-CG 3.87Å; F625-M646 HydrophobicContact CZ-CB 3.75Å; F625-M646 HydrophobicContact CZ-CG 3.28Å
626	S	84.4	Confident	81.7	Confident	37 Å²	37	75.6 Å²	75.6	26%	0.259	40%	0.398	S	S	.	.			trans	-106.9	92.2	-174.8	173.6	0	0	0	0	110.3	N621 R624	N621-S626 VanDerWaalsContact CB-O 3.3Å; N621-S626 WeakPolarHBondContact CB-O 3.5Å; N621-S626 VanDerWaalsContact CG-O 3.24Å; N621-S626 PolarHBondContact O-N 2.87Å; N621-S626 VanDerWaalsContact O-N 3.1Å; R624-S626 PolarHBondContact NH2-OG 3.35Å; R624-S626 PolarHBondContact O-N 2.95Å
627	Y	80	Confident	81.7	Confident	55 Å²	55	72.2 Å²	72.2	22%	0.216	39%	0.392	C	S	.	.			trans	-98.9	107.4	177.6	-54.9	-75.3	0	0	0	109.2	K639 Q642	Y627-K639 HydrophobicContact CD1-CG 4.3Å; Y627-K639 HydrophobicContact CD2-CD 4.16Å; Y627-K639 HydrophobicContact CD2-CG 3.83Å; Y627-K639 HydrophobicContact CE2-CG 4.09Å; Y627-K639 HydrophobicContact CG-CD 4.17Å; Y627-K639 HydrophobicContact CG-CG 3.92Å; Y627-Q642 HydrophobicContact CE1-CB 4.31Å; Y627-Q642 VanDerWaalsContact CE1-OE1 3.3Å; Y627-Q642 WeakPolarHBondContact OH-CB 3.42Å
628	S	73	Confident	81.8	Confident	61 Å²	61	70.6 Å²	70.6	43%	0.427	38%	0.383	S	S	.	.			trans	-86.9	137.7	168.8	-175.8	0	0	0	0	109.1	E630	S628-E630 PolarHBondContact O-N 2.89Å
629	D	68.4	Low	81.8	Confident	155 Å²	155	75.8 Å²	75.8	83%	0.829	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-9.9	179.2	-64	-34.4	0	0	0	112.8	I631	D629-I631 VanDerWaalsContact C-N 3.26Å; D629-I631 PolarHBondContact O-N 2.9Å
630	E	67.5	Low	81.9	Confident	176 Å²	176	76.8 Å²	76.8	82%	0.822	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-21.2	-179.7	-65.3	-179.8	169	0	0	113.5	S628	S628-E630 PolarHBondContact O-N 2.89Å
631	I	67.2	Low	82.1	Confident	71 Å²	71	75.7 Å²	75.7	36%	0.364	41%	0.411	S	S	.	.	S	Bend	trans	-101.5	121.2	-176.7	-54.2	172.6	0	0	0	108.5	P613 D629	P613-I631 HydrophobicContact CB-CG2 4Å; D629-I631 VanDerWaalsContact C-N 3.26Å; D629-I631 PolarHBondContact O-N 2.9Å
632	P	72.4	Confident	82.3	Confident	61 Å²	61	75 Å²	75	40%	0.396	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-60.6	135	179.7	23.9	-32.8	0	0	0	110.6	S611	S611-P632 WeakPolarHBondContact O-CG 3.47Å
633	P	77.3	Confident	82.3	Confident	87 Å²	87	76.8 Å²	76.8	57%	0.565	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-65.9	142.4	176.5	28.1	-33.8	0	0	0	110.4	Y635 Q638	P633-Y635 VanDerWaalsContact C-N 3.32Å; P633-Y635 PolarHBondContact O-N 3.44Å; P633-Q638 HydrophobicContact CB-CB 4.36Å
634	L	82	Confident	82.6	Confident	15 Å²	15	77.7 Å²	77.7	8%	0.079	42%	0.424	C	S	.	.	S	Bend	trans	-65.2	-37.7	178.6	-164.3	83.3	0	0	0	111.3	L596 F599 Y604 P613	L596-L634 HydrophobicContact CB-CD2 4.33Å; L596-L634 HydrophobicContact CD2-CD2 3.44Å; L596-L634 VanDerWaalsContact CD2-CD2 3.44Å; L596-L634 HydrophobicContact CG-CD2 4.41Å; F599-L634 HydrophobicContact CD1-CD1 4.35Å; F599-L634 HydrophobicContact CD1-CD2 3.49Å; F599-L634 VanDerWaalsContact CD1-CD2 3.49Å; F599-L634 HydrophobicContact CD1-CG 3.6Å; F599-L634 HydrophobicContact CE1-CD2 4.09Å; F599-L634 HydrophobicContact CE1-CG 3.72Å; F599-L634 VanDerWaalsContact CE1-O 3.25Å; F599-L634 WeakPolarHBondContact CE1-O 3.46Å; F599-L634 HydrophobicContact CG-CD2 4.29Å; Y604-L634 HydrophobicContact CD2-CD1 4.32Å; Y604-L634 HydrophobicContact CE2-CD1 3.32Å; Y604-L634 HydrophobicContact CE2-CG 4.22Å; P613-L634 HydrophobicContact CG-CD1 3.53Å
635	Y	86.5	Confident	82.8	Confident	55 Å²	55	71.6 Å²	71.6	22%	0.216	40%	0.404	C	S	.	.	S	Bend	trans	-149.1	161.1	177.8	61.8	-87.9	0	0	0	110.3	Y592 L596 P633 G637 Q638 V641	Y592-Y635 WeakPolarHBondContact CE2-OH 3.38Å; Y592-Y635 PolarHBondContact OH-OH 3.46Å; L596-Y635 HydrophobicContact CD2-CE1 3.9Å; P633-Y635 VanDerWaalsContact C-N 3.32Å; P633-Y635 PolarHBondContact O-N 3.44Å; Y635-G637 PolarHBondContact O-N 3.41Å; Y635-Q638 HydrophobicContact CD1-CB 4.4Å; Y635-Q638 HydrophobicContact CD2-CB 4.43Å; Y635-Q638 HydrophobicContact CE1-CB 4.09Å; Y635-Q638 HydrophobicContact CE1-CG 3.96Å; Y635-Q638 HydrophobicContact CE2-CB 4.13Å; Y635-Q638 WeakPolarHBondContact O-CB 3.32Å; Y635-Q638 PolarHBondContact O-N 3.1Å; Y635-V641 HydrophobicContact CE2-CB 4.4Å; Y635-V641 HydrophobicContact CE2-CG2 4.15Å; Y635-V641 WeakPolarHBondContact OH-CB 3.46Å; Y635-V641 WeakPolarHBondContact OH-CG1 3.38Å
636	S	85.9	Confident	83.1	Confident	117 Å²	117	67.9 Å²	67.9	82%	0.818	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	130.8	-180	52.5	0	0	0	0	111.5
637	G	85.5	Confident	83.5	Confident	48 Å²	48	69.8 Å²	69.8	50%	0.495	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	14	179.6	0	0	0	0	0	115.6	Y635 K639 A640 V641	Y635-G637 PolarHBondContact O-N 3.41Å; G637-K639 VanDerWaalsContact C-N 3.31Å; G637-K639 PolarHBondContact O-N 2.79Å; G637-A640 PolarHBondContact O-N 3.45Å; G637-A640 VanDerWaalsContact O-N 3.11Å; G637-V641 PolarHBondContact O-N 3.11Å; G637-V641 VanDerWaalsContact O-N 3.16Å
638	Q	87.7	Confident	84.2	Confident	33 Å²	33	69.6 Å²	69.6	15%	0.154	40%	0.403	C	S	.	.	H	α-helix	trans	-49.8	-46.2	179.3	-179.6	-177.1	-9.5	0	0	113.5	P633 Y635 A640 V641 Q642	P633-Q638 HydrophobicContact CB-CB 4.36Å; Y635-Q638 HydrophobicContact CD1-CB 4.4Å; Y635-Q638 HydrophobicContact CD2-CB 4.43Å; Y635-Q638 HydrophobicContact CE1-CB 4.09Å; Y635-Q638 HydrophobicContact CE1-CG 3.96Å; Y635-Q638 HydrophobicContact CE2-CB 4.13Å; Y635-Q638 WeakPolarHBondContact O-CB 3.32Å; Y635-Q638 PolarHBondContact O-N 3.1Å; Q638-A640 VanDerWaalsContact C-N 3.33Å; Q638-A640 PolarHBondContact O-N 3.44Å; Q638-V641 PolarHBondContact O-N 3.44Å; Q638-Q642 HydrophobicContact CG-CG 4.12Å; Q638-Q642 WeakPolarHBondContact O-CB 3.43Å; Q638-Q642 WeakPolarHBondContact O-CG 3.5Å; Q638-Q642 PolarHBondContact O-N 2.92Å
639	K	86.8	Confident	85.1	Confident	126 Å²	126	66.8 Å²	66.8	55%	0.548	38%	0.383	S	S	.	.	H	α-helix	trans	-56.9	-45.2	179.7	-178.8	176	179.9	175.8	0	112.2	Y627 G637 S643	Y627-K639 HydrophobicContact CD1-CG 4.3Å; Y627-K639 HydrophobicContact CD2-CD 4.16Å; Y627-K639 HydrophobicContact CD2-CG 3.83Å; Y627-K639 HydrophobicContact CE2-CG 4.09Å; Y627-K639 HydrophobicContact CG-CD 4.17Å; Y627-K639 HydrophobicContact CG-CG 3.92Å; G637-K639 VanDerWaalsContact C-N 3.31Å; G637-K639 PolarHBondContact O-N 2.79Å; K639-S643 WeakPolarHBondContact O-CB 3.41Å; K639-S643 PolarHBondContact O-N 3.48Å; K639-S643 PolarHBondContact O-OG 3.26Å
640	A	90.1	Very high	86.3	Confident	52 Å²	52	63.2 Å²	63.2	43%	0.43	37%	0.367	S	S	.	.	H	α-helix	trans	-64.4	-50.1	179.7	0	0	0	0	0	110.9	G637 Q638 Q642 S643 I644	G637-A640 PolarHBondContact O-N 3.45Å; G637-A640 VanDerWaalsContact O-N 3.11Å; Q638-A640 VanDerWaalsContact C-N 3.33Å; Q638-A640 PolarHBondContact O-N 3.44Å; A640-Q642 PolarHBondContact O-N 3.02Å; A640-S643 PolarHBondContact O-N 2.79Å; A640-S643 PolarHBondContact O-OG 3.33Å; A640-I644 VanDerWaalsContact O-CG1 3.31Å; A640-I644 WeakPolarHBondContact O-CG1 3.37Å; A640-I644 PolarHBondContact O-N 3.39Å
641	V	91.8	Very high	87.5	Confident	58 Å²	58	59.6 Å²	59.6	35%	0.352	35%	0.352	S	S	.	.	H	α-helix	trans	-59.6	-47.2	179.6	176.3	0	0	0	0	111.4	Y592 Y635 G637 Q638 S643 I644 L645	Y592-V641 HydrophobicContact CE2-CG1 4.38Å; Y635-V641 HydrophobicContact CE2-CB 4.4Å; Y635-V641 HydrophobicContact CE2-CG2 4.15Å; Y635-V641 WeakPolarHBondContact OH-CB 3.46Å; Y635-V641 WeakPolarHBondContact OH-CG1 3.38Å; G637-V641 PolarHBondContact O-N 3.11Å; G637-V641 VanDerWaalsContact O-N 3.16Å; Q638-V641 PolarHBondContact O-N 3.44Å; V641-S643 PolarHBondContact O-N 3.43Å; V641-I644 PolarHBondContact O-N 3.21Å; V641-L645 HydrophobicContact CG1-CD1 3.83Å; V641-L645 HydrophobicContact CG1-CG 4.27Å; V641-L645 WeakPolarHBondContact O-CB 3.31Å; V641-L645 VanDerWaalsContact O-CG 3.28Å; V641-L645 WeakPolarHBondContact O-CG 3.43Å; V641-L645 PolarHBondContact O-N 3.27Å
642	Q	91.1	Very high	88.7	Confident	4 Å²	4	56.3 Å²	56.3	2%	0.019	34%	0.336	C	S	.	.	H	α-helix	trans	-63.2	-40.7	179.8	-73	-172.2	-12.2	0	0	112.5	Y592 M622 Y627 Q638 A640 M646	Y592-Q642 HydrophobicContact CE1-CG 3.8Å; Y592-Q642 WeakPolarHBondContact OH-CG 3.33Å; Y592-Q642 PolarHBondContact OH-NE2 3.25Å; M622-Q642 HydrophobicContact CG-CB 4.08Å; M622-Q642 HydrophobicContact CG-CG 4.38Å; M622-Q642 HydrophobicContact SD-CG 4.4Å; Y627-Q642 HydrophobicContact CE1-CB 4.31Å; Y627-Q642 VanDerWaalsContact CE1-OE1 3.3Å; Y627-Q642 WeakPolarHBondContact OH-CB 3.42Å; Q638-Q642 HydrophobicContact CG-CG 4.12Å; Q638-Q642 WeakPolarHBondContact O-CB 3.43Å; Q638-Q642 WeakPolarHBondContact O-CG 3.5Å; Q638-Q642 PolarHBondContact O-N 2.92Å; A640-Q642 PolarHBondContact O-N 3.02Å; Q642-M646 WeakPolarHBondContact O-CB 3.48Å; Q642-M646 PolarHBondContact O-N 3.13Å
643	S	90.5	Very high	89.7	Confident	40 Å²	40	55.9 Å²	55.9	28%	0.28	33%	0.332	S	S	.	.	H	α-helix	trans	-64.1	-42.8	176.1	69.2	0	0	0	0	112.4	K639 A640 V641 M646 V647	K639-S643 WeakPolarHBondContact O-CB 3.41Å; K639-S643 PolarHBondContact O-N 3.48Å; K639-S643 PolarHBondContact O-OG 3.26Å; A640-S643 PolarHBondContact O-N 2.79Å; A640-S643 PolarHBondContact O-OG 3.33Å; V641-S643 PolarHBondContact O-N 3.43Å; S643-M646 PolarHBondContact O-N 3.46Å; S643-V647 VanDerWaalsContact O-CG2 3.29Å; S643-V647 WeakPolarHBondContact O-CG2 3.46Å; S643-V647 PolarHBondContact O-N 2.82Å
644	I	93.1	Very high	90.5	Very high	108 Å²	108	55 Å²	55	55%	0.554	33%	0.326	S	S	*	.	H	α-helix	trans	-64.9	-47.6	178.5	-67.4	165.4	0	0	0	110.5	A640 V641 M646 V647 V648	A640-I644 VanDerWaalsContact O-CG1 3.31Å; A640-I644 WeakPolarHBondContact O-CG1 3.37Å; A640-I644 PolarHBondContact O-N 3.39Å; V641-I644 PolarHBondContact O-N 3.21Å; I644-M646 VanDerWaalsContact C-N 3.29Å; I644-M646 PolarHBondContact O-N 3.47Å; I644-V647 PolarHBondContact O-N 3.1Å; I644-V648 HydrophobicContact CG2-CG2 4.42Å; I644-V648 WeakPolarHBondContact O-CG2 3.35Å; I644-V648 PolarHBondContact O-N 3.47Å
645	L	92.9	Very high	91.1	Very high	40 Å²	40	58.9 Å²	58.9	21%	0.209	34%	0.34	C	S	.	.	H	α-helix	trans	-58.9	-41.5	178.8	-71.3	174	0	0	0	111.8	C588 Y592 V641 V648 A649	C588-L645 HydrophobicContact CB-CB 4.25Å; C588-L645 HydrophobicContact CB-CD2 4.22Å; Y592-L645 HydrophobicContact CD1-CD1 4.24Å; Y592-L645 HydrophobicContact CD2-CD1 3.61Å; Y592-L645 HydrophobicContact CE2-CD1 4Å; Y592-L645 HydrophobicContact CG-CD1 3.74Å; V641-L645 HydrophobicContact CG1-CD1 3.83Å; V641-L645 HydrophobicContact CG1-CG 4.27Å; V641-L645 WeakPolarHBondContact O-CB 3.31Å; V641-L645 VanDerWaalsContact O-CG 3.28Å; V641-L645 WeakPolarHBondContact O-CG 3.43Å; V641-L645 PolarHBondContact O-N 3.27Å; L645-V648 PolarHBondContact O-N 3.21Å; L645-A649 WeakPolarHBondContact O-CB 3.31Å; L645-A649 PolarHBondContact O-N 3.45Å
646	M	91.8	Very high	91.3	Very high	27 Å²	27	56.4 Å²	56.4	13%	0.133	33%	0.33	C	S	.	.	H	α-helix	trans	-69.6	-39.5	178.7	-169.1	59.4	-164.1	0	0	112.1	F625 Q642 S643 I644 V648 A649 V650	F625-M646 HydrophobicContact CE1-CB 3.85Å; F625-M646 HydrophobicContact CE1-CG 3.86Å; F625-M646 HydrophobicContact CE2-CG 3.87Å; F625-M646 HydrophobicContact CZ-CB 3.75Å; F625-M646 HydrophobicContact CZ-CG 3.28Å; Q642-M646 WeakPolarHBondContact O-CB 3.48Å; Q642-M646 PolarHBondContact O-N 3.13Å; S643-M646 PolarHBondContact O-N 3.46Å; I644-M646 VanDerWaalsContact C-N 3.29Å; I644-M646 PolarHBondContact O-N 3.47Å; M646-V648 VanDerWaalsContact C-N 3.35Å; M646-V648 PolarHBondContact O-N 3.31Å; M646-A649 PolarHBondContact O-N 3.12Å; M646-V650 HydrophobicContact CE-CG2 3.93Å; M646-V650 WeakPolarHBondContact O-CG2 3.48Å; M646-V650 PolarHBondContact O-N 2.74Å
647	V	93.1	Very high	91.5	Very high	76 Å²	76	52.9 Å²	52.9	46%	0.461	30%	0.302	S	S	.	.	H	α-helix	trans	-62	-43.4	174.1	170.5	0	0	0	0	111.1	S643 I644 A649 V650 I651	S643-V647 VanDerWaalsContact O-CG2 3.29Å; S643-V647 WeakPolarHBondContact O-CG2 3.46Å; S643-V647 PolarHBondContact O-N 2.82Å; I644-V647 PolarHBondContact O-N 3.1Å; V647-A649 PolarHBondContact O-N 3.07Å; V647-V650 PolarHBondContact O-N 2.73Å; V647-I651 HydrophobicContact CG1-CD1 3.81Å; V647-I651 WeakPolarHBondContact O-CG1 3.37Å; V647-I651 PolarHBondContact O-N 3.05Å
648	V	93.8	Very high	91.8	Very high	52 Å²	52	54 Å²	54	32%	0.315	30%	0.296	S	S	.	.	H	α-helix	trans	-60.3	-46.1	174.8	172.6	0	0	0	0	110.6	I644 L645 M646 V650 I651 C652	I644-V648 HydrophobicContact CG2-CG2 4.42Å; I644-V648 WeakPolarHBondContact O-CG2 3.35Å; I644-V648 PolarHBondContact O-N 3.47Å; L645-V648 PolarHBondContact O-N 3.21Å; M646-V648 VanDerWaalsContact C-N 3.35Å; M646-V648 PolarHBondContact O-N 3.31Å; V648-V650 VanDerWaalsContact C-N 3.32Å; V648-V650 PolarHBondContact O-N 3.18Å; V648-I651 PolarHBondContact O-N 3.39Å; V648-C652 PolarHBondContact O-N 3.27Å; V648-C652 PolarHBondContact O-SG 3.38Å
649	A	92.2	Very high	91.8	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.008	30%	0.295	C	S	.	.	H	α-helix	trans	-60.2	-39.7	178	0	0	0	0	0	112.6	F585 C588 I589 L645 M646 V647 C652	F585-A649 HydrophobicContact CD2-CB 4.14Å; F585-A649 HydrophobicContact CE2-CB 4.43Å; C588-A649 HydrophobicContact CB-CB 4.2Å; I589-A649 HydrophobicContact CD1-CB 4.39Å; I589-A649 HydrophobicContact CG1-CB 4.35Å; L645-A649 WeakPolarHBondContact O-CB 3.31Å; L645-A649 PolarHBondContact O-N 3.45Å; M646-A649 PolarHBondContact O-N 3.12Å; V647-A649 PolarHBondContact O-N 3.07Å; A649-C652 PolarHBondContact O-N 2.95Å
650	V	92.5	Very high	91.9	Very high	80 Å²	80	49.5 Å²	49.5	49%	0.485	28%	0.278	S	S	.	.	H	α-helix	trans	-66.7	-41.4	176.3	173	0	0	0	0	111.4	M646 V647 V648 C652 V653 P654	M646-V650 HydrophobicContact CE-CG2 3.93Å; M646-V650 WeakPolarHBondContact O-CG2 3.48Å; M646-V650 PolarHBondContact O-N 2.74Å; V647-V650 PolarHBondContact O-N 2.73Å; V648-V650 VanDerWaalsContact C-N 3.32Å; V648-V650 PolarHBondContact O-N 3.18Å; V650-C652 VanDerWaalsContact C-N 3.3Å; V650-C652 PolarHBondContact O-N 3.21Å; V650-V653 PolarHBondContact O-N 3.06Å; V650-P654 WeakPolarHBondContact O-CD 3.27Å
651	I	94	Very high	91.9	Very high	100 Å²	100	47 Å²	47	51%	0.513	26%	0.258	S	S	.	.	H	α-helix	trans	-65.9	-32.5	178	-68.7	167.5	0	0	0	111.7	V647 V648 V653 P654 W655	V647-I651 HydrophobicContact CG1-CD1 3.81Å; V647-I651 WeakPolarHBondContact O-CG1 3.37Å; V647-I651 PolarHBondContact O-N 3.05Å; V648-I651 PolarHBondContact O-N 3.39Å; I651-V653 PolarHBondContact O-N 2.9Å; I651-P654 WeakPolarHBondContact O-CD 3.36Å; I651-W655 WeakPolarHBondContact O-CB 3.31Å; I651-W655 PolarHBondContact O-N 3.49Å
652	C	92.9	Very high	91.8	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.02	26%	0.258	C	S	.	.	H	α-helix	trans	-60.7	-28.2	176.7	-70.2	0	0	0	0	113.3	P581 F585 V648 A649 V650 W655 M656	P581-C652 HydrophobicContact CB-CB 4.33Å; F585-C652 HydrophobicContact CB-CB 4.28Å; V648-C652 PolarHBondContact O-N 3.27Å; V648-C652 PolarHBondContact O-SG 3.38Å; A649-C652 PolarHBondContact O-N 2.95Å; V650-C652 VanDerWaalsContact C-N 3.3Å; V650-C652 PolarHBondContact O-N 3.21Å; C652-W655 PolarHBondContact O-N 3.44Å; C652-M656 WeakPolarHBondContact O-CB 3.49Å; C652-M656 PolarHBondContact O-N 3.5Å
653	V	92.5	Very high	91.8	Very high	52 Å²	52	50.1 Å²	50.1	32%	0.315	27%	0.272	S	S	.	.	H	α-helix	trans	-69.2	-55.4	-177.7	177.8	0	0	0	0	111.8	F585 V650 I651 W655 M656 L657 T756	F585-V653 HydrophobicContact CD2-CG2 4.42Å; F585-V653 HydrophobicContact CE2-CG2 4.14Å; V650-V653 PolarHBondContact O-N 3.06Å; I651-V653 PolarHBondContact O-N 2.9Å; V653-W655 VanDerWaalsContact C-N 3.25Å; V653-W655 PolarHBondContact O-N 2.93Å; V653-M656 PolarHBondContact O-N 3.49Å; V653-L657 WeakPolarHBondContact O-CB 3.41Å; V653-L657 PolarHBondContact O-N 2.98Å; V653-L657 VanDerWaalsContact O-N 3.12Å; V653-T756 HydrophobicContact CG1-CG2 4.36Å
654	P	93.3	Very high	91.7	Very high	68 Å²	68	50.5 Å²	50.5	44%	0.442	27%	0.27	S	S	.	.	H	α-helix	trans	-60.4	-33.8	171.9	-24.2	33.7	0	0	0	113.3	V650 I651 L657 L658	V650-P654 WeakPolarHBondContact O-CD 3.27Å; I651-P654 WeakPolarHBondContact O-CD 3.36Å; P654-L657 PolarHBondContact O-N 3.39Å; P654-L658 WeakPolarHBondContact O-CB 3.16Å; P654-L658 PolarHBondContact O-N 2.88Å
655	W	94.4	Very high	91.4	Very high	97 Å²	97	49.9 Å²	49.9	37%	0.367	26%	0.261	S	S	.	.	H	α-helix	trans	-59.9	-51.3	177.5	-173.3	-3.2	0	0	0	110.7	L580 P581 L584 I651 C652 V653 L657 S659	L580-W655 HydrophobicContact CD2-CH2 3.17Å; L580-W655 HydrophobicContact CD2-CZ2 3.72Å; L580-W655 HydrophobicContact CD2-CZ3 3.79Å; P581-W655 HydrophobicContact CG-CB 4.44Å; P581-W655 HydrophobicContact CG-CD2 3.64Å; P581-W655 HydrophobicContact CG-CE3 4.05Å; P581-W655 HydrophobicContact CG-CG 3.81Å; P581-W655 HydrophobicContact CG-CZ2 4.42Å; L584-W655 HydrophobicContact CD1-CZ3 4.23Å; I651-W655 WeakPolarHBondContact O-CB 3.31Å; I651-W655 PolarHBondContact O-N 3.49Å; C652-W655 PolarHBondContact O-N 3.44Å; V653-W655 VanDerWaalsContact C-N 3.25Å; V653-W655 PolarHBondContact O-N 2.93Å; W655-L657 VanDerWaalsContact C-N 3.33Å; W655-L657 PolarHBondContact O-N 2.94Å; W655-S659 WeakPolarHBondContact O-CB 3.46Å; W655-S659 PolarHBondContact O-N 3.44Å; W655-S659 VanDerWaalsContact O-N 3.11Å; W655-S659 PolarHBondContact O-OG 3.26Å
656	M	91.1	Very high	91.3	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.015	28%	0.281	C	S	.	.	H	α-helix	trans	-64.1	-37	178.5	-177.7	166	54.6	0	0	112.5	L578 P581 Q582 C652 V653 Q752 T756 F759	L578-M656 HydrophobicContact CD1-CG 3.71Å; L578-M656 HydrophobicContact CD1-SD 3.88Å; P581-M656 HydrophobicContact CB-CB 4.22Å; Q582-M656 HydrophobicContact CG-SD 3.73Å; C652-M656 WeakPolarHBondContact O-CB 3.49Å; C652-M656 PolarHBondContact O-N 3.5Å; V653-M656 PolarHBondContact O-N 3.49Å; M656-Q752 PolarHBondContact O-NE2 2.91Å; M656-T756 HydrophobicContact CB-CG2 4.24Å; M656-T756 HydrophobicContact CE-CG2 3.45Å; M656-T756 VanDerWaalsContact CE-CG2 3.45Å; M656-T756 HydrophobicContact CG-CG2 4.16Å; M656-F759 HydrophobicContact CE-CB 4.28Å; M656-F759 HydrophobicContact CE-CD1 3.88Å; M656-F759 HydrophobicContact CE-CG 4.41Å; M656-F759 HydrophobicContact SD-CD1 4.28Å
657	L	91.3	Very high	91.2	Very high	42 Å²	42	59.6 Å²	59.6	22%	0.22	30%	0.301	C	S	.	.	H	α-helix	trans	-72.3	-45.3	-177.1	-169.9	143.7	0	0	0	112.9	V653 P654 W655 P661 M749 Q752 T756	V653-L657 WeakPolarHBondContact O-CB 3.41Å; V653-L657 PolarHBondContact O-N 2.98Å; V653-L657 VanDerWaalsContact O-N 3.12Å; P654-L657 PolarHBondContact O-N 3.39Å; W655-L657 VanDerWaalsContact C-N 3.33Å; W655-L657 PolarHBondContact O-N 2.94Å; L657-P661 VanDerWaalsContact O-CG 3.27Å; L657-P661 WeakPolarHBondContact O-CG 3.45Å; L657-M749 HydrophobicContact CD2-CE 3.47Å; L657-M749 VanDerWaalsContact CD2-CE 3.47Å; L657-M749 HydrophobicContact CG-CE 4.5Å; L657-Q752 WeakPolarHBondContact O-CG 3.28Å; L657-T756 HydrophobicContact CB-CG2 4.04Å; L657-T756 HydrophobicContact CD1-CG2 4.41Å
658	L	90.7	Very high	90.8	Very high	73 Å²	73	59 Å²	59	38%	0.382	29%	0.293	S	S	.	.	H	α-helix	trans	-98.1	-32.3	-168.7	-66.8	172.3	0	0	0	114.2	P654 K660 P661 L662 M749	P654-L658 WeakPolarHBondContact O-CB 3.16Å; P654-L658 PolarHBondContact O-N 2.88Å; L658-K660 PolarHBondContact O-N 3.17Å; L658-P661 WeakPolarHBondContact O-CD 3.47Å; L658-P661 WeakPolarHBondContact O-CG 3.4Å; L658-L662 HydrophobicContact CB-CD1 3.88Å; L658-L662 HydrophobicContact CB-CG 4.49Å; L658-L662 HydrophobicContact CD2-CD1 4.48Å; L658-L662 VanDerWaalsContact O-CB 3.22Å; L658-L662 WeakPolarHBondContact O-CB 3.45Å; L658-L662 WeakPolarHBondContact O-CG 3.29Å; L658-L662 PolarHBondContact O-N 3.36Å; L658-L662 VanDerWaalsContact O-N 3.09Å; L658-M749 HydrophobicContact CD2-CE 3.91Å
659	S	89.1	Confident	90.5	Very high	18 Å²	18	64.5 Å²	64.5	13%	0.126	31%	0.308	C	S	.	.	H	α-helix	trans	-61.4	-51	-167.5	57.5	0	0	0	0	113.5	C577 W655 I663	C577-S659 VanDerWaalsContact CB-OG 3.26Å; C577-S659 WeakPolarHBondContact CB-OG 3.46Å; W655-S659 WeakPolarHBondContact O-CB 3.46Å; W655-S659 PolarHBondContact O-N 3.44Å; W655-S659 VanDerWaalsContact O-N 3.11Å; W655-S659 PolarHBondContact O-OG 3.26Å; S659-I663 WeakPolarHBondContact O-CB 3.34Å; S659-I663 WeakPolarHBondContact O-CD1 3.22Å; S659-I663 WeakPolarHBondContact O-CG1 3.43Å; S659-I663 PolarHBondContact O-N 3.02Å
660	K	88.9	Confident	90.3	Very high	45 Å²	45	66.9 Å²	66.9	20%	0.196	33%	0.328	C	S	.	.	H	α-helix	trans	-62.5	-55.4	-178.7	-172.7	172.4	178.4	171.3	0	113	L573 S574 C577 L658 L662 I663 L664	L573-K660 HydrophobicContact CD2-CG 4.15Å; S574-K660 PolarHBondContact OG-NZ 3.5Å; C577-K660 HydrophobicContact CB-CB 3.98Å; L658-K660 PolarHBondContact O-N 3.17Å; K660-L662 VanDerWaalsContact C-N 3.35Å; K660-L662 PolarHBondContact O-N 3.35Å; K660-I663 PolarHBondContact O-N 3.25Å; K660-L664 HydrophobicContact CG-CD1 4.08Å; K660-L664 WeakPolarHBondContact O-CG 3.32Å; K660-L664 PolarHBondContact O-N 3.39Å
661	P	89.6	Confident	89.9	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-62.7	-40.3	-179.2	21.9	-32	0	0	0	112.1	L657 L658 L664 Y665 F745 I748 M749 Q752	L657-P661 VanDerWaalsContact O-CG 3.27Å; L657-P661 WeakPolarHBondContact O-CG 3.45Å; L658-P661 WeakPolarHBondContact O-CD 3.47Å; L658-P661 WeakPolarHBondContact O-CG 3.4Å; P661-L664 PolarHBondContact O-N 3.06Å; P661-Y665 VanDerWaalsContact O-CB 3.31Å; P661-Y665 WeakPolarHBondContact O-CB 3.4Å; P661-Y665 PolarHBondContact O-N 3.38Å; P661-F745 HydrophobicContact CB-CE2 3.94Å; P661-I748 HydrophobicContact CB-CG2 4.13Å; P661-M749 HydrophobicContact CB-SD 4.16Å; P661-M749 HydrophobicContact CG-SD 3.78Å; P661-Q752 HydrophobicContact CG-CG 4.44Å
662	L	90.2	Very high	89.3	Confident	68 Å²	68	67.1 Å²	67.1	36%	0.356	33%	0.326	S	S	.	.	H	α-helix	trans	-66.3	-42.6	179	-69.3	178.1	0	0	0	112.3	L658 K660 Y665 M666 F745	L658-L662 HydrophobicContact CB-CD1 3.88Å; L658-L662 HydrophobicContact CB-CG 4.49Å; L658-L662 HydrophobicContact CD2-CD1 4.48Å; L658-L662 VanDerWaalsContact O-CB 3.22Å; L658-L662 WeakPolarHBondContact O-CB 3.45Å; L658-L662 WeakPolarHBondContact O-CG 3.29Å; L658-L662 PolarHBondContact O-N 3.36Å; L658-L662 VanDerWaalsContact O-N 3.09Å; K660-L662 VanDerWaalsContact C-N 3.35Å; K660-L662 PolarHBondContact O-N 3.35Å; L662-Y665 PolarHBondContact O-N 3.14Å; L662-M666 WeakPolarHBondContact O-CB 3.34Å; L662-M666 VanDerWaalsContact O-CG 3.28Å; L662-M666 WeakPolarHBondContact O-CG 3.16Å; L662-M666 PolarHBondContact O-N 3.25Å; L662-F745 HydrophobicContact CD2-CZ 4.35Å
663	I	89.9	Confident	88.7	Confident	60 Å²	60	74.8 Å²	74.8	31%	0.308	36%	0.359	S	S	.	.	H	α-helix	trans	-65.5	-41.1	177.8	-68.2	164.8	0	0	0	110.8	L573 S659 K660 M666 R667	L573-I663 HydrophobicContact CD1-CB 4.04Å; L573-I663 HydrophobicContact CD1-CD1 3.88Å; L573-I663 HydrophobicContact CD1-CG2 3.57Å; L573-I663 HydrophobicContact CD2-CG2 4.5Å; S659-I663 WeakPolarHBondContact O-CB 3.34Å; S659-I663 WeakPolarHBondContact O-CD1 3.22Å; S659-I663 WeakPolarHBondContact O-CG1 3.43Å; S659-I663 PolarHBondContact O-N 3.02Å; K660-I663 PolarHBondContact O-N 3.25Å; I663-M666 PolarHBondContact O-N 3.37Å; I663-R667 WeakPolarHBondContact O-CG 3.46Å; I663-R667 PolarHBondContact O-N 3.42Å
664	L	87.9	Confident	87.8	Confident	47 Å²	47	78 Å²	78	25%	0.246	37%	0.374	C	S	.	.	H	α-helix	trans	-63.8	-42	175.5	-71.5	172.8	0	0	0	111.8	L573 K660 P661 R667 H668 F743 I748	L573-L664 HydrophobicContact CD2-CD1 4.39Å; L573-L664 HydrophobicContact CD2-CD2 3.69Å; L573-L664 HydrophobicContact CD2-CG 3.78Å; K660-L664 HydrophobicContact CG-CD1 4.08Å; K660-L664 WeakPolarHBondContact O-CG 3.32Å; K660-L664 PolarHBondContact O-N 3.39Å; P661-L664 PolarHBondContact O-N 3.06Å; L664-R667 PolarHBondContact O-N 3.07Å; L664-H668 WeakPolarHBondContact O-CB 2.89Å; L664-H668 PolarHBondContact O-N 2.88Å; L664-F743 HydrophobicContact CB-CE2 3.79Å; L664-F743 HydrophobicContact CB-CZ 3.86Å; L664-I748 HydrophobicContact CD1-CG2 4.32Å
665	Y	88.5	Confident	86.3	Confident	95 Å²	95	83 Å²	83	37%	0.373	38%	0.384	S	S	.	.	H	α-helix	trans	-61.1	-45	174.5	177	-99.5	0	0	0	112.1	P661 L662 R667 H668 R669 F743 F745	P661-Y665 VanDerWaalsContact O-CB 3.31Å; P661-Y665 WeakPolarHBondContact O-CB 3.4Å; P661-Y665 PolarHBondContact O-N 3.38Å; L662-Y665 PolarHBondContact O-N 3.14Å; Y665-R667 PolarHBondContact O-N 3.3Å; Y665-H668 PolarHBondContact O-N 3.01Å; Y665-R669 WeakPolarHBondContact O-CB 3.47Å; Y665-R669 PolarHBondContact O-N 3.27Å; Y665-F743 HydrophobicContact CD2-CE1 4.15Å; Y665-F745 HydrophobicContact CD2-CB 4.4Å; Y665-F745 AromaticContact CD2-CD2 3.88Å; Y665-F745 HydrophobicContact CD2-CD2 3.88Å; Y665-F745 HydrophobicContact CD2-CE2 4.38Å; Y665-F745 HydrophobicContact CD2-CG 4.14Å; Y665-F745 HydrophobicContact CG-CD2 4.07Å; Y665-F745 HydrophobicContact CG-CE2 4.18Å
666	M	89.5	Confident	84.4	Confident	125 Å²	125	86.7 Å²	86.7	62%	0.616	41%	0.405	S	S	*	.	H	α-helix	trans	-63.1	-41.3	176.6	-71.3	-176.9	-174.2	0	0	111.9	L662 I663 R669 A670	L662-M666 WeakPolarHBondContact O-CB 3.34Å; L662-M666 VanDerWaalsContact O-CG 3.28Å; L662-M666 WeakPolarHBondContact O-CG 3.16Å; L662-M666 PolarHBondContact O-N 3.25Å; I663-M666 PolarHBondContact O-N 3.37Å; M666-R669 PolarHBondContact O-N 3.5Å; M666-A670 WeakPolarHBondContact O-CB 3.46Å; M666-A670 PolarHBondContact O-N 3.09Å
667	R	89.4	Confident	82.5	Confident	146 Å²	146	96.7 Å²	96.7	55%	0.551	44%	0.444	S	S	*	.	H	α-helix	trans	-63.2	-45.5	174.7	-76.4	-178.4	179.5	-174.3	0.6	111.7	I663 L664 Y665 R669 A670 I671	I663-R667 WeakPolarHBondContact O-CG 3.46Å; I663-R667 PolarHBondContact O-N 3.42Å; L664-R667 PolarHBondContact O-N 3.07Å; Y665-R667 PolarHBondContact O-N 3.3Å; R667-R669 PolarHBondContact O-N 2.88Å; R667-A670 PolarHBondContact O-N 2.69Å; R667-I671 VanDerWaalsContact O-CG1 3.31Å; R667-I671 WeakPolarHBondContact O-CG1 3.29Å; R667-I671 PolarHBondContact O-N 3.4Å
668	H	85.8	Confident	80.4	Confident	65 Å²	65	99.8 Å²	99.8	30%	0.301	46%	0.464	S	S	.	.	H	α-helix	trans	-61.7	-44.5	177.5	-175.3	-101.4	0	0	0	111.5	L664 Y665 A670 I671 L672 F743	L664-H668 WeakPolarHBondContact O-CB 2.89Å; L664-H668 PolarHBondContact O-N 2.88Å; Y665-H668 PolarHBondContact O-N 3.01Å; H668-A670 VanDerWaalsContact C-N 3.34Å; H668-A670 PolarHBondContact O-N 3.46Å; H668-I671 PolarHBondContact O-N 3.1Å; H668-L672 VanDerWaalsContact CE1-CD1 3.43Å; H668-L672 WeakPolarHBondContact CE1-CD1 3.16Å; H668-L672 WeakPolarHBondContact O-CG 3.39Å; H668-L672 PolarHBondContact O-N 3.36Å; H668-F743 HydrophobicContact CB-CD1 4.02Å; H668-F743 HydrophobicContact CB-CE1 4.25Å; H668-F743 HydrophobicContact CB-CG 4.17Å; H668-F743 AromaticContact CD2-CG 3.88Å; H668-F743 AromaticContact CG-CD1 3.78Å; H668-F743 AromaticContact CG-CG 3.81Å; H668-F743 AromaticContact ND1-CD1 3.82Å
669	R	86.3	Confident	77.6	Confident	166 Å²	166	101.5 Å²	101.5	63%	0.626	47%	0.474	S	S	*	.	H	α-helix	trans	-63.6	-37.5	175.9	-169.5	175.6	179.9	-178.1	0.1	112.5	Y665 M666 R667 L672 K673	Y665-R669 WeakPolarHBondContact O-CB 3.47Å; Y665-R669 PolarHBondContact O-N 3.27Å; M666-R669 PolarHBondContact O-N 3.5Å; R667-R669 PolarHBondContact O-N 2.88Å; R669-L672 PolarHBondContact O-N 3.49Å; R669-K673 WeakPolarHBondContact O-CB 3.48Å; R669-K673 PolarHBondContact O-N 2.64Å
670	A	88.3	Confident	75.4	Confident	51 Å²	51	106.3 Å²	106.3	42%	0.421	51%	0.505	S	S	.	.	H	α-helix	trans	-65.5	-41.7	175	0	0	0	0	0	112.1	M666 R667 H668 K673 N674	M666-A670 WeakPolarHBondContact O-CB 3.46Å; M666-A670 PolarHBondContact O-N 3.09Å; R667-A670 PolarHBondContact O-N 2.69Å; H668-A670 VanDerWaalsContact C-N 3.34Å; H668-A670 PolarHBondContact O-N 3.46Å; A670-K673 PolarHBondContact O-N 3.13Å; A670-N674 PolarHBondContact O-N 3.4Å
671	I	85.2	Confident	73.1	Confident	101 Å²	101	111 Å²	111	52%	0.518	53%	0.532	S	S	.	.	H	α-helix	trans	-63.5	-42.2	175.6	-66.9	164.2	0	0	0	110.8	R667 H668 N674 R675	R667-I671 VanDerWaalsContact O-CG1 3.31Å; R667-I671 WeakPolarHBondContact O-CG1 3.29Å; R667-I671 PolarHBondContact O-N 3.4Å; H668-I671 PolarHBondContact O-N 3.1Å; I671-N674 PolarHBondContact O-N 2.96Å; I671-R675 PolarHBondContact O-N 3.04Å
672	L	81.4	Confident	70.6	Confident	85 Å²	85	114.5 Å²	114.5	45%	0.445	56%	0.561	S	S	.	*	H	α-helix	trans	-63.5	-41.4	175.7	-74.2	171.7	0	0	0	112.4	H668 R669 N674 R675 H676	H668-L672 VanDerWaalsContact CE1-CD1 3.43Å; H668-L672 WeakPolarHBondContact CE1-CD1 3.16Å; H668-L672 WeakPolarHBondContact O-CG 3.39Å; H668-L672 PolarHBondContact O-N 3.36Å; R669-L672 PolarHBondContact O-N 3.49Å; L672-N674 VanDerWaalsContact C-N 3.32Å; L672-N674 PolarHBondContact O-N 3.03Å; L672-R675 PolarHBondContact O-N 3.22Å; L672-H676 PolarHBondContact O-N 3Å
673	K	79.6	Confident	67.8	Low	164 Å²	164	116 Å²	116	71%	0.713	58%	0.577	S	S	*	*	H	α-helix	trans	-63	-39.2	176.7	-167.7	-179.6	179.9	-174.4	0	111.7	R669 A670 H676	R669-K673 WeakPolarHBondContact O-CB 3.48Å; R669-K673 PolarHBondContact O-N 2.64Å; A670-K673 PolarHBondContact O-N 3.13Å; K673-H676 PolarHBondContact O-N 3.24Å
674	N	74.2	Confident	65.2	Low	119 Å²	119	118.9 Å²	118.9	64%	0.636	60%	0.597	S	S	*	*	H	α-helix	trans	-72.1	-34.1	176.9	-72.2	-1.7	0	0	0	112.5	A670 I671 L672 H676 Y677	A670-N674 PolarHBondContact O-N 3.4Å; I671-N674 PolarHBondContact O-N 2.96Å; L672-N674 VanDerWaalsContact C-N 3.32Å; L672-N674 PolarHBondContact O-N 3.03Å; N674-H676 VanDerWaalsContact C-N 3.33Å; N674-Y677 PolarHBondContact O-N 3.21Å
675	R	61.7	Low	62.4	Low	174 Å²	174	124.3 Å²	124.3	66%	0.657	62%	0.621	S	S	*	*	H	α-helix	trans	-66.1	-33.3	172.4	-92.7	-176.6	169.1	173.7	-3.2	112.7	I671 L672 Y677 V678	I671-R675 PolarHBondContact O-N 3.04Å; L672-R675 PolarHBondContact O-N 3.22Å; R675-Y677 PolarHBondContact O-N 2.95Å; R675-V678 PolarHBondContact O-N 3.34Å
676	H	54.4	Low	59.7	Low	173 Å²	173	127 Å²	127	80%	0.801	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-5.6	176.8	-102.7	49.5	0	0	0	114.8	L672 K673 N674	L672-H676 PolarHBondContact O-N 3Å; K673-H676 PolarHBondContact O-N 3.24Å; N674-H676 VanDerWaalsContact C-N 3.33Å
677	Y	51.1	Low	57	Low	214 Å²	214	126.4 Å²	126.4	84%	0.839	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	-4.9	171.8	-157.8	-96.4	0	0	0	112.8	N674 R675	N674-Y677 PolarHBondContact O-N 3.21Å; R675-Y677 PolarHBondContact O-N 2.95Å
678	V	46.4	Very low	54.3	Low	106 Å²	106	126.3 Å²	126.3	64%	0.642	67%	0.665	S	S	*	*	S	Bend	trans	-111	92.7	177.9	-173.7	0	0	0	0	108.3	R675	R675-V678 PolarHBondContact O-N 3.34Å
679	D	33.4	Very low	51.7	Low	110 Å²	110	126.3 Å²	126.3	59%	0.588	68%	0.683	S	S	*	*			trans	55.6	104	165.2	-64.4	-30.3	0	0	0	119.7	D681 A682	D679-D681 VanDerWaalsContact C-N 3.28Å; D679-A682 HydrophobicContact CB-CB 3.58Å
680	P	42.2	Very low	49.1	Very low	118 Å²	118	122.1 Å²	122.1	77%	0.766	69%	0.691	S	S	*	*	S	Bend	trans	-73.9	-14.1	150.8	-12.8	29.6	0	0	0	113.7
681	D	39.7	Very low	46.3	Very low	145 Å²	145	126.3 Å²	126.3	78%	0.775	71%	0.711	S	S	*	*	S	Bend	trans	-120.1	10.8	-169.6	-74.7	-32	0	0	0	115.6	D679 S683	D679-D681 VanDerWaalsContact C-N 3.28Å; D681-S683 PolarHBondContact O-N 3.4Å; D681-S683 VanDerWaalsContact O-N 3.17Å
682	A	37.2	Very low	43.7	Very low	73 Å²	73	127.7 Å²	127.7	60%	0.603	73%	0.725	S	S	*	*			trans	-90	49.8	173.3	0	0	0	0	0	112.4	D679	D679-A682 HydrophobicContact CB-CB 3.58Å
683	S	32.4	Very low	41.2	Very low	98 Å²	98	130.9 Å²	130.9	69%	0.685	74%	0.742	S	S	*	*			trans	-91.2	104	149.2	58.3	0	0	0	0	106.4	D681	D681-S683 PolarHBondContact O-N 3.4Å; D681-S683 VanDerWaalsContact O-N 3.17Å
684	V	34.3	Very low	39.1	Very low	122 Å²	122	129 Å²	129	74%	0.739	75%	0.747	S	S	*	*	S	Bend	trans	164.1	117.2	154.9	161.2	0	0	0	0	108.9
685	H	28.7	Very low	37	Very low	160 Å²	160	130.6 Å²	130.6	74%	0.741	76%	0.755	S	S	*	*			trans	54	96.1	162.1	-67.3	-60.6	0	0	0	119.7	V687	H685-V687 HydrophobicContact CB-CG2 4.38Å
686	V	32.3	Very low	35.6	Very low	152 Å²	152	131.2 Å²	131.2	92%	0.921	77%	0.768	S	S	*	*			trans	-98.4	99.4	143.7	-179.3	0	0	0	0	107.8
687	V	33.3	Very low	34.7	Very low	112 Å²	112	130.4 Å²	130.4	68%	0.679	77%	0.77	S	S	*	*			trans	-65.6	135.5	173.1	167.1	0	0	0	0	109.5	H685 G689	H685-V687 HydrophobicContact CB-CG2 4.38Å; V687-G689 PolarHBondContact O-N 3.34Å
688	V	32	Very low	33.8	Very low	144 Å²	144	127.4 Å²	127.4	87%	0.873	77%	0.768	S	S	*	*			trans	-62.8	121.7	163.6	174.1	0	0	0	0	108.8
689	G	32.6	Very low	33	Very low	66 Å²	66	127.7 Å²	127.7	68%	0.68	78%	0.775	S	S	*	*			trans	130.1	140.4	154.8	0	0	0	0	0	115.8	V687	V687-G689 PolarHBondContact O-N 3.34Å
690	G	31.8	Very low	32.9	Very low	77 Å²	77	131.5 Å²	131.5	79%	0.794	79%	0.786	S	S	*	*			trans	98.3	98.9	144.6	0	0	0	0	0	115.8	T692	G690-T692 PolarHBondContact O-N 2.92Å
691	V	28.3	Very low	32.4	Very low	139 Å²	139	131.5 Å²	131.5	84%	0.842	78%	0.784	S	S	*	*			trans	-31.2	125.8	141.9	179.4	0	0	0	0	111.5
692	T	31.9	Very low	32.1	Very low	130 Å²	130	128.2 Å²	128.2	80%	0.798	79%	0.785	S	S	*	*				178	138.2	123.7	36.6	0	0	0	0	111.9	G690	G690-T692 PolarHBondContact O-N 2.92Å
693	N	27.6	Very low	31.9	Very low	152 Å²	152	131.9 Å²	131.9	81%	0.813	79%	0.794	S	S	*	*			trans	-56.5	153.2	168.9	-81.6	-18.1	0	0	0	112.4
694	P	34.9	Very low	32	Very low	125 Å²	125	133.2 Å²	133.2	81%	0.812	79%	0.794	S	S	*	*			trans	-130.2	103	141.2	31.2	-14.3	0	0	0	110.9
695	N	30.2	Very low	31.8	Very low	152 Å²	152	135.1 Å²	135.1	81%	0.813	80%	0.8	S	S	*	*			trans	-88.1	121.8	144.5	-76.9	-12.1	0	0	0	105.5
696	M	33.2	Very low	31.9	Very low	188 Å²	188	130.7 Å²	130.7	93%	0.926	80%	0.798	S	S	*	*				-178.9	128.2	127.6	-105.6	176.8	171.6	0	0	110.9
697	D	35.2	Very low	31.9	Very low	156 Å²	156	130.9 Å²	130.9	83%	0.834	79%	0.792	S	S	*	*			trans	-58.6	153.8	172.5	-60.2	-56	0	0	0	114
698	D	31.7	Very low	31.6	Very low	150 Å²	150	132 Å²	132	80%	0.802	79%	0.792	S	S	*	*			trans	-4.6	137.3	152.4	-76.5	-32.4	0	0	0	120.4
699	S	30.1	Very low	31.6	Very low	112 Å²	112	134.4 Å²	134.4	78%	0.783	79%	0.786	S	S	*	*			trans	90	143	135.9	75.7	0	0	0	0	120.4
700	F	31.9	Very low	31.6	Very low	190 Å²	190	136 Å²	136	83%	0.833	79%	0.787	S	S	*	*			trans	96.3	93.7	160.7	-116.1	-101.1	0	0	0	119.4
701	T	32	Very low	31.7	Very low	118 Å²	118	139.2 Å²	139.2	72%	0.724	79%	0.786	S	S	*	*			trans	9.5	134.7	134.3	55.2	0	0	0	0	120
702	G	33.4	Very low	31.8	Very low	77 Å²	77	140 Å²	140	79%	0.794	78%	0.783	S	S	*	*			trans	142.7	95.9	147.2	0	0	0	0	0	116.6
703	D	32.7	Very low	32.1	Very low	149 Å²	149	139 Å²	139	80%	0.797	78%	0.781	S	S	*	*			trans	43.9	126.6	143.2	-81.9	-3.5	0	0	0	124.4
704	N	33.4	Very low	32.5	Very low	127 Å²	127	137 Å²	137	68%	0.679	78%	0.776	S	S	*	*			trans	73.3	108	132.9	-73.3	-33.4	0	0	0	122.2
705	N	29.6	Very low	32.3	Very low	162 Å²	162	138 Å²	138	87%	0.866	77%	0.774	S	S	*	*				49.3	124	127	-69.5	-14.9	0	0	0	121.2
706	G	32.5	Very low	32.6	Very low	67 Å²	67	138 Å²	138	69%	0.691	77%	0.768	S	S	*	*			trans	139.6	93	136.4	0	0	0	0	0	118.9
707	I	31.2	Very low	32.4	Very low	156 Å²	156	139.5 Å²	139.5	80%	0.8	76%	0.764	S	S	*	*				56.4	104.8	122.1	-57.5	170.9	0	0	0	119.2
708	M	27.1	Very low	32.1	Very low	136 Å²	136	137.3 Å²	137.3	67%	0.67	76%	0.761	S	S	*	*				76.5	126.6	111.4	-129.2	177	58.4	0	0	123.8
709	Y	31.9	Very low	32.1	Very low	194 Å²	194	136.1 Å²	136.1	76%	0.761	76%	0.764	S	S	*	*			trans	67.6	130.1	151.2	-58.8	-43	0	0	0	123.9
710	S	33.9	Very low	31.9	Very low	100 Å²	100	136.9 Å²	136.9	70%	0.699	77%	0.769	S	S	*	*				138	129.8	109.6	69.8	0	0	0	0	116
711	D	32.2	Very low	31.8	Very low	144 Å²	144	136.7 Å²	136.7	77%	0.77	77%	0.771	S	S	*	*			trans	64.9	149.8	138.9	-67.3	-17.2	0	0	0	121.3
712	M	32	Very low	31.5	Very low	156 Å²	156	141.3 Å²	141.3	77%	0.768	78%	0.781	S	S	*	*			cis	179	153	-10.5	-177	-175.8	-90.7	0	0	106.9
713	S	36.3	Very low	31.2	Very low	109 Å²	109	148.8 Å²	148.8	76%	0.762	79%	0.785	S	S	*	*			trans	99.9	156	147.5	91.9	0	0	0	0	120.4
714	P	36.3	Very low	30.8	Very low	108 Å²	108	146.3 Å²	146.3	70%	0.701	78%	0.78	S	S	*	*				-144.5	-164.9	-104.2	31.3	-3.5	0	0	0	116.1
715	L	32.2	Very low	30.6	Very low	147 Å²	147	150.1 Å²	150.1	77%	0.77	79%	0.79	S	S	*	*			trans	104.8	118.8	151	-102.1	78.9	0	0	0	122.5
716	H	35	Very low	30.5	Very low	152 Å²	152	148.3 Å²	148.3	70%	0.704	79%	0.785	S	S	*	*			trans	87	108	137.8	-93.8	-57	0	0	0	124.2
717	R	29.4	Very low	30.2	Very low	219 Å²	219	149.9 Å²	149.9	83%	0.826	79%	0.785	S	S	*	*				96.9	105.7	118.3	-141.2	171.7	-165	177.8	2.8	118.8
718	S	28.5	Very low	30.2	Very low	111 Å²	111	150 Å²	150	78%	0.776	79%	0.787	S	S	*	*			trans	128	109.5	131	70.8	0	0	0	0	115.4
719	S	31.7	Very low	30.3	Very low	124 Å²	124	150.5 Å²	150.5	87%	0.867	79%	0.791	S	S	*	*			trans	141.9	93.9	153.7	54.1	0	0	0	0	110.1	E721	S719-E721 PolarHBondContact O-N 3.37Å
720	S	26.9	Very low	30.1	Very low	128 Å²	128	146.2 Å²	146.2	90%	0.895	79%	0.789	S	S	*	*			trans	-85.2	98.4	179.9	-68.8	0	0	0	0	110.3
721	E	28.6	Very low	29.8	Very low	187 Å²	187	150.2 Å²	150.2	87%	0.874	80%	0.796	S	S	*	*			trans	-137.9	96	160.4	-84.9	-170.7	161.9	0	0	109.5	S719	S719-E721 PolarHBondContact O-N 3.37Å
722	K	26	Very low	29.7	Very low	215 Å²	215	149.1 Å²	149.1	94%	0.935	80%	0.795	S	S	*	*			trans	175.6	112.6	152.4	-101.7	167.3	-174.3	179.2	0	109.4
723	R	27.5	Very low	29.5	Very low	234 Å²	234	149.5 Å²	149.5	88%	0.883	80%	0.8	S	S	*	*			trans	-141.1	89.9	163.7	-159.3	172.8	-172.4	176.3	1.5	110.8
724	S	25.4	Very low	29	Very low	97 Å²	97	149 Å²	149	68%	0.678	80%	0.797	S	S	*	*			trans	15.9	119.3	132.5	53	0	0	0	0	119.6
725	K	28.7	Very low	28.6	Very low	207 Å²	207	150.1 Å²	150.1	90%	0.9	80%	0.804	S	S	*	*			trans	-145.8	105.6	143.7	-73.6	-176.8	176.3	179.7	0	104.8
726	V	27.9	Very low	28.4	Very low	123 Å²	123	153.4 Å²	153.4	75%	0.745	81%	0.806	S	S	*	*				52	106.8	63.4	-172.5	0	0	0	0	113.9
727	S	26.6	Very low	28.1	Very low	100 Å²	100	151.1 Å²	151.1	70%	0.699	81%	0.807	S	S	*	*			trans	67.4	142.9	155.4	75.7	0	0	0	0	116.3
728	L	30.9	Very low	28	Very low	159 Å²	159	148.6 Å²	148.6	83%	0.832	81%	0.805	S	S	*	*			cis	-153.2	153.3	27.6	-128.1	113.1	0	0	0	108.3	S730	L728-S730 PolarHBondContact O-N 3.48Å
729	I	27.6	Very low	28.1	Very low	147 Å²	147	151 Å²	151	75%	0.754	81%	0.809	S	S	*	*			trans	-65.2	121.7	171.9	-66.3	156.5	0	0	0	109.3	Q731	I729-Q731 HydrophobicContact CG2-CG 4.19Å
730	S	29.6	Very low	28.4	Very low	103 Å²	103	150 Å²	150	72%	0.72	80%	0.797	S	S	*	*			trans	-128.1	100.9	151.2	56.1	0	0	0	0	108.5	L728 T732	L728-S730 PolarHBondContact O-N 3.48Å; S730-T732 PolarHBondContact O-N 2.91Å
731	Q	26.1	Very low	29.4	Very low	184 Å²	184	152.2 Å²	152.2	86%	0.86	79%	0.793	S	S	*	*			trans	-67.2	106.6	162.2	-70.6	172.3	-16.1	0	0	107.3	I729	I729-Q731 HydrophobicContact CG2-CG 4.19Å
732	T	31	Very low	30.6	Very low	121 Å²	121	152.6 Å²	152.6	74%	0.742	79%	0.792	S	S	*	*			trans	-132.6	104.3	162.6	46.3	0	0	0	0	107.6	S730 S734	S730-T732 PolarHBondContact O-N 2.91Å; T732-S734 PolarHBondContact O-N 3.41Å
733	D	27.1	Very low	32.8	Very low	164 Å²	164	145 Å²	145	88%	0.877	76%	0.759	S	S	*	*			trans	18.7	91.9	160.3	-67.1	-29.7	0	0	0	116.8
734	S	25.3	Very low	35.4	Very low	100 Å²	100	138.5 Å²	138.5	70%	0.699	74%	0.742	S	S	*	*			trans	-74.3	126.3	149.8	41.8	0	0	0	0	107.9	T732 R736	T732-S734 PolarHBondContact O-N 3.41Å; S734-R736 PolarHBondContact O-N 2.92Å
735	P	29.5	Very low	38.4	Very low	130 Å²	130	137.1 Å²	137.1	84%	0.844	72%	0.724	S	S	*	*			trans	-64	97.2	152.8	6.2	8	0	0	0	105.7	S737	P735-S737 PolarHBondContact O-N 3.36Å
736	R	27.2	Very low	41.3	Very low	216 Å²	216	128.9 Å²	128.9	82%	0.815	70%	0.697	S	S	*	*			trans	-17.5	113.8	157.2	-68.6	168.7	172.1	166.4	-3	111.8	S734 H738	S734-R736 PolarHBondContact O-N 2.92Å; R736-H738 PolarHBondContact O-N 2.91Å
737	S	28.3	Very low	44.3	Very low	104 Å²	104	128.1 Å²	128.1	73%	0.727	69%	0.689	S	S	*	*	S	Bend		11.7	88.9	121.6	57.4	0	0	0	0	114.9	P735	P735-S737 PolarHBondContact O-N 3.36Å
738	H	28.1	Very low	47.3	Very low	167 Å²	167	125.7 Å²	125.7	77%	0.773	67%	0.668	S	S	*	*			trans	-175	19.6	147.4	-109.4	-67.5	0	0	0	117.9	R736 V740	R736-H738 PolarHBondContact O-N 2.91Å; H738-V740 PolarHBondContact O-N 3.26Å
739	D	29.7	Very low	50.2	Low	162 Å²	162	120.3 Å²	120.3	87%	0.866	64%	0.639	S	S	*	*			trans	-86.7	61.3	165.7	-72.3	-26.4	0	0	0	111.3	H741	D739-H741 PolarHBondContact O-N 2.88Å
740	V	38.5	Very low	53.3	Low	102 Å²	102	117.3 Å²	117.3	62%	0.618	63%	0.627	S	S	*	*			trans	-71.2	96.1	150.3	-179.5	0	0	0	0	103.8	H738 K742	H738-V740 PolarHBondContact O-N 3.26Å; V740-K742 PolarHBondContact O-N 3.01Å
741	H	47.7	Very low	56.2	Low	174 Å²	174	118.4 Å²	118.4	81%	0.806	62%	0.621	S	S	*	*			trans	-40.6	109.3	168.7	-88.3	-84.6	0	0	0	107.4	D739 F743	D739-H741 PolarHBondContact O-N 2.88Å; H741-F743 PolarHBondContact O-N 3.21Å
742	K	53.2	Low	59.3	Low	196 Å²	196	110.1 Å²	110.1	85%	0.852	58%	0.582	S	S	*	*			trans	-52.9	117.1	173.6	-77.2	179.5	179	174.6	0	104.7	V740 D744	V740-K742 PolarHBondContact O-N 3.01Å; K742-D744 VanDerWaalsContact C-N 3.25Å; K742-D744 PolarHBondContact O-N 3.31Å
743	F	72.7	Confident	62.3	Low	55 Å²	55	105.7 Å²	105.7	24%	0.241	56%	0.556	C	S	.	*			trans	-62.1	95.1	176.7	176.3	-96.3	0	0	0	107.4	L664 Y665 H668 H741 F745 I748	L664-F743 HydrophobicContact CB-CE2 3.79Å; L664-F743 HydrophobicContact CB-CZ 3.86Å; Y665-F743 HydrophobicContact CD2-CE1 4.15Å; H668-F743 HydrophobicContact CB-CD1 4.02Å; H668-F743 HydrophobicContact CB-CE1 4.25Å; H668-F743 HydrophobicContact CB-CG 4.17Å; H668-F743 AromaticContact CD2-CG 3.88Å; H668-F743 AromaticContact CG-CD1 3.78Å; H668-F743 AromaticContact CG-CG 3.81Å; H668-F743 AromaticContact ND1-CD1 3.82Å; H741-F743 PolarHBondContact O-N 3.21Å; F743-F745 HydrophobicContact CD1-CB 4.46Å; F743-F745 HydrophobicContact CE1-CB 3.9Å; F743-F745 HydrophobicContact CE1-CD2 4.15Å; F743-F745 HydrophobicContact CZ-CD2 4.35Å; F743-F745 PolarHBondContact O-N 3.05Å; F743-I748 HydrophobicContact CD2-CD1 3.7Å; F743-I748 HydrophobicContact CE2-CD1 3.2Å; F743-I748 HydrophobicContact CZ-CD1 3.78Å
744	D	82.8	Confident	65.4	Low	98 Å²	98	102.5 Å²	102.5	52%	0.524	54%	0.538	S	S	.	.			trans	-87.8	97.7	175.8	-166.1	-14.4	0	0	0	108.1	K742 G746 D747 I748	K742-D744 VanDerWaalsContact C-N 3.25Å; K742-D744 PolarHBondContact O-N 3.31Å; D744-G746 PolarHBondContact O-N 3Å; D744-G746 WeakPolarHBondContact OD1-CA 3.43Å; D744-G746 PolarHBondContact OD1-N 3.1Å; D744-D747 HydrophobicContact CB-CB 4.08Å; D744-D747 PolarHBondContact O-N 3Å; D744-I748 WeakPolarHBondContact O-CG1 3.45Å; D744-I748 PolarHBondContact O-N 2.84Å
745	F	87.7	Confident	68.5	Low	68 Å²	68	100.5 Å²	100.5	30%	0.298	52%	0.517	S	S	.	.	H	α-helix	trans	-58.1	-32.9	175.7	178.9	-103.7	0	0	0	111.7	P661 L662 Y665 F743 M749	P661-F745 HydrophobicContact CB-CE2 3.94Å; L662-F745 HydrophobicContact CD2-CZ 4.35Å; Y665-F745 HydrophobicContact CD2-CB 4.4Å; Y665-F745 AromaticContact CD2-CD2 3.88Å; Y665-F745 HydrophobicContact CD2-CD2 3.88Å; Y665-F745 HydrophobicContact CD2-CE2 4.38Å; Y665-F745 HydrophobicContact CD2-CG 4.14Å; Y665-F745 HydrophobicContact CG-CD2 4.07Å; Y665-F745 HydrophobicContact CG-CE2 4.18Å; F743-F745 HydrophobicContact CD1-CB 4.46Å; F743-F745 HydrophobicContact CE1-CB 3.9Å; F743-F745 HydrophobicContact CE1-CD2 4.15Å; F743-F745 HydrophobicContact CZ-CD2 4.35Å; F743-F745 PolarHBondContact O-N 3.05Å; F745-M749 WeakPolarHBondContact O-CB 3.32Å; F745-M749 PolarHBondContact O-N 3.35Å
746	G	90.1	Very high	71.5	Confident	34 Å²	34	94.4 Å²	94.4	35%	0.351	48%	0.478	S	S	.	.	H	α-helix	trans	-62.9	-49.4	179.4	0	0	0	0	0	111.4	D744 M749 V750	D744-G746 PolarHBondContact O-N 3Å; D744-G746 WeakPolarHBondContact OD1-CA 3.43Å; D744-G746 PolarHBondContact OD1-N 3.1Å; G746-M749 PolarHBondContact O-N 3Å; G746-V750 VanDerWaalsContact O-CG2 3.31Å; G746-V750 WeakPolarHBondContact O-CG2 3.48Å; G746-V750 PolarHBondContact O-N 3Å
747	D	91.6	Very high	74.6	Confident	106 Å²	106	88.9 Å²	88.9	57%	0.567	46%	0.463	S	S	*	.	H	α-helix	trans	-62.6	-46.4	-179.7	-169.4	24.5	0	0	0	112	D744 M749 V750 H751	D744-D747 HydrophobicContact CB-CB 4.08Å; D744-D747 PolarHBondContact O-N 3Å; D747-M749 VanDerWaalsContact C-N 3.31Å; D747-M749 PolarHBondContact O-N 3.18Å; D747-V750 PolarHBondContact O-N 3.47Å; D747-H751 WeakPolarHBondContact O-CB 3.42Å; D747-H751 PolarHBondContact O-N 3.33Å
748	I	89.1	Confident	77.6	Confident	49 Å²	49	88.7 Å²	88.7	25%	0.251	45%	0.451	S	S	.	.	H	α-helix	trans	-61.7	-41.3	177.5	-62.1	168.5	0	0	0	111.1	P661 L664 F743 D744 Q752	P661-I748 HydrophobicContact CB-CG2 4.13Å; L664-I748 HydrophobicContact CD1-CG2 4.32Å; F743-I748 HydrophobicContact CD2-CD1 3.7Å; F743-I748 HydrophobicContact CE2-CD1 3.2Å; F743-I748 HydrophobicContact CZ-CD1 3.78Å; D744-I748 WeakPolarHBondContact O-CG1 3.45Å; D744-I748 PolarHBondContact O-N 2.84Å; I748-Q752 VanDerWaalsContact O-CB 3.24Å; I748-Q752 WeakPolarHBondContact O-CB 3.42Å; I748-Q752 PolarHBondContact O-N 2.85Å
749	M	91.2	Very high	80.6	Confident	47 Å²	47	81.8 Å²	81.8	23%	0.232	42%	0.419	C	S	.	.	H	α-helix	trans	-66.8	-42	179.3	-176	66.4	-173.5	0	0	111.7	L657 L658 P661 F745 G746 D747 S753	L657-M749 HydrophobicContact CD2-CE 3.47Å; L657-M749 VanDerWaalsContact CD2-CE 3.47Å; L657-M749 HydrophobicContact CG-CE 4.5Å; L658-M749 HydrophobicContact CD2-CE 3.91Å; P661-M749 HydrophobicContact CB-SD 4.16Å; P661-M749 HydrophobicContact CG-SD 3.78Å; F745-M749 WeakPolarHBondContact O-CB 3.32Å; F745-M749 PolarHBondContact O-N 3.35Å; G746-M749 PolarHBondContact O-N 3Å; D747-M749 VanDerWaalsContact C-N 3.31Å; D747-M749 PolarHBondContact O-N 3.18Å; M749-S753 VanDerWaalsContact O-CB 3.29Å; M749-S753 WeakPolarHBondContact O-CB 3.3Å; M749-S753 PolarHBondContact O-N 2.93Å; M749-S753 PolarHBondContact O-OG 3.16Å
750	V	93.1	Very high	83.5	Confident	83 Å²	83	74.9 Å²	74.9	50%	0.503	38%	0.383	S	S	.	.	H	α-helix	trans	-65	-49.3	176.7	171.6	0	0	0	0	110.3	G746 D747 Q752 S753 I754	G746-V750 VanDerWaalsContact O-CG2 3.31Å; G746-V750 WeakPolarHBondContact O-CG2 3.48Å; G746-V750 PolarHBondContact O-N 3Å; D747-V750 PolarHBondContact O-N 3.47Å; V750-Q752 PolarHBondContact O-N 3.05Å; V750-S753 WeakPolarHBondContact O-CB 3.28Å; V750-S753 PolarHBondContact O-N 3.23Å; V750-S753 VanDerWaalsContact O-N 3.15Å; V750-I754 HydrophobicContact CG1-CD1 3.88Å; V750-I754 WeakPolarHBondContact O-CG1 3.45Å; V750-I754 PolarHBondContact O-N 2.96Å
751	H	91.1	Very high	86	Confident	127 Å²	127	75.5 Å²	75.5	59%	0.588	38%	0.382	S	S	*	.	H	α-helix	trans	-59.1	-44.8	178.2	-174.7	74.9	0	0	0	112	D747 S753 I754 H755	D747-H751 WeakPolarHBondContact O-CB 3.42Å; D747-H751 PolarHBondContact O-N 3.33Å; H751-S753 VanDerWaalsContact C-N 3.35Å; H751-S753 PolarHBondContact O-N 3.38Å; H751-I754 PolarHBondContact O-N 3.35Å; H751-H755 WeakPolarHBondContact O-CB 3.46Å; H751-H755 PolarHBondContact O-N 3.11Å
752	Q	91.2	Very high	88.1	Confident	9 Å²	9	68 Å²	68	4%	0.042	35%	0.352	C	S	.	.	H	α-helix	trans	-65.9	-36.9	176.9	-172.4	63.5	32.1	0	0	112.2	M656 L657 P661 I748 V750 T756	M656-Q752 PolarHBondContact O-NE2 2.91Å; L657-Q752 WeakPolarHBondContact O-CG 3.28Å; P661-Q752 HydrophobicContact CG-CG 4.44Å; I748-Q752 VanDerWaalsContact O-CB 3.24Å; I748-Q752 WeakPolarHBondContact O-CB 3.42Å; I748-Q752 PolarHBondContact O-N 2.85Å; V750-Q752 PolarHBondContact O-N 3.05Å; Q752-T756 WeakPolarHBondContact O-CB 3.49Å; Q752-T756 PolarHBondContact O-N 3.49Å; Q752-T756 PolarHBondContact O-OG1 3.44Å
753	S	92.6	Very high	89.8	Confident	28 Å²	28	58.7 Å²	58.7	20%	0.196	31%	0.312	C	S	.	.	H	α-helix	trans	-64.7	-45.4	177.2	-61.6	0	0	0	0	111.2	M749 V750 H751 T756 I757	M749-S753 VanDerWaalsContact O-CB 3.29Å; M749-S753 WeakPolarHBondContact O-CB 3.3Å; M749-S753 PolarHBondContact O-N 2.93Å; M749-S753 PolarHBondContact O-OG 3.16Å; V750-S753 WeakPolarHBondContact O-CB 3.28Å; V750-S753 PolarHBondContact O-N 3.23Å; V750-S753 VanDerWaalsContact O-N 3.15Å; H751-S753 VanDerWaalsContact C-N 3.35Å; H751-S753 PolarHBondContact O-N 3.38Å; S753-T756 PolarHBondContact O-N 3.03Å; S753-I757 WeakPolarHBondContact O-CG1 3.21Å; S753-I757 PolarHBondContact O-N 3.37Å
754	I	92.7	Very high	90.7	Very high	98 Å²	98	60.7 Å²	60.7	50%	0.503	32%	0.324	S	S	.	.	H	α-helix	trans	-60.3	-51.8	175.7	-66.1	167.6	0	0	0	109.9	V750 H751 T756 I757 E758	V750-I754 HydrophobicContact CG1-CD1 3.88Å; V750-I754 WeakPolarHBondContact O-CG1 3.45Å; V750-I754 PolarHBondContact O-N 2.96Å; H751-I754 PolarHBondContact O-N 3.35Å; I754-T756 VanDerWaalsContact C-N 3.27Å; I754-T756 PolarHBondContact O-N 3.41Å; I754-I757 PolarHBondContact O-N 3.46Å; I754-E758 WeakPolarHBondContact O-CB 3.24Å; I754-E758 PolarHBondContact O-N 3.07Å
755	H	91	Very high	91.2	Very high	58 Å²	58	59.6 Å²	59.6	27%	0.269	32%	0.324	S	S	.	.	H	α-helix	trans	-58.8	-37.7	179.7	179.7	-85	0	0	0	112.5	L578 Q582 H751 F759	L578-H755 VanDerWaalsContact CD1-CE1 3.45Å; L578-H755 WeakPolarHBondContact CD1-CE1 3.44Å; Q582-H755 PolarHBondContact NE2-CE1 3.14Å; Q582-H755 VanDerWaalsContact NE2-CE1 3.34Å; H751-H755 WeakPolarHBondContact O-CB 3.46Å; H751-H755 PolarHBondContact O-N 3.11Å; H755-F759 VanDerWaalsContact O-CB 3.3Å; H755-F759 WeakPolarHBondContact O-CB 3.39Å; H755-F759 PolarHBondContact O-N 3.47Å
756	T	91.9	Very high	91.5	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.012	32%	0.315	C	S	.	.	H	α-helix	trans	-66.3	-48.5	177.6	-58.9	0	0	0	0	111.2	V653 M656 L657 Q752 S753 I754 F759 C760	V653-T756 HydrophobicContact CG1-CG2 4.36Å; M656-T756 HydrophobicContact CB-CG2 4.24Å; M656-T756 HydrophobicContact CE-CG2 3.45Å; M656-T756 VanDerWaalsContact CE-CG2 3.45Å; M656-T756 HydrophobicContact CG-CG2 4.16Å; L657-T756 HydrophobicContact CB-CG2 4.04Å; L657-T756 HydrophobicContact CD1-CG2 4.41Å; Q752-T756 WeakPolarHBondContact O-CB 3.49Å; Q752-T756 PolarHBondContact O-N 3.49Å; Q752-T756 PolarHBondContact O-OG1 3.44Å; S753-T756 PolarHBondContact O-N 3.03Å; I754-T756 VanDerWaalsContact C-N 3.27Å; I754-T756 PolarHBondContact O-N 3.41Å; T756-F759 PolarHBondContact O-N 3.43Å; T756-C760 PolarHBondContact O-N 3.47Å; T756-C760 PolarHBondContact O-SG 3.34Å; T756-C760 VanDerWaalsContact O-SG 3.42Å
757	I	92.3	Very high	91.6	Very high	100 Å²	100	56 Å²	56	51%	0.513	30%	0.3	S	S	.	.	H	α-helix	trans	-64	-45.9	-179.9	-69	168.5	0	0	0	110.4	S753 I754 F759 C760 L761	S753-I757 WeakPolarHBondContact O-CG1 3.21Å; S753-I757 PolarHBondContact O-N 3.37Å; I754-I757 PolarHBondContact O-N 3.46Å; I757-F759 VanDerWaalsContact C-N 3.35Å; I757-F759 PolarHBondContact O-N 2.92Å; I757-C760 PolarHBondContact O-N 3.29Å; I757-L761 HydrophobicContact CG2-CD1 3.79Å; I757-L761 HydrophobicContact CG2-CG 4.4Å; I757-L761 WeakPolarHBondContact O-CB 3.3Å; I757-L761 WeakPolarHBondContact O-CG 3.26Å; I757-L761 PolarHBondContact O-N 3.02Å
758	E	91.8	Very high	91.6	Very high	99 Å²	99	53.6 Å²	53.6	46%	0.463	30%	0.295	S	S	.	.	H	α-helix	trans	-60.2	-44.3	177.8	-172.4	-177	165.6	0	0	111.2	I754 G762 N844	I754-E758 WeakPolarHBondContact O-CB 3.24Å; I754-E758 PolarHBondContact O-N 3.07Å; E758-G762 WeakPolarHBondContact O-CA 3.37Å; E758-G762 PolarHBondContact O-N 2.95Å; E758-N844 PolarHBondContact OE1-ND2 3.37Å
759	F	90.6	Very high	91.9	Very high	22 Å²	22	52 Å²	52	10%	0.096	29%	0.288	C	S	.	.	H	α-helix	trans	-64	-47.9	177.8	-178.3	-90.1	0	0	0	112.2	I559 Q582 F585 M656 H755 T756 I757 G762 C763	I559-F759 HydrophobicContact CD1-CE2 3.98Å; I559-F759 HydrophobicContact CD1-CZ 3.84Å; Q582-F759 HydrophobicContact CB-CE1 3.78Å; Q582-F759 HydrophobicContact CB-CE2 3.92Å; Q582-F759 HydrophobicContact CB-CZ 3.39Å; Q582-F759 HydrophobicContact CG-CD1 3.91Å; Q582-F759 HydrophobicContact CG-CD2 3.97Å; Q582-F759 HydrophobicContact CG-CE1 3.58Å; Q582-F759 HydrophobicContact CG-CE2 3.63Å; Q582-F759 HydrophobicContact CG-CG 4.1Å; Q582-F759 HydrophobicContact CG-CZ 3.43Å; Q582-F759 VanDerWaalsContact CG-CZ 3.43Å; F585-F759 HydrophobicContact CD1-CE1 4.09Å; M656-F759 HydrophobicContact CE-CB 4.28Å; M656-F759 HydrophobicContact CE-CD1 3.88Å; M656-F759 HydrophobicContact CE-CG 4.41Å; M656-F759 HydrophobicContact SD-CD1 4.28Å; H755-F759 VanDerWaalsContact O-CB 3.3Å; H755-F759 WeakPolarHBondContact O-CB 3.39Å; H755-F759 PolarHBondContact O-N 3.47Å; T756-F759 PolarHBondContact O-N 3.43Å; I757-F759 VanDerWaalsContact C-N 3.35Å; I757-F759 PolarHBondContact O-N 2.92Å; F759-G762 PolarHBondContact O-N 3.45Å; F759-C763 VanDerWaalsContact CE1-SG 3.51Å; F759-C763 WeakPolarHBondContact CZ-SG 3.44Å; F759-C763 WeakPolarHBondContact O-CB 3.43Å; F759-C763 PolarHBondContact O-N 3.14Å; F759-C763 PolarHBondContact O-SG 3.13Å; F759-C763 VanDerWaalsContact O-SG 3.4Å
760	C	90.7	Very high	92.1	Very high	18 Å²	18	49.7 Å²	49.7	12%	0.122	28%	0.277	C	S	.	.	H	α-helix	trans	-64.7	-48.4	-176.9	-72.5	0	0	0	0	112.4	F585 T756 I757	F585-C760 HydrophobicContact CE1-CB 4.45Å; F585-C760 HydrophobicContact CZ-CB 4.29Å; T756-C760 PolarHBondContact O-N 3.47Å; T756-C760 PolarHBondContact O-SG 3.34Å; T756-C760 VanDerWaalsContact O-SG 3.42Å; I757-C760 PolarHBondContact O-N 3.29Å
761	L	92	Very high	92.2	Very high	114 Å²	114	48.6 Å²	48.6	60%	0.597	27%	0.268	S	S	*	.	H	α-helix	trans	-69.9	-38.6	176.8	-64.7	179.3	0	0	0	111.3	I757 C763 I764 S765	I757-L761 HydrophobicContact CG2-CD1 3.79Å; I757-L761 HydrophobicContact CG2-CG 4.4Å; I757-L761 WeakPolarHBondContact O-CB 3.3Å; I757-L761 WeakPolarHBondContact O-CG 3.26Å; I757-L761 PolarHBondContact O-N 3.02Å; L761-C763 VanDerWaalsContact C-N 3.35Å; L761-C763 PolarHBondContact O-N 3.43Å; L761-I764 PolarHBondContact O-N 3.44Å; L761-S765 PolarHBondContact O-N 3.01Å
762	G	90.6	Very high	92.4	Very high	17 Å²	17	44.6 Å²	44.6	18%	0.175	25%	0.248	C	C	.	.	H	α-helix	trans	-60.2	-39.9	175.5	0	0	0	0	0	112.3	E758 F759 I764 S765 N766	E758-G762 WeakPolarHBondContact O-CA 3.37Å; E758-G762 PolarHBondContact O-N 2.95Å; F759-G762 PolarHBondContact O-N 3.45Å; G762-I764 VanDerWaalsContact C-N 3.31Å; G762-I764 PolarHBondContact O-N 3.12Å; G762-S765 PolarHBondContact O-N 3.13Å; G762-N766 WeakPolarHBondContact O-CA 3.37Å; G762-N766 WeakPolarHBondContact O-CB 3.49Å; G762-N766 PolarHBondContact O-N 3.23Å; G762-N766 PolarHBondContact O-ND2 3.26Å; G762-N766 PolarHBondContact O-OD1 2.85Å
763	C	89.4	Confident	92.6	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.007	25%	0.246	C	C	.	.	H	α-helix	trans	-58	-41.4	175.7	-87	0	0	0	0	113	F585 F759 L761 T767	F585-C763 HydrophobicContact CE1-CB 4.08Å; F759-C763 VanDerWaalsContact CE1-SG 3.51Å; F759-C763 WeakPolarHBondContact CZ-SG 3.44Å; F759-C763 WeakPolarHBondContact O-CB 3.43Å; F759-C763 PolarHBondContact O-N 3.14Å; F759-C763 PolarHBondContact O-SG 3.13Å; F759-C763 VanDerWaalsContact O-SG 3.4Å; L761-C763 VanDerWaalsContact C-N 3.35Å; L761-C763 PolarHBondContact O-N 3.43Å; C763-T767 WeakPolarHBondContact O-CB 3.45Å; C763-T767 PolarHBondContact O-N 2.89Å; C763-T767 PolarHBondContact O-OG1 3.42Å
764	I	91.6	Very high	92.7	Very high	96 Å²	96	45.7 Å²	45.7	49%	0.492	25%	0.247	S	C	.	.	H	α-helix	trans	-70.9	-50	178.5	-59	172.1	0	0	0	110.1	F590 L761 G762 N766 T767 A768	F590-I764 HydrophobicContact CE2-CG1 4.41Å; F590-I764 HydrophobicContact CZ-CB 4.49Å; F590-I764 HydrophobicContact CZ-CG1 4.23Å; L761-I764 PolarHBondContact O-N 3.44Å; G762-I764 VanDerWaalsContact C-N 3.31Å; G762-I764 PolarHBondContact O-N 3.12Å; I764-N766 PolarHBondContact O-N 3.48Å; I764-T767 PolarHBondContact O-N 3.45Å; I764-A768 PolarHBondContact O-N 2.87Å; I764-A768 VanDerWaalsContact O-N 3.08Å
765	S	93.3	Very high	92.8	Very high	76 Å²	76	43.5 Å²	43.5	53%	0.531	24%	0.243	S	C	.	.	H	α-helix	trans	-60	-45.9	179.6	-175.8	0	0	0	0	112.2	L761 G762 T767 A768 S769	L761-S765 PolarHBondContact O-N 3.01Å; G762-S765 PolarHBondContact O-N 3.13Å; S765-T767 PolarHBondContact O-N 3.32Å; S765-A768 PolarHBondContact O-N 3.28Å; S765-S769 VanDerWaalsContact O-CB 3.31Å; S765-S769 WeakPolarHBondContact O-CB 3.3Å; S765-S769 PolarHBondContact O-N 3.03Å
766	N	93	Very high	93	Very high	18 Å²	18	42 Å²	42	10%	0.096	24%	0.237	C	C	.	.	H	α-helix	trans	-67	-38.2	-178.6	-65.5	-6.5	0	0	0	111.1	M555 G762 I764 S769 Y770 E841	M555-N766 HydrophobicContact SD-CB 3.66Å; G762-N766 WeakPolarHBondContact O-CA 3.37Å; G762-N766 WeakPolarHBondContact O-CB 3.49Å; G762-N766 PolarHBondContact O-N 3.23Å; G762-N766 PolarHBondContact O-ND2 3.26Å; G762-N766 PolarHBondContact O-OD1 2.85Å; I764-N766 PolarHBondContact O-N 3.48Å; N766-S769 VanDerWaalsContact O-CB 3.32Å; N766-S769 WeakPolarHBondContact O-CB 3.48Å; N766-S769 PolarHBondContact O-N 3.45Å; N766-Y770 WeakPolarHBondContact O-CD2 3.37Å; N766-Y770 PolarHBondContact O-N 2.91Å; N766-E841 HydrophobicContact CB-CB 4.31Å; N766-E841 HydrophobicContact CB-CG 3.78Å
767	T	92.2	Very high	93.1	Very high	7 Å²	7	42 Å²	42	4%	0.043	24%	0.238	C	C	.	.	H	α-helix	trans	-65.1	-45.1	174.9	-50.4	0	0	0	0	111.5	V552 M555 F590 C763 I764 S765 S769 Y770	V552-T767 HydrophobicContact CG2-CG2 4.07Å; M555-T767 HydrophobicContact CE-CG2 4.32Å; M555-T767 WeakPolarHBondContact CE-OG1 3.16Å; F590-T767 HydrophobicContact CD1-CG2 3.59Å; F590-T767 HydrophobicContact CE1-CG2 3.66Å; F590-T767 HydrophobicContact CG-CG2 4.23Å; F590-T767 HydrophobicContact CZ-CG2 4.36Å; C763-T767 WeakPolarHBondContact O-CB 3.45Å; C763-T767 PolarHBondContact O-N 2.89Å; C763-T767 PolarHBondContact O-OG1 3.42Å; I764-T767 PolarHBondContact O-N 3.45Å; S765-T767 PolarHBondContact O-N 3.32Å; T767-S769 VanDerWaalsContact C-N 3.26Å; T767-S769 PolarHBondContact O-N 2.86Å; T767-Y770 PolarHBondContact O-N 3.4Å
768	A	92.4	Very high	93.1	Very high	57 Å²	57	39.3 Å²	39.3	47%	0.471	22%	0.224	S	C	.	.	H	α-helix	trans	-63.4	-34.8	176.6	0	0	0	0	0	112	I764 S765 Y770 L771	I764-A768 PolarHBondContact O-N 2.87Å; I764-A768 VanDerWaalsContact O-N 3.08Å; S765-A768 PolarHBondContact O-N 3.28Å; A768-Y770 VanDerWaalsContact C-N 3.27Å; A768-Y770 PolarHBondContact O-N 3.47Å; A768-L771 WeakPolarHBondContact O-CB 3.45Å; A768-L771 WeakPolarHBondContact O-CG 3.37Å; A768-L771 PolarHBondContact O-N 3.18Å
769	S	94.7	Very high	93.2	Very high	14 Å²	14	36.8 Å²	36.8	10%	0.098	22%	0.22	C	C	.	.	H	α-helix	trans	-58.3	-33.8	176.3	149.6	0	0	0	0	113.6	S765 N766 T767 L771 R772 E841	S765-S769 VanDerWaalsContact O-CB 3.31Å; S765-S769 WeakPolarHBondContact O-CB 3.3Å; S765-S769 PolarHBondContact O-N 3.03Å; N766-S769 VanDerWaalsContact O-CB 3.32Å; N766-S769 WeakPolarHBondContact O-CB 3.48Å; N766-S769 PolarHBondContact O-N 3.45Å; T767-S769 VanDerWaalsContact C-N 3.26Å; T767-S769 PolarHBondContact O-N 2.86Å; S769-L771 PolarHBondContact O-N 3.24Å; S769-L771 VanDerWaalsContact O-N 3.1Å; S769-R772 WeakPolarHBondContact O-CB 3.42Å; S769-R772 VanDerWaalsContact O-CG 3.25Å; S769-R772 WeakPolarHBondContact O-CG 3.15Å; S769-R772 PolarHBondContact O-N 3.34Å; S769-R772 VanDerWaalsContact O-N 3.08Å; S769-R772 PolarHBondContact OG-NH1 3.39Å; S769-R772 VanDerWaalsContact OG-NH1 3.08Å; S769-R772 PolarHBondContact OG-NH2 3.38Å; S769-E841 WeakPolarHBondContact CB-OE1 3.26Å; S769-E841 PolarHBondContact OG-OE1 3.03Å
770	Y	95.7	Very high	93.4	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.4	176.3	-80.1	-81.5	0	0	0	113.7	S547 G551 H554 M555 N766 T767 A768 R772 L773 L837 E841	S547-Y770 WeakPolarHBondContact CB-O 3.5Å; G551-Y770 VanDerWaalsContact CA-CD2 3.45Å; H554-Y770 HydrophobicContact CB-CE1 4.48Å; H554-Y770 AromaticContact ND1-CE1 3.88Å; H554-Y770 AromaticContact ND1-CZ 3.75Å; H554-Y770 PolarHBondContact ND1-OH 2.89Å; M555-Y770 HydrophobicContact CE-CD2 4.13Å; M555-Y770 HydrophobicContact CE-CE2 4.01Å; M555-Y770 HydrophobicContact CG-CE2 3.69Å; M555-Y770 HydrophobicContact SD-CD2 4.48Å; M555-Y770 HydrophobicContact SD-CE2 3.91Å; N766-Y770 WeakPolarHBondContact O-CD2 3.37Å; N766-Y770 PolarHBondContact O-N 2.91Å; T767-Y770 PolarHBondContact O-N 3.4Å; A768-Y770 VanDerWaalsContact C-N 3.27Å; A768-Y770 PolarHBondContact O-N 3.47Å; Y770-R772 PolarHBondContact O-N 2.96Å; Y770-L773 HydrophobicContact CD1-CD1 3.79Å; Y770-L773 WeakPolarHBondContact O-CB 3.22Å; Y770-L773 PolarHBondContact O-N 3.47Å; Y770-L837 HydrophobicContact CD1-CD1 4.07Å; Y770-L837 HydrophobicContact CD1-CD2 3.76Å; Y770-L837 HydrophobicContact CD1-CG 4.49Å; Y770-L837 HydrophobicContact CD2-CD2 4.47Å; Y770-L837 HydrophobicContact CE1-CB 4.39Å; Y770-L837 HydrophobicContact CE1-CD1 4.11Å; Y770-L837 HydrophobicContact CE1-CD2 3.74Å; Y770-L837 HydrophobicContact CE1-CG 4.3Å; Y770-L837 HydrophobicContact CE2-CD2 4.41Å; Y770-L837 HydrophobicContact CG-CD2 4.14Å; Y770-E841 HydrophobicContact CE2-CB 3.96Å; Y770-E841 HydrophobicContact CE2-CG 4.33Å
771	L	94.7	Very high	93.4	Very high	60 Å²	60	35.8 Å²	35.8	31%	0.314	22%	0.216	S	C	.	.	H	α-helix	trans	-58.4	-18.8	170.6	-65.8	176	0	0	0	113	M544 V548 A768 S769 L773 W774 A775	M544-L771 HydrophobicContact CG-CD2 3.91Å; V548-L771 HydrophobicContact CG2-CD2 4.19Å; A768-L771 WeakPolarHBondContact O-CB 3.45Å; A768-L771 WeakPolarHBondContact O-CG 3.37Å; A768-L771 PolarHBondContact O-N 3.18Å; S769-L771 PolarHBondContact O-N 3.24Å; S769-L771 VanDerWaalsContact O-N 3.1Å; L771-L773 VanDerWaalsContact C-N 3.26Å; L771-L773 PolarHBondContact O-N 2.69Å; L771-W774 HydrophobicContact CB-CE3 4.26Å; L771-W774 HydrophobicContact CD2-CE3 4.18Å; L771-W774 WeakPolarHBondContact O-CB 3.26Å; L771-W774 PolarHBondContact O-N 2.86Å; L771-W774 VanDerWaalsContact O-N 3.11Å; L771-A775 PolarHBondContact O-N 2.9Å
772	R	95.4	Very high	93.5	Very high	43 Å²	43	33.4 Å²	33.4	16%	0.162	20%	0.202	C	C	.	.	H	α-helix	trans	-55.8	-37.9	170.9	-69.4	-176.4	-129.5	123.6	-8.4	113	M413 S769 Y770 W774 A775 L776 H833 R836 E841	M413-R772 HydrophobicContact CE-CB 4.2Å; S769-R772 WeakPolarHBondContact O-CB 3.42Å; S769-R772 VanDerWaalsContact O-CG 3.25Å; S769-R772 WeakPolarHBondContact O-CG 3.15Å; S769-R772 PolarHBondContact O-N 3.34Å; S769-R772 VanDerWaalsContact O-N 3.08Å; S769-R772 PolarHBondContact OG-NH1 3.39Å; S769-R772 VanDerWaalsContact OG-NH1 3.08Å; S769-R772 PolarHBondContact OG-NH2 3.38Å; Y770-R772 PolarHBondContact O-N 2.96Å; R772-W774 PolarHBondContact O-N 3.28Å; R772-A775 PolarHBondContact O-N 3.41Å; R772-L776 WeakPolarHBondContact O-CB 3.22Å; R772-L776 PolarHBondContact O-N 3.12Å; R772-H833 WeakPolarHBondContact CD-ND1 3.32Å; R772-R836 VanDerWaalsContact NH2-NE 3.2Å; R772-E841 IonicContact CZ-OE1 2.73Å; R772-E841 IonicContact NH1-OE1 3.93Å; R772-E841 PolarHBondContact NH1-OE1 3.29Å; R772-E841 IonicContact NH2-OE1 3.14Å; R772-E841 PolarHBondContact NH2-OE1 3.05Å
773	L	95.4	Very high	93.6	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-55	-46	176.1	-67.8	167.5	0	0	0	110.3	L409 V412 M413 L550 Y770 L771 S777 L837	L409-L773 HydrophobicContact CB-CD2 4.24Å; L409-L773 HydrophobicContact CD2-CD1 4.11Å; L409-L773 HydrophobicContact CD2-CD2 4.06Å; V412-L773 HydrophobicContact CB-CD2 4.27Å; V412-L773 HydrophobicContact CG1-CB 4.09Å; V412-L773 HydrophobicContact CG1-CD2 4.17Å; M413-L773 HydrophobicContact CE-CD2 3.7Å; M413-L773 HydrophobicContact CE-CG 4.17Å; M413-L773 HydrophobicContact CG-CD2 3.94Å; M413-L773 HydrophobicContact SD-CD2 4.38Å; L550-L773 HydrophobicContact CB-CD1 4.42Å; Y770-L773 HydrophobicContact CD1-CD1 3.79Å; Y770-L773 WeakPolarHBondContact O-CB 3.22Å; Y770-L773 PolarHBondContact O-N 3.47Å; L771-L773 VanDerWaalsContact C-N 3.26Å; L771-L773 PolarHBondContact O-N 2.69Å; L773-S777 VanDerWaalsContact O-CB 3.23Å; L773-S777 WeakPolarHBondContact O-CB 3.48Å; L773-S777 PolarHBondContact O-N 3.38Å; L773-S777 PolarHBondContact O-OG 2.95Å; L773-L837 HydrophobicContact CD2-CD1 3.99Å; L773-L837 HydrophobicContact CG-CD1 4.08Å
774	W	95.5	Very high	93.7	Very high	59 Å²	59	36 Å²	36	22%	0.223	21%	0.212	C	C	.	.	H	α-helix	trans	-67.8	-52.4	177.2	157.5	52.8	0	0	0	111.8	N540 K543 M544 L771 R772 L776 S777 L778	N540-W774 WeakPolarHBondContact OD1-CZ2 3.36Å; N540-W774 PolarHBondContact OD1-NE1 2.93Å; K543-W774 HydrophobicContact CB-CB 4.43Å; K543-W774 HydrophobicContact CB-CG 4.29Å; M544-W774 HydrophobicContact CB-CD2 4.05Å; M544-W774 HydrophobicContact CB-CE3 4.44Å; M544-W774 HydrophobicContact CB-CG 4.14Å; M544-W774 HydrophobicContact CG-CD2 4.38Å; M544-W774 HydrophobicContact CG-CE3 4.27Å; L771-W774 HydrophobicContact CB-CE3 4.26Å; L771-W774 HydrophobicContact CD2-CE3 4.18Å; L771-W774 WeakPolarHBondContact O-CB 3.26Å; L771-W774 PolarHBondContact O-N 2.86Å; L771-W774 VanDerWaalsContact O-N 3.11Å; R772-W774 PolarHBondContact O-N 3.28Å; W774-L776 PolarHBondContact O-N 3.16Å; W774-S777 PolarHBondContact O-N 3.39Å; W774-S777 PolarHBondContact O-OG 2.8Å; W774-L778 PolarHBondContact O-N 3.11Å
775	A	95	Very high	93.7	Very high	51 Å²	51	33.9 Å²	33.9	42%	0.421	20%	0.2	S	C	.	.	H	α-helix	trans	-57.9	-46.9	-174.4	0	0	0	0	0	112.5	L771 R772 L778 A779	L771-A775 PolarHBondContact O-N 2.9Å; R772-A775 PolarHBondContact O-N 3.41Å; A775-L778 PolarHBondContact O-N 3.25Å; A775-A779 WeakPolarHBondContact O-CB 3.28Å; A775-A779 PolarHBondContact O-N 3.42Å
776	L	94.9	Very high	93.6	Very high	27 Å²	27	33.4 Å²	33.4	14%	0.141	19%	0.194	C	C	.	.	H	α-helix	trans	-69.4	-40.8	179	-68.5	167.7	0	0	0	111.9	M413 R772 W774 L778 A779 H780 H833	M413-L776 HydrophobicContact CB-CB 4.2Å; M413-L776 HydrophobicContact CE-CD1 3.97Å; M413-L776 HydrophobicContact CG-CB 4.2Å; M413-L776 HydrophobicContact CG-CD1 4.19Å; M413-L776 HydrophobicContact SD-CD1 3.71Å; R772-L776 WeakPolarHBondContact O-CB 3.22Å; R772-L776 PolarHBondContact O-N 3.12Å; W774-L776 PolarHBondContact O-N 3.16Å; L776-L778 PolarHBondContact O-N 2.77Å; L776-A779 PolarHBondContact O-N 3.28Å; L776-H780 WeakPolarHBondContact O-CB 3.08Å; L776-H780 PolarHBondContact O-N 2.77Å; L776-H833 HydrophobicContact CD1-CB 3.74Å; L776-H833 VanDerWaalsContact CD1-CD2 3.44Å; L776-H833 WeakPolarHBondContact CD1-CD2 3.47Å
777	S	94.5	Very high	93.6	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-63.5	-27.5	176.2	78	0	0	0	0	113.4	V412 M413 K543 L773 W774 A781	V412-S777 WeakPolarHBondContact O-CB 3.18Å; M413-S777 VanDerWaalsContact O-CA 3.29Å; M413-S777 WeakPolarHBondContact O-CA 3.31Å; K543-S777 WeakPolarHBondContact CD-OG 3.31Å; K543-S777 PolarHBondContact NZ-O 3.3Å; L773-S777 VanDerWaalsContact O-CB 3.23Å; L773-S777 WeakPolarHBondContact O-CB 3.48Å; L773-S777 PolarHBondContact O-N 3.38Å; L773-S777 PolarHBondContact O-OG 2.95Å; W774-S777 PolarHBondContact O-N 3.39Å; W774-S777 PolarHBondContact O-OG 2.8Å; S777-A781 WeakPolarHBondContact O-CB 2.98Å
778	L	92.7	Very high	93.6	Very high	43 Å²	43	35.8 Å²	35.8	23%	0.225	20%	0.202	C	C	.	.	H	α-helix	trans	-80.6	-45.4	175.7	-170.1	153.7	0	0	0	110.1	N540 W774 A775 L776 H780 A781 Q782	N540-L778 HydrophobicContact CB-CD1 4.21Å; W774-L778 PolarHBondContact O-N 3.11Å; A775-L778 PolarHBondContact O-N 3.25Å; L776-L778 PolarHBondContact O-N 2.77Å; L778-H780 VanDerWaalsContact C-N 3.34Å; L778-H780 PolarHBondContact O-N 2.9Å; L778-A781 PolarHBondContact O-N 3.27Å; L778-Q782 HydrophobicContact CD2-CG 3.86Å; L778-Q782 WeakPolarHBondContact O-CB 3.24Å; L778-Q782 WeakPolarHBondContact O-CG 3.29Å; L778-Q782 PolarHBondContact O-N 3.42Å
779	A	93.8	Very high	93.4	Very high	45 Å²	45	35.2 Å²	35.2	37%	0.372	20%	0.195	S	C	.	.	H	α-helix	trans	-57.9	-46.3	176.3	0	0	0	0	0	111.7	A775 L776 A781 Q782 L783	A775-A779 WeakPolarHBondContact O-CB 3.28Å; A775-A779 PolarHBondContact O-N 3.42Å; L776-A779 PolarHBondContact O-N 3.28Å; A779-A781 PolarHBondContact O-N 2.65Å; A779-Q782 PolarHBondContact O-N 2.64Å; A779-L783 VanDerWaalsContact O-CB 3.31Å; A779-L783 WeakPolarHBondContact O-CB 3.35Å; A779-L783 PolarHBondContact O-N 3.19Å
780	H	93.7	Very high	93.2	Very high	5 Å²	5	41.1 Å²	41.1	2%	0.023	22%	0.223	C	C	.	.	H	α-helix	trans	-58.9	-49.7	178	-175.9	72.7	0	0	0	112.2	F414 H419 L776 L778 Q782 L783 S784	F414-H780 AromaticContact CD2-CE1 3.64Å; F414-H780 AromaticContact CD2-ND1 3.81Å; F414-H780 AromaticContact CE2-CE1 3.15Å; F414-H780 WeakPolarHBondContact CE2-CE1 3.37Å; F414-H780 AromaticContact CE2-ND1 3.6Å; F414-H780 AromaticContact CE2-NE2 3.87Å; F414-H780 AromaticContact CZ-CE1 3.61Å; H419-H780 AromaticContact CE1-CE1 3.93Å; H419-H780 AromaticContact CE1-NE2 3.78Å; H419-H780 AromaticContact ND1-CE1 3.36Å; H419-H780 PolarHBondContact ND1-CE1 3.25Å; H419-H780 AromaticContact ND1-NE2 3.06Å; H419-H780 PolarHBondContact ND1-NE2 3.18Å; L776-H780 WeakPolarHBondContact O-CB 3.08Å; L776-H780 PolarHBondContact O-N 2.77Å; L778-H780 VanDerWaalsContact C-N 3.34Å; L778-H780 PolarHBondContact O-N 2.9Å; H780-Q782 PolarHBondContact O-N 2.74Å; H780-L783 PolarHBondContact O-N 3.32Å; H780-S784 PolarHBondContact O-N 3.44Å; H780-S784 PolarHBondContact O-OG 3Å
781	A	92.1	Very high	92.9	Very high	15 Å²	15	42.2 Å²	42.2	12%	0.124	23%	0.229	C	C	.	.	H	α-helix	trans	-66.5	-34	179.8	0	0	0	0	0	113	S777 L778 A779 S784 E785	S777-A781 WeakPolarHBondContact O-CB 2.98Å; L778-A781 PolarHBondContact O-N 3.27Å; A779-A781 PolarHBondContact O-N 2.65Å; A781-S784 PolarHBondContact O-OG 3.32Å; A781-E785 WeakPolarHBondContact O-CB 3.49Å; A781-E785 PolarHBondContact O-N 3.49Å
782	Q	92.6	Very high	92.5	Very high	63 Å²	63	40 Å²	40	29%	0.294	22%	0.217	S	C	.	.	H	α-helix	trans	-73.7	-40.3	175.9	-70.4	-59.8	-75.9	0	0	111.7	L778 A779 H780 E785 V786	L778-Q782 HydrophobicContact CD2-CG 3.86Å; L778-Q782 WeakPolarHBondContact O-CB 3.24Å; L778-Q782 WeakPolarHBondContact O-CG 3.29Å; L778-Q782 PolarHBondContact O-N 3.42Å; A779-Q782 PolarHBondContact O-N 2.64Å; H780-Q782 PolarHBondContact O-N 2.74Å; Q782-E785 PolarHBondContact NE2-OE2 3.33Å; Q782-E785 PolarHBondContact O-N 3.37Å; Q782-V786 WeakPolarHBondContact O-CG2 3.32Å; Q782-V786 PolarHBondContact O-N 2.94Å
783	L	92.5	Very high	92.1	Very high	68 Å²	68	44.3 Å²	44.3	36%	0.356	23%	0.233	S	C	.	.	H	α-helix	trans	-65.9	-39.5	178.6	-168.3	65.6	0	0	0	111.6	A779 H780 V786 L787 I821 L822 E826	A779-L783 VanDerWaalsContact O-CB 3.31Å; A779-L783 WeakPolarHBondContact O-CB 3.35Å; A779-L783 PolarHBondContact O-N 3.19Å; H780-L783 PolarHBondContact O-N 3.32Å; L783-V786 PolarHBondContact O-N 3.24Å; L783-L787 WeakPolarHBondContact O-CB 3.29Å; L783-L787 PolarHBondContact O-N 3.5Å; L783-I821 HydrophobicContact CD2-CG2 4.08Å; L783-L822 HydrophobicContact CB-CD2 4.04Å; L783-L822 HydrophobicContact CD2-CD2 3.65Å; L783-L822 HydrophobicContact CG-CD2 3.81Å; L783-E826 HydrophobicContact CD2-CG 4.14Å
784	S	92.1	Very high	91.5	Very high	4 Å²	4	49.9 Å²	49.9	3%	0.028	26%	0.261	C	S	.	.	H	α-helix	trans	-63.4	-41.6	174.2	66.4	0	0	0	0	112	H780 A781 L787 W788	H780-S784 PolarHBondContact O-N 3.44Å; H780-S784 PolarHBondContact O-OG 3Å; A781-S784 PolarHBondContact O-OG 3.32Å; S784-L787 PolarHBondContact O-N 3.09Å; S784-W788 WeakPolarHBondContact O-CB 3.22Å; S784-W788 PolarHBondContact O-N 3.19Å
785	E	91.3	Very high	90.9	Very high	53 Å²	53	47.1 Å²	47.1	25%	0.248	25%	0.251	C	S	.	.	H	α-helix	trans	-64.4	-42.4	175.6	-179.8	177.6	-175.2	0	0	113	K535 A781 Q782 L787 W788 S789	K535-E785 WeakPolarHBondContact CE-OE2 3.39Å; K535-E785 IonicContact NZ-OE1 2.9Å; K535-E785 PolarHBondContact NZ-OE1 3.23Å; K535-E785 IonicContact NZ-OE2 3.34Å; K535-E785 PolarHBondContact NZ-OE2 3.13Å; A781-E785 WeakPolarHBondContact O-CB 3.49Å; A781-E785 PolarHBondContact O-N 3.49Å; Q782-E785 PolarHBondContact NE2-OE2 3.33Å; Q782-E785 PolarHBondContact O-N 3.37Å; E785-L787 VanDerWaalsContact C-N 3.33Å; E785-W788 PolarHBondContact O-N 3.44Å; E785-S789 VanDerWaalsContact O-CB 3.31Å; E785-S789 WeakPolarHBondContact O-CB 3.44Å; E785-S789 PolarHBondContact O-N 3.21Å; E785-S789 PolarHBondContact O-OG 3.3Å
786	V	92.3	Very high	90.4	Very high	66 Å²	66	49.8 Å²	49.8	40%	0.4	26%	0.258	S	S	.	.	H	α-helix	trans	-61.9	-44.6	175	174.5	0	0	0	0	110.3	Q782 L783 W788 S789 M790	Q782-V786 WeakPolarHBondContact O-CG2 3.32Å; Q782-V786 PolarHBondContact O-N 2.94Å; L783-V786 PolarHBondContact O-N 3.24Å; V786-W788 PolarHBondContact O-N 3.42Å; V786-S789 WeakPolarHBondContact CA-OG 3.36Å; V786-S789 PolarHBondContact O-N 2.75Å; V786-S789 PolarHBondContact O-OG 3.01Å; V786-S789 VanDerWaalsContact O-OG 3.12Å; V786-M790 HydrophobicContact CG1-CE 3.99Å; V786-M790 HydrophobicContact CG1-CG 4.14Å; V786-M790 HydrophobicContact CG1-SD 3.77Å; V786-M790 WeakPolarHBondContact O-CB 3.32Å; V786-M790 WeakPolarHBondContact O-CG 3.41Å; V786-M790 PolarHBondContact O-N 2.97Å
787	L	91.7	Very high	89.9	Confident	26 Å²	26	57.7 Å²	57.7	14%	0.136	29%	0.285	C	S	.	.	H	α-helix	trans	-62.2	-42.6	179	-168.3	72.1	0	0	0	111.8	L783 S784 E785 V791 L817 T818 L822	L783-L787 WeakPolarHBondContact O-CB 3.29Å; L783-L787 PolarHBondContact O-N 3.5Å; S784-L787 PolarHBondContact O-N 3.09Å; E785-L787 VanDerWaalsContact C-N 3.33Å; L787-V791 HydrophobicContact CD1-CG2 4.18Å; L787-V791 VanDerWaalsContact O-CB 3.31Å; L787-V791 WeakPolarHBondContact O-CB 2.99Å; L787-V791 WeakPolarHBondContact O-CG2 3.1Å; L787-V791 PolarHBondContact O-N 3.39Å; L787-V791 VanDerWaalsContact O-N 3.1Å; L787-L817 HydrophobicContact CD1-CB 3.97Å; L787-L817 HydrophobicContact CD1-CD1 3.82Å; L787-L817 HydrophobicContact CD2-CB 4.37Å; L787-T818 WeakPolarHBondContact CD2-OG1 3.45Å; L787-L822 HydrophobicContact CD2-CD1 3.62Å; L787-L822 HydrophobicContact CD2-CG 4.5Å
788	W	91.6	Very high	89.3	Confident	49 Å²	49	60.9 Å²	60.9	19%	0.186	30%	0.302	C	S	.	.	I	π-helix	trans	-65.3	-46.2	176.2	-177.9	-95.6	0	0	0	112.6	S476 L477 S784 E785 V786 M792 R793 L796 W814	S476-W788 WeakPolarHBondContact OG-CB 3.49Å; L477-W788 HydrophobicContact CD1-CH2 3.88Å; L477-W788 HydrophobicContact CD1-CZ2 3.65Å; L477-W788 HydrophobicContact CD2-CZ2 4.38Å; L477-W788 HydrophobicContact CG-CZ2 4.27Å; S784-W788 WeakPolarHBondContact O-CB 3.22Å; S784-W788 PolarHBondContact O-N 3.19Å; E785-W788 PolarHBondContact O-N 3.44Å; V786-W788 PolarHBondContact O-N 3.42Å; W788-M792 HydrophobicContact CD2-CB 3.94Å; W788-M792 HydrophobicContact CD2-CG 4.38Å; W788-M792 HydrophobicContact CE3-CB 3.9Å; W788-M792 HydrophobicContact CE3-CG 3.84Å; W788-M792 HydrophobicContact CG-CB 4.46Å; W788-M792 HydrophobicContact CH2-CB 4.45Å; W788-M792 HydrophobicContact CZ2-CB 4.48Å; W788-M792 HydrophobicContact CZ3-CB 4.17Å; W788-M792 HydrophobicContact CZ3-CG 3.98Å; W788-M792 WeakPolarHBondContact O-CB 3.37Å; W788-M792 PolarHBondContact O-N 3.01Å; W788-M792 VanDerWaalsContact O-N 3.11Å; W788-R793 PolarHBondContact O-N 2.74Å; W788-L796 HydrophobicContact CZ2-CD1 4.42Å; W788-W814 HydrophobicContact CE3-CZ2 4.1Å; W788-W814 HydrophobicContact CZ3-CZ2 4.28Å
789	S	90.2	Very high	88.8	Confident	44 Å²	44	64.4 Å²	64.4	31%	0.308	33%	0.33	S	S	.	.	I	π-helix	trans	-72.1	-33.8	-176.5	61.5	0	0	0	0	113.7	E785 V786 R793	E785-S789 VanDerWaalsContact O-CB 3.31Å; E785-S789 WeakPolarHBondContact O-CB 3.44Å; E785-S789 PolarHBondContact O-N 3.21Å; E785-S789 PolarHBondContact O-OG 3.3Å; V786-S789 WeakPolarHBondContact CA-OG 3.36Å; V786-S789 PolarHBondContact O-N 2.75Å; V786-S789 PolarHBondContact O-OG 3.01Å; V786-S789 VanDerWaalsContact O-OG 3.12Å; S789-R793 WeakPolarHBondContact O-CB 3.15Å
790	M	89	Confident	88.2	Confident	139 Å²	139	65 Å²	65	69%	0.685	34%	0.34	S	S	*	.	I	π-helix	trans	-82.7	-36	178.6	-71.2	-168.7	173.1	0	0	113	V786	V786-M790 HydrophobicContact CG1-CE 3.99Å; V786-M790 HydrophobicContact CG1-CG 4.14Å; V786-M790 HydrophobicContact CG1-SD 3.77Å; V786-M790 WeakPolarHBondContact O-CB 3.32Å; V786-M790 WeakPolarHBondContact O-CG 3.41Å; V786-M790 PolarHBondContact O-N 2.97Å
791	V	89	Confident	87.5	Confident	22 Å²	22	73 Å²	73	13%	0.133	38%	0.382	C	S	.	.	I	π-helix	trans	-101.2	-65.5	-173.3	-173.1	0	0	0	0	111.4	L787 R793 M794 G795 I810 F813 W814	L787-V791 HydrophobicContact CD1-CG2 4.18Å; L787-V791 VanDerWaalsContact O-CB 3.31Å; L787-V791 WeakPolarHBondContact O-CB 2.99Å; L787-V791 WeakPolarHBondContact O-CG2 3.1Å; L787-V791 PolarHBondContact O-N 3.39Å; L787-V791 VanDerWaalsContact O-N 3.1Å; V791-R793 PolarHBondContact O-N 2.99Å; V791-M794 PolarHBondContact O-N 3.45Å; V791-G795 PolarHBondContact O-N 3.29Å; V791-I810 HydrophobicContact CG1-CG2 3.7Å; V791-I810 WeakPolarHBondContact O-CG2 3.33Å; V791-F813 HydrophobicContact CG1-CD1 4.07Å; V791-W814 HydrophobicContact CB-CB 4.49Å; V791-W814 HydrophobicContact CG1-CB 3.8Å
792	M	87.3	Confident	87	Confident	13 Å²	13	80.7 Å²	80.7	6%	0.064	41%	0.409	C	S	.	.	I	π-helix	trans	-66.9	-39.3	-172	-74.3	-58.9	-61.3	0	0	113.3	W788 M794 G795 L796 L807 F811 W814	W788-M792 HydrophobicContact CD2-CB 3.94Å; W788-M792 HydrophobicContact CD2-CG 4.38Å; W788-M792 HydrophobicContact CE3-CB 3.9Å; W788-M792 HydrophobicContact CE3-CG 3.84Å; W788-M792 HydrophobicContact CG-CB 4.46Å; W788-M792 HydrophobicContact CH2-CB 4.45Å; W788-M792 HydrophobicContact CZ2-CB 4.48Å; W788-M792 HydrophobicContact CZ3-CB 4.17Å; W788-M792 HydrophobicContact CZ3-CG 3.98Å; W788-M792 WeakPolarHBondContact O-CB 3.37Å; W788-M792 PolarHBondContact O-N 3.01Å; W788-M792 VanDerWaalsContact O-N 3.11Å; M792-M794 VanDerWaalsContact C-N 3.26Å; M792-M794 PolarHBondContact O-N 2.95Å; M792-G795 PolarHBondContact O-N 3.43Å; M792-L796 WeakPolarHBondContact O-CG 3.31Å; M792-L796 PolarHBondContact O-N 2.91Å; M792-L796 VanDerWaalsContact O-N 3.09Å; M792-L807 HydrophobicContact CE-CD1 4.39Å; M792-F811 HydrophobicContact CE-CD2 4.02Å; M792-F811 HydrophobicContact SD-CB 4.43Å; M792-F811 HydrophobicContact SD-CD2 4.08Å; M792-W814 HydrophobicContact CG-CB 4.1Å; M792-W814 HydrophobicContact CG-CD2 3.75Å; M792-W814 HydrophobicContact CG-CG 3.51Å; M792-W814 HydrophobicContact SD-CB 3.83Å; M792-W814 HydrophobicContact SD-CD2 3.98Å; M792-W814 HydrophobicContact SD-CE3 4.28Å; M792-W814 HydrophobicContact SD-CG 3.77Å
793	R	86.2	Confident	86.6	Confident	134 Å²	134	77.9 Å²	77.9	51%	0.506	40%	0.397	S	S	.	.	H	α-helix	trans	-63.1	-31.9	178.1	-172.1	179.4	-68.9	-162.2	-0.3	112.8	W788 S789 V791 R797	W788-R793 PolarHBondContact O-N 2.74Å; S789-R793 WeakPolarHBondContact O-CB 3.15Å; V791-R793 PolarHBondContact O-N 2.99Å; R793-R797 WeakPolarHBondContact O-CG 3.28Å; R793-R797 PolarHBondContact O-N 3.48Å
794	M	84.2	Confident	86.3	Confident	118 Å²	118	76.7 Å²	76.7	58%	0.581	40%	0.401	S	S	*	.	H	α-helix	trans	-67.3	-42.6	176.1	-172.3	64.6	78.3	0	0	110.8	V791 M792 R797	V791-M794 PolarHBondContact O-N 3.45Å; M792-M794 VanDerWaalsContact C-N 3.26Å; M792-M794 PolarHBondContact O-N 2.95Å; M794-R797 PolarHBondContact O-N 3.12Å
795	G	82.3	Confident	86.1	Confident	2 Å²	2	80.6 Å²	80.6	2%	0.021	43%	0.425	C	S	.	.	H	α-helix	trans	-65	-37.8	177.6	0	0	0	0	0	113.6	V791 M792 R797	V791-G795 PolarHBondContact O-N 3.29Å; M792-G795 PolarHBondContact O-N 3.43Å; G795-R797 VanDerWaalsContact C-N 3.3Å; G795-R797 PolarHBondContact O-N 2.92Å
796	L	84.8	Confident	85.9	Confident	107 Å²	107	79.5 Å²	79.5	56%	0.56	42%	0.422	S	S	*	.	H	α-helix	trans	-72.5	-16.9	-179.2	-70.2	168	0	0	0	114.4	W788 M792 L807	W788-L796 HydrophobicContact CZ2-CD1 4.42Å; M792-L796 WeakPolarHBondContact O-CG 3.31Å; M792-L796 PolarHBondContact O-N 2.91Å; M792-L796 VanDerWaalsContact O-N 3.09Å; L796-L807 HydrophobicContact CD2-CD1 4.32Å
797	R	84.5	Confident	85.7	Confident	192 Å²	192	79 Å²	79	73%	0.725	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-19.2	179	-79.5	-179.7	172.1	-171.5	-2.3	113.7	R793 M794 G795 S799	R793-R797 WeakPolarHBondContact O-CG 3.28Å; R793-R797 PolarHBondContact O-N 3.48Å; M794-R797 PolarHBondContact O-N 3.12Å; G795-R797 VanDerWaalsContact C-N 3.3Å; G795-R797 PolarHBondContact O-N 2.92Å; R797-S799 PolarHBondContact O-N 3.14Å
798	I	82.1	Confident	85.6	Confident	71 Å²	71	80.6 Å²	80.6	36%	0.364	43%	0.434	S	S	.	.			trans	-86.4	109.8	-176	-56.6	171.8	0	0	0	108.7	V806	I798-V806 HydrophobicContact CD1-CG1 3.91Å
799	S	80.8	Confident	85.6	Confident	116 Å²	116	85.5 Å²	85.5	81%	0.811	46%	0.457	S	S	*	.			trans	-84.6	147.2	176.1	53.9	0	0	0	0	112.1	R797	R797-S799 PolarHBondContact O-N 3.14Å
800	G	81	Confident	85.6	Confident	57 Å²	57	85.1 Å²	85.1	59%	0.588	45%	0.451	S	S	*	.	S	Bend	trans	114.2	170.9	174.3	0	0	0	0	0	115.2	Y802 G803 G804	G800-Y802 VanDerWaalsContact C-N 3.3Å; G800-Y802 PolarHBondContact O-N 3.45Å; G800-G803 WeakPolarHBondContact O-CA 3.49Å; G800-G803 PolarHBondContact O-N 3.25Å; G800-G804 PolarHBondContact O-N 2.92Å
801	L	79.2	Confident	85.7	Confident	173 Å²	173	83.5 Å²	83.5	91%	0.906	44%	0.44	S	S	*	.	H	α-helix	trans	-58	-40	177.3	-91.4	151.1	0	0	0	112.5	G803 G804	L801-G803 VanDerWaalsContact C-N 3.27Å; L801-G803 PolarHBondContact O-N 3Å; L801-G804 PolarHBondContact O-N 3.13Å; L801-G804 VanDerWaalsContact O-N 3.13Å
802	Y	81.7	Confident	85.9	Confident	178 Å²	178	84.8 Å²	84.8	70%	0.698	45%	0.453	S	S	*	.	H	α-helix	trans	-60.2	-37.4	172.1	178	-100.5	0	0	0	112.1	G800 G804 V805 V806	G800-Y802 VanDerWaalsContact C-N 3.3Å; G800-Y802 PolarHBondContact O-N 3.45Å; Y802-G804 PolarHBondContact O-N 3.36Å; Y802-V805 PolarHBondContact O-N 3.36Å; Y802-V806 HydrophobicContact CD1-CG2 3.97Å; Y802-V806 HydrophobicContact CE1-CG2 3.49Å; Y802-V806 VanDerWaalsContact CE1-CG2 3.49Å; Y802-V806 HydrophobicContact CE2-CG2 4.2Å; Y802-V806 WeakPolarHBondContact O-CG2 3.19Å; Y802-V806 PolarHBondContact O-N 3.35Å; Y802-V806 VanDerWaalsContact O-N 3.1Å
803	G	84.5	Confident	86.1	Confident	4 Å²	4	89.9 Å²	89.9	4%	0.041	48%	0.475	C	S	.	.	H	α-helix	trans	-58.6	-35	174.3	0	0	0	0	0	112.6	G800 L801 V806 L807	G800-G803 WeakPolarHBondContact O-CA 3.49Å; G800-G803 PolarHBondContact O-N 3.25Å; L801-G803 VanDerWaalsContact C-N 3.27Å; L801-G803 PolarHBondContact O-N 3Å; G803-V806 PolarHBondContact O-N 2.71Å; G803-L807 WeakPolarHBondContact O-CB 3.41Å; G803-L807 PolarHBondContact O-N 2.87Å
804	G	86.2	Confident	86.4	Confident	43 Å²	43	84.5 Å²	84.5	44%	0.443	46%	0.455	S	S	.	.	H	α-helix	trans	-62.8	-43.5	175.5	0	0	0	0	0	113.7	G800 L801 Y802 L807 A808	G800-G804 PolarHBondContact O-N 2.92Å; L801-G804 PolarHBondContact O-N 3.13Å; L801-G804 VanDerWaalsContact O-N 3.13Å; Y802-G804 PolarHBondContact O-N 3.36Å; G804-L807 PolarHBondContact O-N 2.89Å; G804-A808 PolarHBondContact O-N 3.36Å; G804-A808 VanDerWaalsContact O-N 3.13Å
805	V	87.1	Confident	86.8	Confident	86 Å²	86	80.3 Å²	80.3	52%	0.521	44%	0.438	S	S	.	.	H	α-helix	trans	-67.5	-45	177.5	179.7	0	0	0	0	110.7	Y802 L807 A808 F809	Y802-V805 PolarHBondContact O-N 3.36Å; V805-L807 VanDerWaalsContact C-N 3.32Å; V805-L807 PolarHBondContact O-N 3.41Å; V805-A808 WeakPolarHBondContact O-CB 3.32Å; V805-A808 PolarHBondContact O-N 2.84Å; V805-F809 HydrophobicContact CG1-CD2 4.23Å; V805-F809 HydrophobicContact CG1-CE2 3.94Å; V805-F809 WeakPolarHBondContact O-CD2 3.38Å; V805-F809 PolarHBondContact O-N 3.17Å
806	V	87.7	Confident	87.3	Confident	29 Å²	29	84.4 Å²	84.4	18%	0.176	46%	0.463	C	S	.	.	H	α-helix	trans	-62.5	-41	177.2	174.4	0	0	0	0	111.2	I798 Y802 G803 A808 F809 I810	I798-V806 HydrophobicContact CD1-CG1 3.91Å; Y802-V806 HydrophobicContact CD1-CG2 3.97Å; Y802-V806 HydrophobicContact CE1-CG2 3.49Å; Y802-V806 VanDerWaalsContact CE1-CG2 3.49Å; Y802-V806 HydrophobicContact CE2-CG2 4.2Å; Y802-V806 WeakPolarHBondContact O-CG2 3.19Å; Y802-V806 PolarHBondContact O-N 3.35Å; Y802-V806 VanDerWaalsContact O-N 3.1Å; G803-V806 PolarHBondContact O-N 2.71Å; V806-A808 VanDerWaalsContact C-N 3.29Å; V806-A808 PolarHBondContact O-N 3.3Å; V806-F809 PolarHBondContact O-N 3.42Å; V806-I810 HydrophobicContact CG1-CD1 3.68Å; V806-I810 HydrophobicContact CG1-CG1 4.31Å; V806-I810 WeakPolarHBondContact O-CG1 3.42Å; V806-I810 PolarHBondContact O-N 3.37Å
807	L	89.5	Confident	87.7	Confident	55 Å²	55	81.3 Å²	81.3	29%	0.288	45%	0.447	S	S	.	.	H	α-helix	trans	-60.2	-38.5	176	-178.1	67.2	0	0	0	111.6	M792 L796 G803 G804 V805 I810 F811	M792-L807 HydrophobicContact CE-CD1 4.39Å; L796-L807 HydrophobicContact CD2-CD1 4.32Å; G803-L807 WeakPolarHBondContact O-CB 3.41Å; G803-L807 PolarHBondContact O-N 2.87Å; G804-L807 PolarHBondContact O-N 2.89Å; V805-L807 VanDerWaalsContact C-N 3.32Å; V805-L807 PolarHBondContact O-N 3.41Å; L807-I810 PolarHBondContact O-N 2.84Å; L807-F811 WeakPolarHBondContact O-CB 3.37Å; L807-F811 PolarHBondContact O-N 3.48Å
808	A	88.8	Confident	88.1	Confident	61 Å²	61	72.3 Å²	72.3	50%	0.504	41%	0.413	S	S	.	.	H	α-helix	trans	-63.1	-43.1	177	0	0	0	0	0	112.4	G804 V805 V806 F811 A812	G804-A808 PolarHBondContact O-N 3.36Å; G804-A808 VanDerWaalsContact O-N 3.13Å; V805-A808 WeakPolarHBondContact O-CB 3.32Å; V805-A808 PolarHBondContact O-N 2.84Å; V806-A808 VanDerWaalsContact C-N 3.29Å; V806-A808 PolarHBondContact O-N 3.3Å; A808-F811 PolarHBondContact O-N 3.39Å; A808-A812 WeakPolarHBondContact O-CB 3.41Å; A808-A812 PolarHBondContact O-N 3.4Å
809	F	90.7	Very high	88.6	Confident	152 Å²	152	72.3 Å²	72.3	67%	0.667	42%	0.416	S	S	*	.	H	α-helix	trans	-66.5	-43.2	175.6	-77.1	-73.4	0	0	0	112.4	V805 V806 F811 A812 F813	V805-F809 HydrophobicContact CG1-CD2 4.23Å; V805-F809 HydrophobicContact CG1-CE2 3.94Å; V805-F809 WeakPolarHBondContact O-CD2 3.38Å; V805-F809 PolarHBondContact O-N 3.17Å; V806-F809 PolarHBondContact O-N 3.42Å; F809-F811 VanDerWaalsContact C-N 3.34Å; F809-A812 PolarHBondContact O-N 2.99Å; F809-F813 PolarHBondContact O-N 3.16Å
810	I	91	Very high	89.2	Confident	35 Å²	35	69.6 Å²	69.6	18%	0.179	40%	0.397	C	S	.	.	H	α-helix	trans	-64.3	-41.2	177	-68.7	173.7	0	0	0	110.6	V791 V806 L807 F813 W814	V791-I810 HydrophobicContact CG1-CG2 3.7Å; V791-I810 WeakPolarHBondContact O-CG2 3.33Å; V806-I810 HydrophobicContact CG1-CD1 3.68Å; V806-I810 HydrophobicContact CG1-CG1 4.31Å; V806-I810 WeakPolarHBondContact O-CG1 3.42Å; V806-I810 PolarHBondContact O-N 3.37Å; L807-I810 PolarHBondContact O-N 2.84Å; I810-F813 PolarHBondContact O-N 3.09Å; I810-W814 WeakPolarHBondContact O-CB 3.36Å; I810-W814 PolarHBondContact O-N 3.37Å
811	F	91.7	Very high	89.7	Confident	105 Å²	105	70 Å²	70	46%	0.461	39%	0.386	S	S	.	.	H	α-helix	trans	-64.6	-42.6	175.9	177.9	-98.1	0	0	0	111.8	M792 L807 A808 F809 F813 W814 A815	M792-F811 HydrophobicContact CE-CD2 4.02Å; M792-F811 HydrophobicContact SD-CB 4.43Å; M792-F811 HydrophobicContact SD-CD2 4.08Å; L807-F811 WeakPolarHBondContact O-CB 3.37Å; L807-F811 PolarHBondContact O-N 3.48Å; A808-F811 PolarHBondContact O-N 3.39Å; F809-F811 VanDerWaalsContact C-N 3.34Å; F811-F813 VanDerWaalsContact C-N 3.32Å; F811-F813 PolarHBondContact O-N 2.95Å; F811-W814 AromaticContact CD2-CE3 3.87Å; F811-W814 HydrophobicContact CD2-CE3 3.87Å; F811-W814 HydrophobicContact CD2-CZ3 4.23Å; F811-W814 AromaticContact CE2-CE3 3.72Å; F811-W814 HydrophobicContact CE2-CE3 3.72Å; F811-W814 AromaticContact CE2-CZ3 3.62Å; F811-W814 HydrophobicContact CE2-CZ3 3.62Å; F811-W814 HydrophobicContact CZ-CZ3 4.31Å; F811-W814 PolarHBondContact O-N 3.42Å; F811-A815 VanDerWaalsContact O-CB 3.27Å; F811-A815 WeakPolarHBondContact O-CB 3.39Å; F811-A815 PolarHBondContact O-N 2.99Å
812	A	91.8	Very high	90.4	Very high	49 Å²	49	62 Å²	62	41%	0.405	34%	0.343	S	S	.	.	H	α-helix	trans	-60.4	-43.2	175.2	0	0	0	0	0	111.4	A808 F809 A815 V816	A808-A812 WeakPolarHBondContact O-CB 3.41Å; A808-A812 PolarHBondContact O-N 3.4Å; F809-A812 PolarHBondContact O-N 2.99Å; A812-A815 PolarHBondContact O-N 2.78Å; A812-V816 WeakPolarHBondContact O-CG2 3.4Å; A812-V816 PolarHBondContact O-N 3Å
813	F	91.5	Very high	90.9	Very high	121 Å²	121	54.6 Å²	54.6	53%	0.531	32%	0.316	S	S	.	.	H	α-helix	trans	-63.9	-46.5	175.4	-176.9	-108.5	0	0	0	112.2	V791 F809 I810 F811 A815 V816 L817	V791-F813 HydrophobicContact CG1-CD1 4.07Å; F809-F813 PolarHBondContact O-N 3.16Å; I810-F813 PolarHBondContact O-N 3.09Å; F811-F813 VanDerWaalsContact C-N 3.32Å; F811-F813 PolarHBondContact O-N 2.95Å; F813-A815 VanDerWaalsContact C-N 3.34Å; F813-A815 PolarHBondContact O-N 3.5Å; F813-V816 PolarHBondContact O-N 2.94Å; F813-L817 HydrophobicContact CD1-CD1 3.95Å; F813-L817 HydrophobicContact CE1-CD1 3.38Å; F813-L817 HydrophobicContact CE1-CG 4.27Å; F813-L817 HydrophobicContact CE2-CD1 4.28Å; F813-L817 HydrophobicContact CE2-CG 4.4Å; F813-L817 HydrophobicContact CZ-CD1 3.58Å; F813-L817 HydrophobicContact CZ-CD2 4.48Å; F813-L817 HydrophobicContact CZ-CG 4.17Å; F813-L817 WeakPolarHBondContact O-CG 3.46Å; F813-L817 PolarHBondContact O-N 3.31Å
814	W	92.9	Very high	91.2	Very high	21 Å²	21	58.2 Å²	58.2	8%	0.08	34%	0.34	C	S	.	.	H	α-helix	trans	-57.3	-46.2	174	175.7	79.9	0	0	0	111.6	F475 W788 V791 M792 I810 F811 V816 L817 T818	F475-W814 HydrophobicContact CB-CH2 4.42Å; F475-W814 HydrophobicContact CB-CZ2 4.31Å; F475-W814 AromaticContact CD1-CH2 3.89Å; F475-W814 HydrophobicContact CD1-CH2 3.89Å; F475-W814 HydrophobicContact CD1-CZ2 4.18Å; F475-W814 HydrophobicContact CE1-CH2 4.26Å; F475-W814 HydrophobicContact CG-CH2 4.1Å; F475-W814 HydrophobicContact CG-CZ2 4.4Å; W788-W814 HydrophobicContact CE3-CZ2 4.1Å; W788-W814 HydrophobicContact CZ3-CZ2 4.28Å; V791-W814 HydrophobicContact CB-CB 4.49Å; V791-W814 HydrophobicContact CG1-CB 3.8Å; M792-W814 HydrophobicContact CG-CB 4.1Å; M792-W814 HydrophobicContact CG-CD2 3.75Å; M792-W814 HydrophobicContact CG-CG 3.51Å; M792-W814 HydrophobicContact SD-CB 3.83Å; M792-W814 HydrophobicContact SD-CD2 3.98Å; M792-W814 HydrophobicContact SD-CE3 4.28Å; M792-W814 HydrophobicContact SD-CG 3.77Å; I810-W814 WeakPolarHBondContact O-CB 3.36Å; I810-W814 PolarHBondContact O-N 3.37Å; F811-W814 AromaticContact CD2-CE3 3.87Å; F811-W814 HydrophobicContact CD2-CE3 3.87Å; F811-W814 HydrophobicContact CD2-CZ3 4.23Å; F811-W814 AromaticContact CE2-CE3 3.72Å; F811-W814 HydrophobicContact CE2-CE3 3.72Å; F811-W814 AromaticContact CE2-CZ3 3.62Å; F811-W814 HydrophobicContact CE2-CZ3 3.62Å; F811-W814 HydrophobicContact CZ-CZ3 4.31Å; F811-W814 PolarHBondContact O-N 3.42Å; W814-V816 PolarHBondContact O-N 2.87Å; W814-L817 PolarHBondContact O-N 3.35Å; W814-T818 WeakPolarHBondContact O-CB 3.3Å; W814-T818 PolarHBondContact O-N 3.42Å; W814-T818 PolarHBondContact O-OG1 3.22Å
815	A	92.2	Very high	91.6	Very high	29 Å²	29	62.3 Å²	62.3	24%	0.24	35%	0.349	C	S	.	.	H	α-helix	trans	-62.7	-43.1	-179.9	0	0	0	0	0	112.2	F811 A812 F813 T818 V819	F811-A815 VanDerWaalsContact O-CB 3.27Å; F811-A815 WeakPolarHBondContact O-CB 3.39Å; F811-A815 PolarHBondContact O-N 2.99Å; A812-A815 PolarHBondContact O-N 2.78Å; F813-A815 VanDerWaalsContact C-N 3.34Å; F813-A815 PolarHBondContact O-N 3.5Å; A815-T818 PolarHBondContact O-N 2.7Å; A815-V819 WeakPolarHBondContact O-CG2 3.3Å; A815-V819 PolarHBondContact O-N 3.14Å
816	V	93.6	Very high	91.9	Very high	89 Å²	89	60.6 Å²	60.6	54%	0.539	34%	0.335	S	S	.	.	H	α-helix	trans	-63	-43.7	176.5	170.2	0	0	0	0	111.4	A812 F813 W814 V819 S820	A812-V816 WeakPolarHBondContact O-CG2 3.4Å; A812-V816 PolarHBondContact O-N 3Å; F813-V816 PolarHBondContact O-N 2.94Å; W814-V816 PolarHBondContact O-N 2.87Å; V816-V819 PolarHBondContact O-N 3.31Å; V816-S820 VanDerWaalsContact O-CB 3.3Å; V816-S820 WeakPolarHBondContact O-CB 3.38Å; V816-S820 PolarHBondContact O-N 2.83Å; V816-S820 PolarHBondContact O-OG 3.33Å
817	L	92.8	Very high	92.2	Very high	41 Å²	41	59.6 Å²	59.6	22%	0.215	33%	0.331	C	S	.	.	H	α-helix	trans	-66	-42.5	177	-70.9	-177.7	0	0	0	112	L787 F813 W814 S820 I821	L787-L817 HydrophobicContact CD1-CB 3.97Å; L787-L817 HydrophobicContact CD1-CD1 3.82Å; L787-L817 HydrophobicContact CD2-CB 4.37Å; F813-L817 HydrophobicContact CD1-CD1 3.95Å; F813-L817 HydrophobicContact CE1-CD1 3.38Å; F813-L817 HydrophobicContact CE1-CG 4.27Å; F813-L817 HydrophobicContact CE2-CD1 4.28Å; F813-L817 HydrophobicContact CE2-CG 4.4Å; F813-L817 HydrophobicContact CZ-CD1 3.58Å; F813-L817 HydrophobicContact CZ-CD2 4.48Å; F813-L817 HydrophobicContact CZ-CG 4.17Å; F813-L817 WeakPolarHBondContact O-CG 3.46Å; F813-L817 PolarHBondContact O-N 3.31Å; W814-L817 PolarHBondContact O-N 3.35Å; L817-S820 PolarHBondContact O-N 2.94Å; L817-I821 HydrophobicContact CD2-CD1 3.98Å; L817-I821 WeakPolarHBondContact O-CB 3.24Å; L817-I821 PolarHBondContact O-N 3.16Å
818	T	92.9	Very high	92.4	Very high	3 Å²	3	61.6 Å²	61.6	2%	0.018	34%	0.341	C	S	.	.	I	π-helix	trans	-59.3	-47.9	175.9	-64.7	0	0	0	0	110.9	H419 L787 W814 A815 L822 L823	H419-T818 WeakPolarHBondContact NE2-CG2 3.48Å; L787-T818 WeakPolarHBondContact CD2-OG1 3.45Å; W814-T818 WeakPolarHBondContact O-CB 3.3Å; W814-T818 PolarHBondContact O-N 3.42Å; W814-T818 PolarHBondContact O-OG1 3.22Å; A815-T818 PolarHBondContact O-N 2.7Å; T818-L822 HydrophobicContact CG2-CD1 4.18Å; T818-L822 WeakPolarHBondContact O-CA 3.5Å; T818-L822 VanDerWaalsContact O-CB 3.26Å; T818-L822 WeakPolarHBondContact O-CB 3.35Å; T818-L822 PolarHBondContact O-N 3.38Å; T818-L823 HydrophobicContact CG2-CD1 3.83Å; T818-L823 WeakPolarHBondContact O-CD1 3.49Å; T818-L823 PolarHBondContact O-N 3.11Å
819	V	93	Very high	92.6	Very high	71 Å²	71	60.5 Å²	60.5	43%	0.43	33%	0.33	S	S	.	.	I	π-helix	trans	-66	-46.7	179.1	173.9	0	0	0	0	111.5	A815 V816 L823 C824	A815-V819 WeakPolarHBondContact O-CG2 3.3Å; A815-V819 PolarHBondContact O-N 3.14Å; V816-V819 PolarHBondContact O-N 3.31Å; V819-L823 WeakPolarHBondContact O-CB 3.44Å; V819-L823 PolarHBondContact O-N 3.23Å; V819-C824 PolarHBondContact O-N 3.31Å; V819-C824 PolarHBondContact O-SG 3.14Å
820	S	92.4	Very high	92.8	Very high	59 Å²	59	53.4 Å²	53.4	41%	0.413	30%	0.299	S	S	.	.	I	π-helix	trans	-72.5	-47.3	-173.3	-51.7	0	0	0	0	112.6	V816 L817 C824 M825	V816-S820 VanDerWaalsContact O-CB 3.3Å; V816-S820 WeakPolarHBondContact O-CB 3.38Å; V816-S820 PolarHBondContact O-N 2.83Å; V816-S820 PolarHBondContact O-OG 3.33Å; L817-S820 PolarHBondContact O-N 2.94Å; S820-C824 WeakPolarHBondContact O-CB 3.46Å; S820-M825 PolarHBondContact O-N 2.85Å
821	I	93.1	Very high	93	Very high	67 Å²	67	53.9 Å²	53.9	34%	0.344	30%	0.3	S	S	.	.	I	π-helix	trans	-89.8	-54.4	-173.9	-58.1	176	0	0	0	110.4	L783 L817 M825 E826	L783-I821 HydrophobicContact CD2-CG2 4.08Å; L817-I821 HydrophobicContact CD2-CD1 3.98Å; L817-I821 WeakPolarHBondContact O-CB 3.24Å; L817-I821 PolarHBondContact O-N 3.16Å; I821-M825 WeakPolarHBondContact O-CB 3.47Å; I821-M825 PolarHBondContact O-N 3.43Å; I821-E826 PolarHBondContact O-N 3.15Å
822	L	92.6	Very high	93.2	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.016	30%	0.301	C	S	.	.	I	π-helix	trans	-76.1	-46.3	-173.3	-62.6	170.1	0	0	0	111.9	F414 L783 L787 T818 E826 G827	F414-L822 WeakPolarHBondContact CE2-O 3.34Å; L783-L822 HydrophobicContact CB-CD2 4.04Å; L783-L822 HydrophobicContact CD2-CD2 3.65Å; L783-L822 HydrophobicContact CG-CD2 3.81Å; L787-L822 HydrophobicContact CD2-CD1 3.62Å; L787-L822 HydrophobicContact CD2-CG 4.5Å; T818-L822 HydrophobicContact CG2-CD1 4.18Å; T818-L822 WeakPolarHBondContact O-CA 3.5Å; T818-L822 VanDerWaalsContact O-CB 3.26Å; T818-L822 WeakPolarHBondContact O-CB 3.35Å; T818-L822 PolarHBondContact O-N 3.38Å; L822-E826 WeakPolarHBondContact O-CB 3.48Å; L822-G827 PolarHBondContact O-N 3.14Å
823	L	92.5	Very high	93.4	Very high	23 Å²	23	53.7 Å²	53.7	12%	0.12	29%	0.294	C	S	.	.	I	π-helix	trans	-79.3	-51.1	-179.6	-82.1	82.1	0	0	0	112.8	F414 H419 L422 M423 T818 V819 G827	F414-L823 HydrophobicContact CZ-CG 4.48Å; H419-L823 HydrophobicContact CB-CD1 4.11Å; H419-L823 HydrophobicContact CB-CG 4.4Å; L422-L823 HydrophobicContact CB-CD2 3.69Å; L422-L823 HydrophobicContact CD1-CD1 4.28Å; L422-L823 HydrophobicContact CD1-CD2 4.26Å; M423-L823 HydrophobicContact CG-CD2 4.04Å; T818-L823 HydrophobicContact CG2-CD1 3.83Å; T818-L823 WeakPolarHBondContact O-CD1 3.49Å; T818-L823 PolarHBondContact O-N 3.11Å; V819-L823 WeakPolarHBondContact O-CB 3.44Å; V819-L823 PolarHBondContact O-N 3.23Å; L823-G827 VanDerWaalsContact O-CA 3.29Å; L823-G827 WeakPolarHBondContact O-CA 3.25Å; L823-G827 PolarHBondContact O-N 3.35Å
824	C	92	Very high	93.6	Very high	80 Å²	80	47.9 Å²	47.9	54%	0.541	27%	0.269	S	S	.	.	I	π-helix	trans	-78.7	-57.8	-173.7	-66.8	0	0	0	0	113	V819 S820 L828	V819-C824 PolarHBondContact O-N 3.31Å; V819-C824 PolarHBondContact O-SG 3.14Å; S820-C824 WeakPolarHBondContact O-CB 3.46Å; C824-L828 WeakPolarHBondContact O-CB 3.31Å; C824-L828 PolarHBondContact O-N 3.41Å
825	M	93.5	Very high	93.7	Very high	130 Å²	130	47.9 Å²	47.9	64%	0.64	27%	0.271	S	S	*	.	I	π-helix	trans	-71.4	-53.7	-174.3	-66.4	179.4	65.8	0	0	112.7	S820 I821 L828 S829	S820-M825 PolarHBondContact O-N 2.85Å; I821-M825 WeakPolarHBondContact O-CB 3.47Å; I821-M825 PolarHBondContact O-N 3.43Å; M825-L828 PolarHBondContact O-N 3.37Å; M825-S829 PolarHBondContact O-N 3.06Å
826	E	93.9	Very high	93.8	Very high	49 Å²	49	52.8 Å²	52.8	23%	0.229	28%	0.283	C	S	.	.	I	π-helix	trans	-67.4	-37.4	178.4	-74.3	-67.8	145.3	0	0	111.6	L783 I821 L822 S829 A830	L783-E826 HydrophobicContact CD2-CG 4.14Å; I821-E826 PolarHBondContact O-N 3.15Å; L822-E826 WeakPolarHBondContact O-CB 3.48Å; E826-S829 WeakPolarHBondContact O-CB 3.35Å; E826-S829 PolarHBondContact O-N 3.45Å; E826-A830 WeakPolarHBondContact O-CB 3.45Å; E826-A830 PolarHBondContact O-N 3.49Å
827	G	92.9	Very high	93.9	Very high	8 Å²	8	48.5 Å²	48.5	8%	0.082	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-43.3	173.2	0	0	0	0	0	112.7	F410 L822 L823 A830 F831	F410-G827 WeakPolarHBondContact CE2-O 3.45Å; L822-G827 PolarHBondContact O-N 3.14Å; L823-G827 VanDerWaalsContact O-CA 3.29Å; L823-G827 WeakPolarHBondContact O-CA 3.25Å; L823-G827 PolarHBondContact O-N 3.35Å; G827-A830 PolarHBondContact O-N 3.47Å; G827-F831 WeakPolarHBondContact O-CB 3.29Å; G827-F831 PolarHBondContact O-N 3.13Å
828	L	93.7	Very high	93.9	Very high	97 Å²	97	46.7 Å²	46.7	51%	0.508	25%	0.248	S	C	.	.	H	α-helix	trans	-65.1	-39.9	174.9	-176.3	65.6	0	0	0	112	C824 M825 F831 L832	C824-L828 WeakPolarHBondContact O-CB 3.31Å; C824-L828 PolarHBondContact O-N 3.41Å; M825-L828 PolarHBondContact O-N 3.37Å; L828-F831 WeakPolarHBondContact O-CB 3.41Å; L828-F831 PolarHBondContact O-N 2.87Å; L828-L832 HydrophobicContact CG-CD1 4.45Å; L828-L832 WeakPolarHBondContact O-CG 3.39Å; L828-L832 PolarHBondContact O-N 3.46Å
829	S	94.6	Very high	93.9	Very high	38 Å²	38	49.6 Å²	49.6	27%	0.266	26%	0.258	S	S	.	.	H	α-helix	trans	-59.8	-50.3	175.2	-178.9	0	0	0	0	111.7	M825 E826 F831 L832 H833	M825-S829 PolarHBondContact O-N 3.06Å; E826-S829 WeakPolarHBondContact O-CB 3.35Å; E826-S829 PolarHBondContact O-N 3.45Å; S829-F831 VanDerWaalsContact C-N 3.3Å; S829-F831 PolarHBondContact O-N 3.2Å; S829-L832 PolarHBondContact O-N 2.99Å; S829-H833 PolarHBondContact O-CD2 2.93Å; S829-H833 VanDerWaalsContact O-CD2 3.24Å; S829-H833 PolarHBondContact O-N 3.31Å
830	A	95	Very high	93.9	Very high	3 Å²	3	49 Å²	49	3%	0.025	25%	0.254	C	S	.	.	H	α-helix	trans	-60.9	-38.1	176.6	0	0	0	0	0	112.2	F410 M413 E826 G827 T834	F410-A830 HydrophobicContact CD2-CB 4.03Å; F410-A830 HydrophobicContact CE2-CB 3.75Å; M413-A830 HydrophobicContact CB-CB 3.89Å; M413-A830 HydrophobicContact SD-CB 4.36Å; E826-A830 WeakPolarHBondContact O-CB 3.45Å; E826-A830 PolarHBondContact O-N 3.49Å; G827-A830 PolarHBondContact O-N 3.47Å; A830-T834 WeakPolarHBondContact O-CB 3.49Å; A830-T834 PolarHBondContact O-N 3.24Å; A830-T834 PolarHBondContact O-OG1 3.12Å
831	F	95	Very high	93.8	Very high	45 Å²	45	46.3 Å²	46.3	20%	0.197	24%	0.235	C	C	.	.	H	α-helix	trans	-61	-50.2	175.1	176.2	-92.8	0	0	0	111.9	I384 F406 F410 I456 M460 G827 L828 S829 H833 T834 L835	I384-F831 HydrophobicContact CD1-CZ 4.15Å; F406-F831 AromaticContact CE1-CD2 3.68Å; F406-F831 HydrophobicContact CE1-CD2 3.68Å; F406-F831 AromaticContact CE1-CE2 3.47Å; F406-F831 HydrophobicContact CE1-CE2 3.47Å; F406-F831 VanDerWaalsContact CE1-CE2 3.47Å; F406-F831 HydrophobicContact CE1-CZ 4.4Å; F406-F831 AromaticContact CZ-CD2 3.59Å; F406-F831 HydrophobicContact CZ-CD2 3.59Å; F406-F831 AromaticContact CZ-CE2 3.33Å; F406-F831 HydrophobicContact CZ-CE2 3.33Å; F406-F831 HydrophobicContact CZ-CG 4.34Å; F406-F831 AromaticContact CZ-CZ 3.88Å; F406-F831 HydrophobicContact CZ-CZ 3.88Å; F410-F831 HydrophobicContact CD2-CB 4.26Å; F410-F831 HydrophobicContact CE2-CB 4.13Å; I456-F831 HydrophobicContact CG2-CE2 4.37Å; M460-F831 HydrophobicContact CE-CD2 3.98Å; M460-F831 HydrophobicContact CE-CE2 4.4Å; M460-F831 HydrophobicContact SD-CD2 3.76Å; M460-F831 HydrophobicContact SD-CE2 4.36Å; G827-F831 WeakPolarHBondContact O-CB 3.29Å; G827-F831 PolarHBondContact O-N 3.13Å; L828-F831 WeakPolarHBondContact O-CB 3.41Å; L828-F831 PolarHBondContact O-N 2.87Å; S829-F831 VanDerWaalsContact C-N 3.3Å; S829-F831 PolarHBondContact O-N 3.2Å; F831-H833 PolarHBondContact O-N 3.23Å; F831-T834 WeakPolarHBondContact O-CB 3.18Å; F831-T834 PolarHBondContact O-N 3.2Å; F831-L835 HydrophobicContact CE1-CD1 4.19Å; F831-L835 WeakPolarHBondContact O-CB 3.29Å; F831-L835 PolarHBondContact O-N 3.39Å
832	L	95	Very high	93.8	Very high	93 Å²	93	43.1 Å²	43.1	49%	0.487	22%	0.219	S	C	.	.	H	α-helix	trans	-65.4	-38.3	179.8	-70	175.7	0	0	0	112.5	L828 S829 T834 L835 R836	L828-L832 HydrophobicContact CG-CD1 4.45Å; L828-L832 WeakPolarHBondContact O-CG 3.39Å; L828-L832 PolarHBondContact O-N 3.46Å; S829-L832 PolarHBondContact O-N 2.99Å; L832-T834 VanDerWaalsContact C-N 3.34Å; L832-L835 PolarHBondContact O-N 3.09Å; L832-R836 PolarHBondContact O-N 3.05Å
833	H	95.8	Very high	93.7	Very high	57 Å²	57	43 Å²	43	26%	0.264	22%	0.218	S	C	.	.	H	α-helix	trans	-67.3	-35.9	175.3	-81.8	-65.3	0	0	0	112.7	M413 R772 L776 S829 F831 R836 L837	M413-H833 HydrophobicContact CE-CB 3.7Å; M413-H833 HydrophobicContact SD-CB 3.92Å; R772-H833 WeakPolarHBondContact CD-ND1 3.32Å; L776-H833 HydrophobicContact CD1-CB 3.74Å; L776-H833 VanDerWaalsContact CD1-CD2 3.44Å; L776-H833 WeakPolarHBondContact CD1-CD2 3.47Å; S829-H833 PolarHBondContact O-CD2 2.93Å; S829-H833 VanDerWaalsContact O-CD2 3.24Å; S829-H833 PolarHBondContact O-N 3.31Å; F831-H833 PolarHBondContact O-N 3.23Å; H833-R836 PolarHBondContact O-N 3.47Å; H833-L837 WeakPolarHBondContact O-CG 3.46Å; H833-L837 PolarHBondContact O-N 3.5Å; H833-L837 VanDerWaalsContact O-N 3.15Å
834	T	96	Very high	93.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66	-43	173.3	-59.6	0	0	0	0	111.1	F406 L409 F410 M413 A830 F831 L832 R836 L837 H838	F406-T834 HydrophobicContact CD1-CG2 4.34Å; F406-T834 HydrophobicContact CD2-CG2 3.83Å; F406-T834 HydrophobicContact CE1-CG2 4.45Å; F406-T834 HydrophobicContact CE2-CG2 3.99Å; F406-T834 HydrophobicContact CG-CG2 3.99Å; F406-T834 HydrophobicContact CZ-CG2 4.28Å; F406-T834 WeakPolarHBondContact O-CG2 3.49Å; L409-T834 HydrophobicContact CB-CG2 3.87Å; F410-T834 WeakPolarHBondContact CA-OG1 3.28Å; F410-T834 HydrophobicContact CB-CG2 4.24Å; F410-T834 PolarHBondContact N-OG1 3.13Å; M413-T834 PolarHBondContact SD-OG1 3.19Å; A830-T834 WeakPolarHBondContact O-CB 3.49Å; A830-T834 PolarHBondContact O-N 3.24Å; A830-T834 PolarHBondContact O-OG1 3.12Å; F831-T834 WeakPolarHBondContact O-CB 3.18Å; F831-T834 PolarHBondContact O-N 3.2Å; L832-T834 VanDerWaalsContact C-N 3.34Å; T834-R836 VanDerWaalsContact C-N 3.35Å; T834-R836 PolarHBondContact O-N 3.29Å; T834-L837 WeakPolarHBondContact O-CB 3.44Å; T834-L837 PolarHBondContact O-N 2.85Å; T834-H838 PolarHBondContact O-N 3.19Å; T834-H838 PolarHBondContact O-ND1 2.88Å
835	L	94.5	Very high	93	Very high	21 Å²	21	43.1 Å²	43.1	11%	0.11	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-42.8	175.7	178.8	152.9	0	0	0	111.9	I384 F406 F831 L832 L837 H838 W839	I384-L835 HydrophobicContact CG2-CD1 3.96Å; F406-L835 HydrophobicContact CE2-CB 3.77Å; F406-L835 HydrophobicContact CZ-CB 4.27Å; F831-L835 HydrophobicContact CE1-CD1 4.19Å; F831-L835 WeakPolarHBondContact O-CB 3.29Å; F831-L835 PolarHBondContact O-N 3.39Å; L832-L835 PolarHBondContact O-N 3.09Å; L835-L837 PolarHBondContact O-N 3.11Å; L835-H838 PolarHBondContact O-N 3.46Å; L835-H838 VanDerWaalsContact O-N 3.09Å; L835-W839 HydrophobicContact CD1-CH2 4.13Å; L835-W839 HydrophobicContact CD1-CZ2 3.78Å; L835-W839 HydrophobicContact CD2-CD2 3.39Å; L835-W839 HydrophobicContact CD2-CE3 3.3Å; L835-W839 HydrophobicContact CD2-CG 4.22Å; L835-W839 HydrophobicContact CD2-CH2 3.53Å; L835-W839 HydrophobicContact CD2-CZ2 3.6Å; L835-W839 HydrophobicContact CD2-CZ3 3.38Å; L835-W839 HydrophobicContact CG-CD2 4.03Å; L835-W839 HydrophobicContact CG-CE3 4.38Å; L835-W839 HydrophobicContact CG-CH2 4.22Å; L835-W839 HydrophobicContact CG-CZ2 3.83Å; L835-W839 HydrophobicContact CG-CZ3 4.48Å; L835-W839 PolarHBondContact O-N 3.05Å
836	R	95.1	Very high	92.7	Very high	131 Å²	131	37.5 Å²	37.5	49%	0.494	18%	0.184	S	C	.	.	H	α-helix	trans	-56.2	-48.1	173.1	-177.4	173.6	179.6	160.6	0.9	112.1	R772 L832 H833 T834 H838 W839 V840	R772-R836 VanDerWaalsContact NH2-NE 3.2Å; L832-R836 PolarHBondContact O-N 3.05Å; H833-R836 PolarHBondContact O-N 3.47Å; T834-R836 VanDerWaalsContact C-N 3.35Å; T834-R836 PolarHBondContact O-N 3.29Å; R836-H838 PolarHBondContact O-N 3.23Å; R836-W839 PolarHBondContact O-N 3.4Å; R836-V840 HydrophobicContact CG-CG2 4.46Å; R836-V840 PolarHBondContact O-N 3.13Å
837	L	94.9	Very high	92.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.175	C	C	.	.	I	π-helix	trans	-56.4	-30.1	177.4	-70.9	173.4	0	0	0	113.2	M413 Y770 L773 H833 T834 L835 E841 F842	M413-L837 HydrophobicContact CE-CD1 3.76Å; Y770-L837 HydrophobicContact CD1-CD1 4.07Å; Y770-L837 HydrophobicContact CD1-CD2 3.76Å; Y770-L837 HydrophobicContact CD1-CG 4.49Å; Y770-L837 HydrophobicContact CD2-CD2 4.47Å; Y770-L837 HydrophobicContact CE1-CB 4.39Å; Y770-L837 HydrophobicContact CE1-CD1 4.11Å; Y770-L837 HydrophobicContact CE1-CD2 3.74Å; Y770-L837 HydrophobicContact CE1-CG 4.3Å; Y770-L837 HydrophobicContact CE2-CD2 4.41Å; Y770-L837 HydrophobicContact CG-CD2 4.14Å; L773-L837 HydrophobicContact CD2-CD1 3.99Å; L773-L837 HydrophobicContact CG-CD1 4.08Å; H833-L837 WeakPolarHBondContact O-CG 3.46Å; H833-L837 PolarHBondContact O-N 3.5Å; H833-L837 VanDerWaalsContact O-N 3.15Å; T834-L837 WeakPolarHBondContact O-CB 3.44Å; T834-L837 PolarHBondContact O-N 2.85Å; L835-L837 PolarHBondContact O-N 3.11Å; L837-E841 WeakPolarHBondContact CA-OE2 3.49Å; L837-E841 HydrophobicContact CD2-CG 4.28Å; L837-E841 WeakPolarHBondContact O-CB 3.43Å; L837-F842 PolarHBondContact O-N 3.14Å; L837-F842 VanDerWaalsContact O-N 3.16Å
838	H	94	Very high	91.9	Very high	3 Å²	3	38.1 Å²	38.1	1%	0.014	19%	0.192	C	C	.	.	I	π-helix	trans	-81.9	-45.6	176.9	-70.6	75.7	0	0	0	112	T405 F406 H554 T834 L835 R836 F842 Q843	T405-H838 PolarHBondContact OG1-NE2 3.36Å; F406-H838 VanDerWaalsContact CA-CE1 3.43Å; F406-H838 WeakPolarHBondContact CA-CE1 3.2Å; F406-H838 AromaticContact CD2-CE1 3.88Å; F406-H838 AromaticContact CD2-ND1 3.71Å; F406-H838 PolarHBondContact N-NE2 3.21Å; H554-H838 AromaticContact CE1-NE2 3.91Å; H554-H838 AromaticContact NE2-NE2 3.98Å; T834-H838 PolarHBondContact O-N 3.19Å; T834-H838 PolarHBondContact O-ND1 2.88Å; L835-H838 PolarHBondContact O-N 3.46Å; L835-H838 VanDerWaalsContact O-N 3.09Å; R836-H838 PolarHBondContact O-N 3.23Å; H838-F842 WeakPolarHBondContact O-CB 3.43Å; H838-Q843 WeakPolarHBondContact O-CB 3.43Å; H838-Q843 VanDerWaalsContact O-CG 3.23Å; H838-Q843 WeakPolarHBondContact O-CG 3.25Å; H838-Q843 PolarHBondContact O-N 3.16Å
839	W	93.2	Very high	91.4	Very high	63 Å²	63	34.4 Å²	34.4	24%	0.239	18%	0.177	C	C	.	.	I	π-helix	trans	-69.3	-48.4	-177.2	-69.2	-7.9	0	0	0	113.3	I384 A387 Y388 L835 R836 Q843	I384-W839 WeakPolarHBondContact O-CZ2 3.44Å; I384-W839 PolarHBondContact O-NE1 2.8Å; A387-W839 HydrophobicContact CB-CZ2 4.24Å; Y388-W839 HydrophobicContact CD2-CB 3.65Å; Y388-W839 AromaticContact CD2-CD2 3.81Å; Y388-W839 HydrophobicContact CD2-CD2 3.81Å; Y388-W839 AromaticContact CD2-CE3 3.98Å; Y388-W839 HydrophobicContact CD2-CE3 3.98Å; Y388-W839 AromaticContact CD2-CG 3.69Å; Y388-W839 HydrophobicContact CD2-CG 3.69Å; Y388-W839 HydrophobicContact CE2-CB 3.86Å; Y388-W839 HydrophobicContact CE2-CG 4.4Å; Y388-W839 HydrophobicContact CG-CB 4.16Å; Y388-W839 HydrophobicContact CG-CD2 4.23Å; Y388-W839 AromaticContact CG-CG 3.95Å; Y388-W839 HydrophobicContact CG-CG 3.95Å; L835-W839 HydrophobicContact CD1-CH2 4.13Å; L835-W839 HydrophobicContact CD1-CZ2 3.78Å; L835-W839 HydrophobicContact CD2-CD2 3.39Å; L835-W839 HydrophobicContact CD2-CE3 3.3Å; L835-W839 HydrophobicContact CD2-CG 4.22Å; L835-W839 HydrophobicContact CD2-CH2 3.53Å; L835-W839 HydrophobicContact CD2-CZ2 3.6Å; L835-W839 HydrophobicContact CD2-CZ3 3.38Å; L835-W839 HydrophobicContact CG-CD2 4.03Å; L835-W839 HydrophobicContact CG-CE3 4.38Å; L835-W839 HydrophobicContact CG-CH2 4.22Å; L835-W839 HydrophobicContact CG-CZ2 3.83Å; L835-W839 HydrophobicContact CG-CZ3 4.48Å; L835-W839 PolarHBondContact O-N 3.05Å; R836-W839 PolarHBondContact O-N 3.4Å; W839-Q843 WeakPolarHBondContact O-CB 3.19Å
840	V	91.4	Very high	91	Very high	58 Å²	58	37.1 Å²	37.1	35%	0.352	19%	0.188	S	C	.	.	I	π-helix	trans	-92.9	-44.6	-172.2	-178.8	0	0	0	0	111.8	R836 N844	R836-V840 HydrophobicContact CG-CG2 4.46Å; R836-V840 PolarHBondContact O-N 3.13Å; V840-N844 WeakPolarHBondContact O-CB 3.28Å
841	E	91.7	Very high	90.7	Very high	3 Å²	3	38.2 Å²	38.2	1%	0.014	20%	0.2	C	C	.	.	I	π-helix	trans	-89.9	-31.1	-171.6	-65.7	82.7	167.4	0	0	113.8	N766 S769 Y770 R772 L837 K845	N766-E841 HydrophobicContact CB-CB 4.31Å; N766-E841 HydrophobicContact CB-CG 3.78Å; S769-E841 WeakPolarHBondContact CB-OE1 3.26Å; S769-E841 PolarHBondContact OG-OE1 3.03Å; Y770-E841 HydrophobicContact CE2-CB 3.96Å; Y770-E841 HydrophobicContact CE2-CG 4.33Å; R772-E841 IonicContact CZ-OE1 2.73Å; R772-E841 IonicContact NH1-OE1 3.93Å; R772-E841 PolarHBondContact NH1-OE1 3.29Å; R772-E841 IonicContact NH2-OE1 3.14Å; R772-E841 PolarHBondContact NH2-OE1 3.05Å; L837-E841 WeakPolarHBondContact CA-OE2 3.49Å; L837-E841 HydrophobicContact CD2-CG 4.28Å; L837-E841 WeakPolarHBondContact O-CB 3.43Å; E841-K845 WeakPolarHBondContact O-CD 3.4Å; E841-K845 WeakPolarHBondContact O-CE 3.49Å
842	F	91.7	Very high	90.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.207	C	C	.	.	I	π-helix	trans	-95.7	-55.5	-180	-178.6	-109.1	0	0	0	112.9	P398 F401 H554 L557 L561 L837 H838 F846	P398-F842 HydrophobicContact CB-CE1 4.36Å; F401-F842 HydrophobicContact CB-CZ 4.22Å; H554-F842 AromaticContact CD2-CD2 3.5Å; H554-F842 AromaticContact CD2-CE2 3.75Å; H554-F842 AromaticContact CE1-CD2 3.78Å; H554-F842 AromaticContact CE1-CG 3.77Å; H554-F842 AromaticContact NE2-CD2 3.28Å; H554-F842 VanDerWaalsContact NE2-CD2 3.28Å; H554-F842 WeakPolarHBondContact NE2-CD2 3.42Å; H554-F842 AromaticContact NE2-CE2 3.7Å; H554-F842 AromaticContact NE2-CG 3.54Å; H554-F842 WeakPolarHBondContact O-CD2 3.38Å; L557-F842 HydrophobicContact CB-CE2 4.39Å; L557-F842 HydrophobicContact CD2-CE2 4.23Å; L557-F842 HydrophobicContact CG-CE2 4.23Å; L561-F842 HydrophobicContact CD1-CE1 4.49Å; L561-F842 HydrophobicContact CD1-CE2 4.38Å; L561-F842 HydrophobicContact CD1-CZ 3.7Å; L837-F842 PolarHBondContact O-N 3.14Å; L837-F842 VanDerWaalsContact O-N 3.16Å; H838-F842 WeakPolarHBondContact O-CB 3.43Å; F842-F846 AromaticContact CD1-CE1 3.85Å; F842-F846 HydrophobicContact CD1-CE1 3.85Å; F842-F846 HydrophobicContact CD1-CZ 4.06Å; F842-F846 HydrophobicContact CD2-CE1 4.42Å; F842-F846 AromaticContact CE1-CE1 3.6Å; F842-F846 HydrophobicContact CE1-CE1 3.6Å; F842-F846 AromaticContact CE1-CZ 3.55Å; F842-F846 HydrophobicContact CE1-CZ 3.55Å; F842-F846 HydrophobicContact CE2-CE1 4.2Å; F842-F846 HydrophobicContact CG-CE1 4.26Å; F842-F846 AromaticContact CZ-CE1 3.8Å; F842-F846 HydrophobicContact CZ-CE1 3.8Å; F842-F846 AromaticContact CZ-CZ 3.97Å; F842-F846 HydrophobicContact CZ-CZ 3.97Å; F842-F846 WeakPolarHBondContact O-CE1 2.96Å
843	Q	90.7	Very high	90.3	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-68.5	-38.5	-173.4	-75.6	171.5	1.9	0	0	113.2	P398 H838 W839 K845 F846 Y847	P398-Q843 HydrophobicContact CB-CG 4.24Å; P398-Q843 HydrophobicContact CG-CG 4.34Å; H838-Q843 WeakPolarHBondContact O-CB 3.43Å; H838-Q843 VanDerWaalsContact O-CG 3.23Å; H838-Q843 WeakPolarHBondContact O-CG 3.25Å; H838-Q843 PolarHBondContact O-N 3.16Å; W839-Q843 WeakPolarHBondContact O-CB 3.19Å; Q843-K845 PolarHBondContact O-N 3.39Å; Q843-F846 PolarHBondContact O-N 2.97Å; Q843-Y847 HydrophobicContact CB-CD1 4.36Å; Q843-Y847 HydrophobicContact CB-CG 4.44Å; Q843-Y847 VanDerWaalsContact O-CB 3.25Å; Q843-Y847 WeakPolarHBondContact O-CB 3.33Å; Q843-Y847 PolarHBondContact O-N 3.17Å
844	N	85.8	Confident	90.2	Very high	80 Å²	80	37.1 Å²	37.1	43%	0.428	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-55.4	-13.8	-179.5	-164.8	19.1	0	0	0	114.3	E758 V840	E758-N844 PolarHBondContact OE1-ND2 3.37Å; V840-N844 WeakPolarHBondContact O-CB 3.28Å
845	K	84.6	Confident	89.9	Confident	25 Å²	25	41.3 Å²	41.3	11%	0.109	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-86.4	-23.1	-179.1	-68.4	164	178.1	-61.7	0	114.4	M555 I559 E841 Q843	M555-K845 HydrophobicContact CB-CD 4.42Å; I559-K845 HydrophobicContact CG1-CB 4.23Å; I559-K845 HydrophobicContact CG1-CD 3.8Å; I559-K845 HydrophobicContact CG1-CG 4.12Å; E841-K845 WeakPolarHBondContact O-CD 3.4Å; E841-K845 WeakPolarHBondContact O-CE 3.49Å; Q843-K845 PolarHBondContact O-N 3.39Å
846	F	87.2	Confident	89.8	Confident	12 Å²	12	42.2 Å²	42.2	5%	0.053	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-146	-13.9	-173.9	68.5	-89.3	0	0	0	114.9	P398 G558 L561 N565 F842 Q843	P398-F846 HydrophobicContact CB-CE2 4.13Å; P398-F846 HydrophobicContact CB-CZ 3.87Å; G558-F846 WeakPolarHBondContact O-CD1 3.03Å; L561-F846 HydrophobicContact CB-CB 4.44Å; L561-F846 HydrophobicContact CB-CD1 4.13Å; L561-F846 HydrophobicContact CB-CD2 4.17Å; L561-F846 HydrophobicContact CB-CE1 4.4Å; L561-F846 HydrophobicContact CB-CE2 4.44Å; L561-F846 HydrophobicContact CB-CG 3.99Å; L561-F846 HydrophobicContact CD1-CE1 3.98Å; L561-F846 HydrophobicContact CD1-CE2 4.26Å; L561-F846 HydrophobicContact CD1-CZ 3.82Å; N565-F846 PolarHBondContact ND2-O 3.37Å; F842-F846 AromaticContact CD1-CE1 3.85Å; F842-F846 HydrophobicContact CD1-CE1 3.85Å; F842-F846 HydrophobicContact CD1-CZ 4.06Å; F842-F846 HydrophobicContact CD2-CE1 4.42Å; F842-F846 AromaticContact CE1-CE1 3.6Å; F842-F846 HydrophobicContact CE1-CE1 3.6Å; F842-F846 AromaticContact CE1-CZ 3.55Å; F842-F846 HydrophobicContact CE1-CZ 3.55Å; F842-F846 HydrophobicContact CE2-CE1 4.2Å; F842-F846 HydrophobicContact CG-CE1 4.26Å; F842-F846 AromaticContact CZ-CE1 3.8Å; F842-F846 HydrophobicContact CZ-CE1 3.8Å; F842-F846 AromaticContact CZ-CZ 3.97Å; F842-F846 HydrophobicContact CZ-CZ 3.97Å; F842-F846 WeakPolarHBondContact O-CE1 2.96Å; Q843-F846 PolarHBondContact O-N 2.97Å
847	Y	87.4	Confident	89.6	Confident	10 Å²	10	37.4 Å²	37.4	4%	0.039	21%	0.21	C	C	.	.			trans	-107.3	117.6	-173.7	-173.2	-103.8	0	0	0	110.1	Y388 G389 V390 A391 E395 P398 Q843	Y388-Y847 HydrophobicContact CD1-CD1 4.22Å; Y388-Y847 HydrophobicContact CD1-CE1 4.21Å; Y388-Y847 HydrophobicContact CE1-CD1 4.49Å; G389-Y847 PolarHBondContact O-OH 2.66Å; V390-Y847 VanDerWaalsContact C-OH 3.25Å; A391-Y847 WeakPolarHBondContact CA-OH 3.34Å; A391-Y847 HydrophobicContact CB-CD2 4.39Å; A391-Y847 HydrophobicContact CB-CE2 3.43Å; A391-Y847 VanDerWaalsContact CB-CE2 3.43Å; A391-Y847 PolarHBondContact N-OH 3.04Å; E395-Y847 WeakPolarHBondContact OE1-CA 3.44Å; P398-Y847 HydrophobicContact CG-CD2 4Å; P398-Y847 HydrophobicContact CG-CE2 4.04Å; Q843-Y847 HydrophobicContact CB-CD1 4.36Å; Q843-Y847 HydrophobicContact CB-CG 4.44Å; Q843-Y847 VanDerWaalsContact O-CB 3.25Å; Q843-Y847 WeakPolarHBondContact O-CB 3.33Å; Q843-Y847 PolarHBondContact O-N 3.17Å
848	S	82.1	Confident	89.2	Confident	60 Å²	60	39.7 Å²	39.7	42%	0.42	22%	0.224	S	C	.	.			trans	-84.2	-36.1	-175.9	-48.2	0	0	0	0	112.9	E395 D850	E395-S848 PolarHBondContact OE1-N 2.99Å; E395-S848 PolarHBondContact OE1-OG 2.85Å; E395-S848 VanDerWaalsContact OE1-OG 3.05Å; S848-D850 WeakPolarHBondContact CB-OD1 3.5Å; S848-D850 PolarHBondContact O-N 2.74Å
849	G	82.7	Confident	88.7	Confident	19 Å²	19	39.8 Å²	39.8	20%	0.196	23%	0.225	C	C	.	.			trans	73.1	12.4	172.1	0	0	0	0	0	117.2	V390	V390-G849 PolarHBondContact N-O 3.48Å; V390-G849 CarbonylContact O-C 3.58Å; V390-G849 VanDerWaalsContact O-CA 3.28Å; V390-G849 WeakPolarHBondContact O-CA 3.1Å
850	D	87.3	Confident	87.5	Confident	96 Å²	96	43.6 Å²	43.6	51%	0.513	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-105.7	13.8	-177.1	65.8	-30.4	0	0	0	113.9	V390 R392 S848	V390-D850 PolarHBondContact O-N 3.12Å; R392-D850 WeakPolarHBondContact CD-OD1 3.48Å; R392-D850 WeakPolarHBondContact CG-OD1 3.28Å; R392-D850 IonicContact CZ-OD1 3.27Å; R392-D850 IonicContact CZ-OD2 3.37Å; R392-D850 VanDerWaalsContact CZ-OD2 3.26Å; R392-D850 IonicContact NE-OD1 3.9Å; R392-D850 PolarHBondContact NE-OD1 3.27Å; R392-D850 IonicContact NE-OD2 2.65Å; R392-D850 PolarHBondContact NE-OD2 2.92Å; R392-D850 IonicContact NH2-OD1 3.36Å; R392-D850 IonicContact NH2-OD2 3.53Å; R392-D850 PolarHBondContact NH2-OD2 3.14Å; S848-D850 WeakPolarHBondContact CB-OD1 3.5Å; S848-D850 PolarHBondContact O-N 2.74Å
851	G	87.8	Confident	86	Confident	25 Å²	25	48.1 Å²	48.1	26%	0.258	26%	0.262	S	S	.	.			trans	-74.2	176.4	172.8	0	0	0	0	0	112.6	V390	V390-G851 WeakPolarHBondContact O-CA 3.22Å; V390-G851 PolarHBondContact O-N 3.19Å
852	Y	91.8	Very high	84.4	Confident	88 Å²	88	48.5 Å²	48.5	35%	0.345	27%	0.265	S	S	.	.			trans	-123.8	143.6	171.2	67.1	-86.4	0	0	0	110.5	N367 P369 T370	N367-Y852 WeakPolarHBondContact O-CE1 3.42Å; N367-Y852 PolarHBondContact O-OH 3.43Å; P369-Y852 HydrophobicContact CB-CD2 3.95Å; P369-Y852 HydrophobicContact CB-CE2 3.45Å; P369-Y852 VanDerWaalsContact CB-CE2 3.45Å; P369-Y852 WeakPolarHBondContact CD-OH 3.46Å; P369-Y852 HydrophobicContact CG-CE2 4.19Å; T370-Y852 PolarHBondContact N-O 3.35Å
853	P	91.4	Very high	82.7	Confident	63 Å²	63	49.8 Å²	49.8	41%	0.409	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-77	148.9	-172.9	30.7	-33	0	0	0	111.1	V390 V855	V390-P853 HydrophobicContact CG1-CB 4.27Å; V390-P853 HydrophobicContact CG2-CB 4.23Å; V390-P853 HydrophobicContact CG2-CG 4.31Å; P853-V855 HydrophobicContact CG-CG2 4.35Å; P853-V855 PolarHBondContact O-N 3.09Å
854	F	92.4	Very high	80.9	Confident	21 Å²	21	52.1 Å²	52.1	9%	0.092	29%	0.288	C	S	.	.			trans	-72	112.5	168.1	-178.9	-114.7	0	0	0	110.4	M10 L34 Q36 W331 P369 T370 Y371 P856	M10-F854 HydrophobicContact CE-CB 3.8Å; M10-F854 HydrophobicContact CE-CD1 3.93Å; M10-F854 HydrophobicContact CE-CD2 3.16Å; M10-F854 HydrophobicContact CE-CE1 4.27Å; M10-F854 HydrophobicContact CE-CE2 3.56Å; M10-F854 HydrophobicContact CE-CG 3.35Å; M10-F854 HydrophobicContact CE-CZ 4.1Å; L34-F854 WeakPolarHBondContact O-CZ 3.13Å; Q36-F854 HydrophobicContact CB-CD2 3.83Å; Q36-F854 HydrophobicContact CB-CE2 3.42Å; Q36-F854 VanDerWaalsContact CB-CE2 3.42Å; Q36-F854 HydrophobicContact CB-CZ 4.26Å; W331-F854 HydrophobicContact CB-CE2 4.33Å; P369-F854 HydrophobicContact CB-CB 3.98Å; P369-F854 HydrophobicContact CB-CD2 4.11Å; P369-F854 HydrophobicContact CG-CB 4.5Å; P369-F854 HydrophobicContact CG-CD2 3.77Å; T370-F854 PolarHBondContact O-N 3.05Å; Y371-F854 HydrophobicContact CD1-CD1 4.42Å; Y371-F854 HydrophobicContact CD2-CB 4.22Å; Y371-F854 AromaticContact CD2-CD1 3.64Å; Y371-F854 HydrophobicContact CD2-CD1 3.64Å; Y371-F854 HydrophobicContact CD2-CE1 4.49Å; Y371-F854 HydrophobicContact CD2-CG 4.34Å; Y371-F854 HydrophobicContact CE2-CD1 4.17Å; Y371-F854 HydrophobicContact CG-CB 4.27Å; Y371-F854 AromaticContact CG-CD1 3.79Å; Y371-F854 HydrophobicContact CG-CD1 3.79Å; Y371-F854 HydrophobicContact CG-CG 4.3Å; F854-P856 HydrophobicContact CD1-CB 4.43Å; F854-P856 HydrophobicContact CD1-CG 4.25Å; F854-P856 HydrophobicContact CE1-CB 3.67Å; F854-P856 HydrophobicContact CE1-CG 3.88Å; F854-P856 HydrophobicContact CZ-CB 3.89Å; F854-P856 WeakPolarHBondContact O-CD 3.43Å
855	V	90.6	Very high	79.2	Confident	89 Å²	89	50.7 Å²	50.7	54%	0.539	28%	0.28	S	S	.	.			trans	-111.4	92.5	175.5	-175.9	0	0	0	0	107.8	Q36 P853	Q36-V855 WeakPolarHBondContact CB-O 3.19Å; Q36-V855 VanDerWaalsContact CG-O 3.29Å; Q36-V855 WeakPolarHBondContact CG-O 3Å; P853-V855 HydrophobicContact CG-CG2 4.35Å; P853-V855 PolarHBondContact O-N 3.09Å
856	P	91.3	Very high	77.3	Confident	39 Å²	39	54.6 Å²	54.6	25%	0.253	31%	0.306	S	S	.	.			trans	-68	151.1	178.3	27.5	-32.2	0	0	0	111	G33 F854 T858	G33-P856 WeakPolarHBondContact O-CB 3.49Å; G33-P856 WeakPolarHBondContact O-CG 3.43Å; F854-P856 HydrophobicContact CD1-CB 4.43Å; F854-P856 HydrophobicContact CD1-CG 4.25Å; F854-P856 HydrophobicContact CE1-CB 3.67Å; F854-P856 HydrophobicContact CE1-CG 3.88Å; F854-P856 HydrophobicContact CZ-CB 3.89Å; F854-P856 WeakPolarHBondContact O-CD 3.43Å; P856-T858 PolarHBondContact O-N 3.15Å; P856-T858 VanDerWaalsContact O-N 3.16Å
857	F	90.9	Very high	74.8	Confident	31 Å²	31	58.5 Å²	58.5	14%	0.136	33%	0.327	C	S	.	.			trans	-71.4	104.1	169	176.7	-110.6	0	0	0	109.7	I26 G33 V35 F37 A309 T313 F859	I26-F857 HydrophobicContact CG2-CE1 3.79Å; I26-F857 HydrophobicContact CG2-CZ 4.3Å; G33-F857 WeakPolarHBondContact CA-O 3.34Å; V35-F857 WeakPolarHBondContact O-CB 3.49Å; V35-F857 PolarHBondContact O-N 2.94Å; F37-F857 HydrophobicContact CD2-CB 3.85Å; F37-F857 HydrophobicContact CD2-CD1 4.45Å; F37-F857 HydrophobicContact CD2-CG 4.13Å; F37-F857 HydrophobicContact CE2-CB 3.85Å; F37-F857 AromaticContact CE2-CD1 3.78Å; F37-F857 HydrophobicContact CE2-CD1 3.78Å; F37-F857 AromaticContact CE2-CG 3.92Å; F37-F857 HydrophobicContact CE2-CG 3.92Å; A309-F857 HydrophobicContact CB-CE2 3.83Å; A309-F857 HydrophobicContact CB-CZ 4.08Å; A309-F857 WeakPolarHBondContact O-CE2 3.4Å; T313-F857 HydrophobicContact CG2-CD1 4.3Å; T313-F857 HydrophobicContact CG2-CD2 3.33Å; T313-F857 HydrophobicContact CG2-CE1 4.26Å; T313-F857 HydrophobicContact CG2-CE2 3.26Å; T313-F857 HydrophobicContact CG2-CG 3.85Å; T313-F857 HydrophobicContact CG2-CZ 3.76Å; F857-F859 HydrophobicContact CE1-CE1 4.24Å; F857-F859 HydrophobicContact CE1-CZ 4.26Å; F857-F859 AromaticContact CZ-CE1 3.83Å; F857-F859 HydrophobicContact CZ-CE1 3.83Å; F857-F859 HydrophobicContact CZ-CZ 4.26Å
858	T	86.4	Confident	72.2	Confident	48 Å²	48	68.5 Å²	68.5	29%	0.294	38%	0.382	S	S	.	.			trans	-134.3	144.9	-179.1	-50.2	0	0	0	0	110.2	G30 G33 P856 E860	G30-T858 WeakPolarHBondContact O-CA 3.43Å; G33-T858 WeakPolarHBondContact CA-OG1 3.5Å; P856-T858 PolarHBondContact O-N 3.15Å; P856-T858 VanDerWaalsContact O-N 3.16Å; T858-E860 HydrophobicContact CG2-CB 4.07Å; T858-E860 PolarHBondContact O-N 3.26Å
859	F	83.8	Confident	71.7	Confident	5 Å²	5	69 Å²	69	2%	0.022	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	11.8	175.5	-61.8	-52.9	0	0	0	115.5	S27 G30 E31 A88 K306 A309 I310 F857 H861 S862 N863	S27-F859 WeakPolarHBondContact O-CE2 3.49Å; G30-F859 VanDerWaalsContact C-CE2 3.42Å; G30-F859 WeakPolarHBondContact O-CD2 3.35Å; G30-F859 PolarHBondContact O-N 3.14Å; E31-F859 HydrophobicContact CG-CD2 4.04Å; E31-F859 HydrophobicContact CG-CE2 4.02Å; A88-F859 HydrophobicContact CB-CE2 4.44Å; K306-F859 HydrophobicContact CB-CD1 4.03Å; K306-F859 HydrophobicContact CB-CE1 3.97Å; K306-F859 HydrophobicContact CB-CZ 4.46Å; K306-F859 HydrophobicContact CD-CB 4.28Å; K306-F859 HydrophobicContact CD-CD1 4.3Å; K306-F859 HydrophobicContact CD-CD2 4.09Å; K306-F859 HydrophobicContact CD-CE2 4.49Å; K306-F859 HydrophobicContact CD-CG 3.99Å; K306-F859 HydrophobicContact CG-CB 4.11Å; K306-F859 HydrophobicContact CG-CD1 3.63Å; K306-F859 HydrophobicContact CG-CD2 4.33Å; K306-F859 HydrophobicContact CG-CE1 4.08Å; K306-F859 HydrophobicContact CG-CG 3.79Å; A309-F859 HydrophobicContact CB-CD1 4.48Å; A309-F859 HydrophobicContact CB-CE1 4.21Å; I310-F859 HydrophobicContact CD1-CE1 4.42Å; I310-F859 HydrophobicContact CD1-CZ 3.91Å; I310-F859 HydrophobicContact CG1-CE1 4.03Å; I310-F859 HydrophobicContact CG1-CZ 3.76Å; F857-F859 HydrophobicContact CE1-CE1 4.24Å; F857-F859 HydrophobicContact CE1-CZ 4.26Å; F857-F859 AromaticContact CZ-CE1 3.83Å; F857-F859 HydrophobicContact CZ-CE1 3.83Å; F857-F859 HydrophobicContact CZ-CZ 4.26Å; F859-H861 PolarHBondContact O-N 3.13Å; F859-S862 VanDerWaalsContact C-OG 3.3Å; F859-S862 WeakPolarHBondContact CA-OG 3.32Å; F859-S862 WeakPolarHBondContact CB-OG 3.42Å; F859-S862 PolarHBondContact O-N 3.34Å; F859-S862 PolarHBondContact O-OG 2.88Å; F859-N863 PolarHBondContact O-ND2 3.4Å
860	E	68.9	Low	71.2	Confident	142 Å²	142	71.6 Å²	71.6	66%	0.664	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-39.1	-177.4	-167.8	173.6	-174.5	0	0	111.8	T858 S862 N863	T858-E860 HydrophobicContact CG2-CB 4.07Å; T858-E860 PolarHBondContact O-N 3.26Å; E860-S862 VanDerWaalsContact C-N 3.31Å; E860-S862 PolarHBondContact O-N 2.98Å; E860-N863 WeakPolarHBondContact O-CB 3.31Å; E860-N863 PolarHBondContact O-N 2.84Å
861	H	59.3	Low	70.3	Confident	153 Å²	153	70.2 Å²	70.2	71%	0.708	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-69.4	-29.7	179.6	-69.4	51.8	0	0	0	112.1	F859 N863 S864	F859-H861 PolarHBondContact O-N 3.13Å; H861-N863 PolarHBondContact O-N 2.87Å; H861-S864 PolarHBondContact O-N 3.47Å; H861-S864 PolarHBondContact O-OG 3.05Å; H861-S864 VanDerWaalsContact O-OG 3.12Å
862	S	57.7	Low	69.2	Low	12 Å²	12	72.9 Å²	72.9	8%	0.084	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-67.6	-17.1	175.8	42.3	0	0	0	0	113.4	F859 E860	F859-S862 VanDerWaalsContact C-OG 3.3Å; F859-S862 WeakPolarHBondContact CA-OG 3.32Å; F859-S862 WeakPolarHBondContact CB-OG 3.42Å; F859-S862 PolarHBondContact O-N 3.34Å; F859-S862 PolarHBondContact O-OG 2.88Å; E860-S862 VanDerWaalsContact C-N 3.31Å; E860-S862 PolarHBondContact O-N 2.98Å
863	N	56.7	Low	67.8	Low	27 Å²	27	71.9 Å²	71.9	14%	0.144	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-87.1	-17.4	-176.7	-62.2	-20.7	0	0	0	113.9	N85 I302 F859 E860 H861	N85-N863 PolarHBondContact OD1-ND2 3.28Å; I302-N863 VanDerWaalsContact CG2-OD1 3.25Å; I302-N863 WeakPolarHBondContact CG2-OD1 3.49Å; F859-N863 PolarHBondContact O-ND2 3.4Å; E860-N863 WeakPolarHBondContact O-CB 3.31Å; E860-N863 PolarHBondContact O-N 2.84Å; H861-N863 PolarHBondContact O-N 2.87Å
864	S	53.4	Low	66.2	Low	50 Å²	50	72.5 Å²	72.5	35%	0.35	39%	0.392	S	S	.	.			trans	-88.9	119.5	177	49.1	0	0	0	0	111.1	R305 H861 V866	R305-S864 PolarHBondContact NH1-O 3.1Å; H861-S864 PolarHBondContact O-N 3.47Å; H861-S864 PolarHBondContact O-OG 3.05Å; H861-S864 VanDerWaalsContact O-OG 3.12Å; S864-V866 PolarHBondContact O-N 3.24Å; S864-V866 VanDerWaalsContact O-N 3.15Å
865	L	49.7	Very low	64.4	Low	50 Å²	50	76.2 Å²	76.2	26%	0.262	41%	0.413	S	S	.	.			trans	-63.8	-13.5	174.6	-73.8	169	0	0	0	113.7	R298 F301 D867	R298-L865 HydrophobicContact CG-CD1 4.23Å; R298-L865 HydrophobicContact CG-CD2 4.49Å; R298-L865 HydrophobicContact CG-CG 4.44Å; F301-L865 HydrophobicContact CB-CD2 4.42Å; F301-L865 HydrophobicContact CD2-CD2 4.12Å; F301-L865 HydrophobicContact CG-CD2 4.4Å; L865-D867 PolarHBondContact O-N 3.32Å
866	V	45.2	Very low	62.4	Low	106 Å²	106	75.2 Å²	75.2	64%	0.642	40%	0.403	S	S	*	.			trans	-78.1	88.4	179.2	-171.3	0	0	0	0	108.9	S864 N868	S864-V866 PolarHBondContact O-N 3.24Å; S864-V866 VanDerWaalsContact O-N 3.15Å; V866-N868 PolarHBondContact O-N 3Å
867	D	35	Very low	59.9	Low	94 Å²	94	78.3 Å²	78.3	50%	0.503	42%	0.416	S	S	.	.			trans	-69.5	101.8	157	-74.3	-22.8	0	0	0	106.8	R305 L865	R305-D867 IonicContact CZ-OD1 3.82Å; R305-D867 IonicContact CZ-OD2 2.81Å; R305-D867 IonicContact NH1-OD1 2.66Å; R305-D867 IonicContact NH2-OD1 2.69Å; R305-D867 PolarHBondContact NH2-OD1 3.34Å; R305-D867 IonicContact NH2-OD2 2.96Å; R305-D867 PolarHBondContact NH2-OD2 3.48Å; L865-D867 PolarHBondContact O-N 3.32Å
868	N	32.4	Very low	57.1	Low	221 Å²	221	82.5 Å²	82.5	100%	1.182	44%	0.441	S	S	*	.			trans	-91.4	0	153.9	-90	-6	0	0	0	108.5	V866	V866-N868 PolarHBondContact O-N 3Å

Retrieved 868 of 868 residues in 353.7 ms (Link to these results)

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